| 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 | 46 | Very low | 51.5 | Low | 191 Ų | 191 | 107 Ų | 107 | 94% | 0.941 | 57% | 0.572 | S | S | * | * | 0 | -43.4 | 0 | -82.9 | -162.2 | -79.2 | 0 | 0 | 112.4 | D3 W4 F5 | M1-D3 PolarHBondContact O-N 3.14Å; M1-W4 PolarHBondContact O-N 3.21Å; M1-F5 PolarHBondContact O-N 3.35Å | |||
| 2 | A | 45.3 | Very low | 51.5 | Low | 76 Ų | 76 | 103.4 Ų | 103.4 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W4 F5 T6 | A2-W4 VanDerWaalsContact C-N 3.28Å; A2-W4 PolarHBondContact O-N 3.29Å; A2-F5 PolarHBondContact O-N 2.99Å; A2-T6 WeakPolarHBondContact O-CG2 3.4Å; A2-T6 PolarHBondContact O-N 3.45Å; A2-T6 PolarHBondContact O-OG1 3.25Å |
| 3 | D | 44.9 | Very low | 51.3 | Low | 138 Ų | 138 | 105 Ų | 105 | 74% | 0.738 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.1 | -22.8 | 176.9 | -70.5 | -37.3 | 0 | 0 | 0 | 114.5 | M1 T6 S7 | M1-D3 PolarHBondContact O-N 3.14Å; D3-T6 WeakPolarHBondContact CA-OG1 3.08Å; D3-T6 PolarHBondContact O-OG1 3.22Å; D3-S7 WeakPolarHBondContact O-CB 3.37Å; D3-S7 PolarHBondContact O-N 3.14Å |
| 4 | W | 51.2 | Low | 50.8 | Low | 182 Ų | 182 | 108 Ų | 108 | 69% | 0.689 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -81.1 | -36.1 | 176.8 | -160 | 49.4 | 0 | 0 | 0 | 110.7 | M1 A2 I8 | M1-W4 PolarHBondContact O-N 3.21Å; A2-W4 VanDerWaalsContact C-N 3.28Å; A2-W4 PolarHBondContact O-N 3.29Å; W4-I8 HydrophobicContact CD2-CD1 3.84Å; W4-I8 HydrophobicContact CE3-CD1 4.12Å; W4-I8 HydrophobicContact CG-CD1 4.25Å; W4-I8 HydrophobicContact CH2-CD1 4.45Å; W4-I8 HydrophobicContact CZ2-CD1 4.18Å; W4-I8 HydrophobicContact CZ3-CD1 4.42Å; W4-I8 WeakPolarHBondContact O-CB 3.31Å; W4-I8 WeakPolarHBondContact O-CD1 3.38Å; W4-I8 VanDerWaalsContact O-CG1 3.23Å; W4-I8 WeakPolarHBondContact O-CG1 3.22Å; W4-I8 PolarHBondContact O-N 2.78Å |
| 5 | F | 49.9 | Very low | 50.4 | Low | 129 Ų | 129 | 108.7 Ų | 108.7 | 57% | 0.566 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.4 | -38.8 | 173.8 | -93.4 | -83.3 | 0 | 0 | 0 | 113 | M1 A2 S7 I8 I9 | M1-F5 PolarHBondContact O-N 3.35Å; A2-F5 PolarHBondContact O-N 2.99Å; F5-S7 VanDerWaalsContact C-N 3.35Å; F5-I8 PolarHBondContact O-N 3.45Å; F5-I9 VanDerWaalsContact O-CB 3.31Å; F5-I9 WeakPolarHBondContact O-CB 3.36Å; F5-I9 WeakPolarHBondContact O-CD1 3.36Å; F5-I9 WeakPolarHBondContact O-CG1 3.39Å; F5-I9 PolarHBondContact O-N 2.92Å |
| 6 | T | 53.6 | Low | 49.8 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -35.9 | 175.2 | 52.5 | 0 | 0 | 0 | 0 | 112 | A2 D3 A10 | A2-T6 WeakPolarHBondContact O-CG2 3.4Å; A2-T6 PolarHBondContact O-N 3.45Å; A2-T6 PolarHBondContact O-OG1 3.25Å; D3-T6 WeakPolarHBondContact CA-OG1 3.08Å; D3-T6 PolarHBondContact O-OG1 3.22Å; T6-A10 VanDerWaalsContact O-CB 3.27Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 2.72Å |
| 7 | S | 53.5 | Low | 49.3 | Very low | 65 Ų | 65 | 111.5 Ų | 111.5 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.2 | -40.9 | 175.8 | -144.5 | 0 | 0 | 0 | 0 | 111.9 | D3 F5 A10 I11 | D3-S7 WeakPolarHBondContact O-CB 3.37Å; D3-S7 PolarHBondContact O-N 3.14Å; F5-S7 VanDerWaalsContact C-N 3.35Å; S7-A10 PolarHBondContact O-N 3.14Å; S7-I11 WeakPolarHBondContact O-CB 3.4Å; S7-I11 WeakPolarHBondContact O-CD1 3.39Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 2.86Å |
| 8 | I | 59.4 | Low | 49.4 | Very low | 68 Ų | 68 | 112.7 Ų | 112.7 | 35% | 0.349 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.8 | -40.3 | 174 | -68.4 | 166.3 | 0 | 0 | 0 | 111 | W4 F5 A10 I11 V12 | W4-I8 HydrophobicContact CD2-CD1 3.84Å; W4-I8 HydrophobicContact CE3-CD1 4.12Å; W4-I8 HydrophobicContact CG-CD1 4.25Å; W4-I8 HydrophobicContact CH2-CD1 4.45Å; W4-I8 HydrophobicContact CZ2-CD1 4.18Å; W4-I8 HydrophobicContact CZ3-CD1 4.42Å; W4-I8 WeakPolarHBondContact O-CB 3.31Å; W4-I8 WeakPolarHBondContact O-CD1 3.38Å; W4-I8 VanDerWaalsContact O-CG1 3.23Å; W4-I8 WeakPolarHBondContact O-CG1 3.22Å; W4-I8 PolarHBondContact O-N 2.78Å; F5-I8 PolarHBondContact O-N 3.45Å; I8-A10 VanDerWaalsContact C-N 3.35Å; I8-I11 PolarHBondContact O-N 2.79Å; I8-V12 HydrophobicContact CG2-CG2 4.07Å; I8-V12 VanDerWaalsContact O-CB 3.26Å; I8-V12 WeakPolarHBondContact O-CB 3.44Å; I8-V12 WeakPolarHBondContact O-CG2 3.32Å; I8-V12 PolarHBondContact O-N 2.84Å |
| 9 | I | 57 | Low | 49.6 | Very low | 96 Ų | 96 | 111 Ų | 111 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -37.1 | 175.6 | -68.8 | 164.4 | 0 | 0 | 0 | 110.8 | F5 M13 | F5-I9 VanDerWaalsContact O-CB 3.31Å; F5-I9 WeakPolarHBondContact O-CB 3.36Å; F5-I9 WeakPolarHBondContact O-CD1 3.36Å; F5-I9 WeakPolarHBondContact O-CG1 3.39Å; F5-I9 PolarHBondContact O-N 2.92Å; I9-M13 HydrophobicContact CG2-CG 4.19Å; I9-M13 WeakPolarHBondContact O-CB 3.33Å; I9-M13 WeakPolarHBondContact O-CG 3Å; I9-M13 PolarHBondContact O-N 3.02Å |
| 10 | A | 50.7 | Low | 50.2 | Low | 52 Ų | 52 | 111 Ų | 111 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.5 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T6 S7 I8 M14 | T6-A10 VanDerWaalsContact O-CB 3.27Å; T6-A10 WeakPolarHBondContact O-CB 3.48Å; T6-A10 PolarHBondContact O-N 2.72Å; S7-A10 PolarHBondContact O-N 3.14Å; I8-A10 VanDerWaalsContact C-N 3.35Å; A10-M14 WeakPolarHBondContact O-CB 3.07Å; A10-M14 WeakPolarHBondContact O-CG 3.48Å; A10-M14 PolarHBondContact O-N 2.88Å |
| 11 | I | 55.4 | Low | 51.1 | Low | 94 Ų | 94 | 105.7 Ų | 105.7 | 48% | 0.482 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -40.5 | 175.4 | -69.6 | 163.6 | 0 | 0 | 0 | 110.8 | S7 I8 M14 L15 | S7-I11 WeakPolarHBondContact O-CB 3.4Å; S7-I11 WeakPolarHBondContact O-CD1 3.39Å; S7-I11 WeakPolarHBondContact O-CG1 3.4Å; S7-I11 PolarHBondContact O-N 2.86Å; I8-I11 PolarHBondContact O-N 2.79Å; I11-M14 PolarHBondContact O-N 3.19Å; I11-L15 HydrophobicContact CG2-CD1 3.71Å; I11-L15 HydrophobicContact CG2-CG 4.42Å; I11-L15 VanDerWaalsContact O-CB 3.29Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 WeakPolarHBondContact O-CD1 3.4Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.88Å |
| 12 | V | 51.7 | Low | 53.1 | Low | 64 Ų | 64 | 97 Ų | 97 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | I8 M14 L15 F16 | I8-V12 HydrophobicContact CG2-CG2 4.07Å; I8-V12 VanDerWaalsContact O-CB 3.26Å; I8-V12 WeakPolarHBondContact O-CB 3.44Å; I8-V12 WeakPolarHBondContact O-CG2 3.32Å; I8-V12 PolarHBondContact O-N 2.84Å; V12-M14 PolarHBondContact O-N 3.26Å; V12-L15 PolarHBondContact O-N 2.99Å; V12-F16 HydrophobicContact CG1-CD2 3.72Å; V12-F16 HydrophobicContact CG1-CE2 3.96Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 VanDerWaalsContact O-CD2 3.31Å; V12-F16 WeakPolarHBondContact O-CD2 3.48Å; V12-F16 PolarHBondContact O-N 2.85Å |
| 13 | M | 48.1 | Very low | 55.3 | Low | 124 Ų | 124 | 93.4 Ų | 93.4 | 61% | 0.611 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -36.2 | 173.5 | -74.1 | -75.3 | -132.8 | 0 | 0 | 112.1 | I9 T17 | I9-M13 HydrophobicContact CG2-CG 4.19Å; I9-M13 WeakPolarHBondContact O-CB 3.33Å; I9-M13 WeakPolarHBondContact O-CG 3Å; I9-M13 PolarHBondContact O-N 3.02Å; M13-T17 WeakPolarHBondContact O-CB 3.36Å; M13-T17 WeakPolarHBondContact O-CG2 3.43Å; M13-T17 PolarHBondContact O-N 3.2Å; M13-T17 VanDerWaalsContact O-N 3.17Å; M13-T17 PolarHBondContact O-OG1 3.05Å |
| 14 | M | 44.3 | Very low | 57.6 | Low | 147 Ų | 147 | 88 Ų | 88 | 72% | 0.724 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.9 | -31.3 | 172.1 | -79.4 | -156.6 | 176.7 | 0 | 0 | 113.2 | A10 I11 V12 | A10-M14 WeakPolarHBondContact O-CB 3.07Å; A10-M14 WeakPolarHBondContact O-CG 3.48Å; A10-M14 PolarHBondContact O-N 2.88Å; I11-M14 PolarHBondContact O-N 3.19Å; V12-M14 PolarHBondContact O-N 3.26Å |
| 15 | L | 44.3 | Very low | 59.6 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 62% | 0.618 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -74.6 | -30.6 | 175.1 | -77 | 163.1 | 0 | 0 | 0 | 112.4 | I11 V12 | I11-L15 HydrophobicContact CG2-CD1 3.71Å; I11-L15 HydrophobicContact CG2-CG 4.42Å; I11-L15 VanDerWaalsContact O-CB 3.29Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 WeakPolarHBondContact O-CD1 3.4Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.88Å; V12-L15 PolarHBondContact O-N 2.99Å |
| 16 | F | 41.9 | Very low | 61.8 | Low | 174 Ų | 174 | 73.8 Ų | 73.8 | 76% | 0.763 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -91.6 | -5.7 | 178.7 | -84.3 | -81.6 | 0 | 0 | 0 | 114.7 | V12 | V12-F16 HydrophobicContact CG1-CD2 3.72Å; V12-F16 HydrophobicContact CG1-CE2 3.96Å; V12-F16 WeakPolarHBondContact O-CB 3.47Å; V12-F16 VanDerWaalsContact O-CD2 3.31Å; V12-F16 WeakPolarHBondContact O-CD2 3.48Å; V12-F16 PolarHBondContact O-N 2.85Å |
| 17 | T | 41.6 | Very low | 63.7 | Low | 91 Ų | 91 | 69.7 Ų | 69.7 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | trans | -111.2 | 20.5 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | M13 V19 | M13-T17 WeakPolarHBondContact O-CB 3.36Å; M13-T17 WeakPolarHBondContact O-CG2 3.43Å; M13-T17 PolarHBondContact O-N 3.2Å; M13-T17 VanDerWaalsContact O-N 3.17Å; M13-T17 PolarHBondContact O-OG1 3.05Å; T17-V19 PolarHBondContact O-N 3.47Å | ||
| 18 | Q | 49.8 | Very low | 65.6 | Low | 134 Ų | 134 | 67.6 Ų | 67.6 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | trans | -70.3 | 86.2 | 156.3 | -68.5 | -168.6 | 1.1 | 0 | 0 | 107.1 | L20 | Q18-L20 HydrophobicContact CB-CD2 4.46Å; Q18-L20 PolarHBondContact O-N 3.02Å | ||
| 19 | V | 53.1 | Low | 67.3 | Low | 80 Ų | 80 | 64.4 Ų | 64.4 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | trans | -54.2 | 94.7 | 159.2 | 176.9 | 0 | 0 | 0 | 0 | 105.3 | T17 G21 T100 | T17-V19 PolarHBondContact O-N 3.47Å; V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 2.84Å; V19-T100 PolarHBondContact O-OG1 3.3Å | ||
| 20 | L | 62 | Low | 69 | Low | 110 Ų | 110 | 62.9 Ų | 62.9 | 58% | 0.576 | 33% | 0.331 | S | S | * | . | trans | -71.2 | 90.3 | -177.8 | -71 | 167.6 | 0 | 0 | 0 | 107.3 | Q18 N98 | Q18-L20 HydrophobicContact CB-CD2 4.46Å; Q18-L20 PolarHBondContact O-N 3.02Å; L20-N98 VanDerWaalsContact CD2-O 3.31Å; L20-N98 WeakPolarHBondContact CD2-O 3.36Å | ||
| 21 | G | 70.4 | Confident | 71 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | trans | -63.2 | 138.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V19 N98 F99 T175 C176 | V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 2.84Å; G21-N98 CarbonylContact O-C 3.44Å; G21-F99 CarbonylContact O-C 3.59Å; G21-F99 PolarHBondContact O-N 2.77Å; G21-F99 VanDerWaalsContact O-N 3.12Å; G21-T175 WeakPolarHBondContact CA-O 3.2Å; G21-C176 CarbonylContact C-O 3.55Å; G21-C176 WeakPolarHBondContact CA-O 3.48Å | ||
| 22 | S | 87.4 | Confident | 72.9 | Confident | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | trans | -116.2 | 107.1 | 173.3 | -163.9 | 0 | 0 | 0 | 0 | 109.7 | L97 K168 C176 | S22-L97 WeakPolarHBondContact CA-O 3.49Å; S22-K168 PolarHBondContact O-N 2.89Å; S22-K168 WeakPolarHBondContact OG-CD 3.22Å; S22-C176 PolarHBondContact N-O 2.74Å; S22-C176 VanDerWaalsContact O-CB 3.32Å; S22-C176 WeakPolarHBondContact O-CB 3.09Å | ||
| 23 | S | 90.4 | Very high | 74.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 162.6 | -179.5 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | L97 V166 | S23-L97 PolarHBondContact N-O 3.18Å; S23-L97 VanDerWaalsContact N-O 3.11Å; S23-L97 PolarHBondContact O-N 2.81Å; S23-V166 CarbonylContact C-O 3.58Å; S23-V166 VanDerWaalsContact CA-O 3.29Å; S23-V166 WeakPolarHBondContact CA-O 3.49Å; S23-V166 WeakPolarHBondContact CB-O 3.25Å |
| 24 | V | 93.5 | Very high | 76.9 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.3 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 108 | E26 R94 I165 V166 | V24-E26 HydrophobicContact CG1-CG 4Å; V24-R94 HydrophobicContact CG1-CB 3.85Å; V24-R94 HydrophobicContact CG1-CG 4.23Å; V24-I165 WeakPolarHBondContact O-CA 3.38Å; V24-V166 HydrophobicContact CB-CG2 4.46Å; V24-V166 PolarHBondContact N-O 3.5Å; V24-V166 PolarHBondContact O-N 2.82Å |
| 25 | F | 94.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 117.5 | 169.9 | -166 | -85.5 | 0 | 0 | 0 | 108 | I27 L58 L95 L97 W101 F105 L107 L139 Y163 I165 | F25-I27 HydrophobicContact CD1-CD1 3.87Å; F25-I27 HydrophobicContact CD1-CG1 3.7Å; F25-I27 HydrophobicContact CE1-CD1 3.7Å; F25-I27 HydrophobicContact CE1-CG1 3.45Å; F25-I27 VanDerWaalsContact CE1-CG1 3.45Å; F25-L58 HydrophobicContact CB-CD2 3.92Å; F25-L58 HydrophobicContact CD1-CD1 4.31Å; F25-L58 HydrophobicContact CD1-CD2 3.98Å; F25-L58 HydrophobicContact CD2-CD2 4.01Å; F25-L58 HydrophobicContact CE1-CD1 4.03Å; F25-L58 HydrophobicContact CE2-CD1 4.3Å; F25-L58 HydrophobicContact CG-CD2 3.7Å; F25-L58 HydrophobicContact CZ-CD1 4.05Å; F25-L95 HydrophobicContact CB-CB 4.34Å; F25-L95 PolarHBondContact N-O 2.82Å; F25-L95 PolarHBondContact O-N 2.8Å; F25-L97 HydrophobicContact CB-CD1 4.4Å; F25-W101 AromaticContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CZ2 4.48Å; F25-W101 HydrophobicContact CD2-CZ3 4.07Å; F25-W101 AromaticContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CZ2 4.31Å; F25-W101 HydrophobicContact CE2-CZ3 4.49Å; F25-F105 HydrophobicContact CE2-CD1 4.36Å; F25-F105 HydrophobicContact CE2-CD2 4.38Å; F25-F105 HydrophobicContact CE2-CE1 4.18Å; F25-F105 HydrophobicContact CE2-CE2 4.2Å; F25-F105 HydrophobicContact CE2-CG 4.46Å; F25-F105 HydrophobicContact CE2-CZ 4.09Å; F25-F105 HydrophobicContact CZ-CD2 4.17Å; F25-F105 HydrophobicContact CZ-CE1 4.37Å; F25-F105 AromaticContact CZ-CE2 3.71Å; F25-F105 HydrophobicContact CZ-CE2 3.71Å; F25-F105 AromaticContact CZ-CZ 3.82Å; F25-F105 HydrophobicContact CZ-CZ 3.82Å; F25-L107 HydrophobicContact CE1-CD2 4.44Å; F25-L139 HydrophobicContact CE2-CD2 3.78Å; F25-L139 HydrophobicContact CZ-CD2 4.48Å; F25-Y163 HydrophobicContact CE1-CG 4.47Å; F25-Y163 AromaticContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CG 4.02Å; F25-I165 HydrophobicContact CD2-CB 4Å; F25-I165 HydrophobicContact CD2-CD1 4.34Å; F25-I165 HydrophobicContact CD2-CG1 4.4Å |
| 26 | E | 94.9 | Very high | 80.9 | Confident | 13 Ų | 13 | 50 Ų | 50 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.2 | -177.3 | -58.9 | -164.5 | 131.4 | 0 | 0 | 109.8 | V24 T92 V93 R94 W145 Y163 R164 V166 | V24-E26 HydrophobicContact CG1-CG 4Å; E26-T92 HydrophobicContact CB-CG2 3.9Å; E26-V93 WeakPolarHBondContact CA-O 3.48Å; E26-R94 HydrophobicContact CG-CG 4.25Å; E26-R94 IonicContact OE1-CZ 3.54Å; E26-R94 IonicContact OE1-NE 3.9Å; E26-R94 PolarHBondContact OE1-NE 2.79Å; E26-R94 IonicContact OE1-NH2 3.71Å; E26-W145 HydrophobicContact CB-CH2 3.76Å; E26-W145 HydrophobicContact CB-CZ3 4.23Å; E26-Y163 CarbonylContact O-C 3.56Å; E26-Y163 WeakPolarHBondContact O-CA 3.24Å; E26-Y163 WeakPolarHBondContact O-CB 3.12Å; E26-R164 HydrophobicContact CB-CG 4.16Å; E26-R164 PolarHBondContact N-O 3.37Å; E26-R164 PolarHBondContact O-N 2.03Å; E26-R164 IonicContact OE2-CZ 3.23Å; E26-R164 VanDerWaalsContact OE2-CZ 3.25Å; E26-R164 IonicContact OE2-NE 3.14Å; E26-R164 PolarHBondContact OE2-NE 2.93Å; E26-R164 IonicContact OE2-NH2 2.86Å; E26-R164 PolarHBondContact OE2-NH2 2.68Å; E26-V166 HydrophobicContact CG-CG2 4.37Å |
| 27 | I | 94.4 | Very high | 83 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.2 | 177.1 | -58.5 | 158.9 | 0 | 0 | 0 | 108 | F25 L29 V56 T92 V93 L107 I109 Y161 S162 | F25-I27 HydrophobicContact CD1-CD1 3.87Å; F25-I27 HydrophobicContact CD1-CG1 3.7Å; F25-I27 HydrophobicContact CE1-CD1 3.7Å; F25-I27 HydrophobicContact CE1-CG1 3.45Å; F25-I27 VanDerWaalsContact CE1-CG1 3.45Å; I27-L29 HydrophobicContact CG2-CD2 4.09Å; I27-V56 HydrophobicContact CD1-CB 4.39Å; I27-V56 HydrophobicContact CD1-CG1 3.23Å; I27-V56 HydrophobicContact CD1-CG2 4.34Å; I27-T92 CarbonylContact O-C 3.53Å; I27-T92 VanDerWaalsContact O-CA 3.29Å; I27-T92 WeakPolarHBondContact O-CA 3.48Å; I27-T92 WeakPolarHBondContact O-CG2 3.5Å; I27-V93 HydrophobicContact CB-CB 4.45Å; I27-V93 PolarHBondContact N-O 3.01Å; I27-V93 PolarHBondContact O-N 3.38Å; I27-L107 HydrophobicContact CD1-CD1 3.81Å; I27-L107 HydrophobicContact CD1-CD2 4.31Å; I27-I109 HydrophobicContact CG2-CD1 4.41Å; I27-Y161 HydrophobicContact CG2-CD2 4.47Å; I27-S162 CarbonylContact C-O 3.58Å; I27-S162 WeakPolarHBondContact CA-O 3.32Å |
| 28 | D | 93.8 | Very high | 85.2 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.5 | 177.5 | -160.4 | 34.3 | 0 | 0 | 0 | 109.4 | H30 T92 W145 Y161 S162 | D28-H30 IonicContact OD2-CE1 3.22Å; D28-H30 PolarHBondContact OD2-CE1 3.11Å; D28-H30 VanDerWaalsContact OD2-CE1 3.26Å; D28-H30 IonicContact OD2-ND1 2.72Å; D28-T92 PolarHBondContact OD1-OG1 2.84Å; D28-W145 HydrophobicContact CB-CH2 3.88Å; D28-W145 HydrophobicContact CB-CZ3 3.82Å; D28-Y161 CarbonylContact O-C 3.4Å; D28-Y161 WeakPolarHBondContact O-CA 3.45Å; D28-Y161 WeakPolarHBondContact O-CB 3.4Å; D28-S162 PolarHBondContact N-O 2.94Å; D28-S162 PolarHBondContact O-N 2.83Å |
| 29 | L | 93.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.9 | -178.1 | -56.3 | 177.5 | 0 | 0 | 0 | 108 | I27 F54 T77 L80 I87 I109 | I27-L29 HydrophobicContact CG2-CD2 4.09Å; L29-F54 HydrophobicContact CD1-CB 3.85Å; L29-F54 HydrophobicContact CD1-CD1 4.36Å; L29-F54 HydrophobicContact CD1-CD2 3.51Å; L29-F54 HydrophobicContact CD1-CE2 4.16Å; L29-F54 HydrophobicContact CD1-CG 3.63Å; L29-T77 HydrophobicContact CD1-CG2 3.98Å; L29-L80 HydrophobicContact CD1-CD1 4.04Å; L29-I87 HydrophobicContact CB-CD1 3.45Å; L29-I87 VanDerWaalsContact CB-CD1 3.45Å; L29-I87 HydrophobicContact CB-CG2 4.34Å; L29-I87 HydrophobicContact CD1-CD1 4.44Å; L29-I87 VanDerWaalsContact O-CB 3.22Å; L29-I87 WeakPolarHBondContact O-CB 3.5Å; L29-I87 WeakPolarHBondContact O-CG2 3.24Å; L29-I109 HydrophobicContact CD2-CD1 4.27Å |
| 30 | H | 92.9 | Very high | 88.7 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -47.1 | -173.3 | -63.4 | -61.5 | 0 | 0 | 0 | 112.6 | D28 I87 R160 S162 | D28-H30 IonicContact OD2-CE1 3.22Å; D28-H30 PolarHBondContact OD2-CE1 3.11Å; D28-H30 VanDerWaalsContact OD2-CE1 3.26Å; D28-H30 IonicContact OD2-ND1 2.72Å; H30-I87 PolarHBondContact O-N 2.02Å; H30-R160 HydrophobicContact CB-CB 4.23Å; H30-R160 WeakPolarHBondContact CB-O 3.34Å; H30-R160 PolarHBondContact N-O 2.8Å; H30-S162 PolarHBondContact NE2-OG 2.72Å |
| 31 | H | 93.9 | Very high | 89.8 | Confident | 42 Ų | 42 | 32.5 Ų | 32.5 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 138.9 | -173.2 | -176.5 | 71.6 | 0 | 0 | 0 | 110.8 | F85 S86 L159 R160 | H31-F85 PolarHBondContact ND1-O 3.05Å; H31-S86 PolarHBondContact ND1-OG 2.83Å; H31-L159 WeakPolarHBondContact O-CA 3.36Å; H31-R160 HydrophobicContact CB-CB 4.13Å; H31-R160 HydrophobicContact CB-CG 4.4Å; H31-R160 PolarHBondContact N-O 3.39Å; H31-R160 PolarHBondContact O-N 2.86Å |
| 32 | F | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.7 | 170.4 | 177.6 | -106 | 0 | 0 | 0 | 110.3 | N34 T52 F54 D83 S84 F85 A111 I130 F133 T157 E158 L159 | F32-N34 HydrophobicContact CE1-CB 3.88Å; F32-N34 HydrophobicContact CZ-CB 4.2Å; F32-T52 HydrophobicContact CD1-CG2 4.12Å; F32-T52 HydrophobicContact CE1-CG2 3.89Å; F32-T52 HydrophobicContact CZ-CG2 4.41Å; F32-F54 HydrophobicContact CB-CE1 4.48Å; F32-F54 HydrophobicContact CB-CZ 3.69Å; F32-F54 HydrophobicContact CD1-CZ 4.19Å; F32-F54 AromaticContact CD2-CE1 3.9Å; F32-F54 HydrophobicContact CD2-CE1 3.9Å; F32-F54 AromaticContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CE2-CE1 4.33Å; F32-F54 HydrophobicContact CG-CE1 4.17Å; F32-F54 AromaticContact CG-CZ 3.65Å; F32-F54 HydrophobicContact CG-CZ 3.65Å; F32-D83 WeakPolarHBondContact CD1-O 3.33Å; F32-D83 WeakPolarHBondContact CE1-O 3.23Å; F32-S84 CarbonylContact O-C 3.55Å; F32-S84 VanDerWaalsContact O-CA 3.31Å; F32-S84 WeakPolarHBondContact O-CA 3.29Å; F32-F85 HydrophobicContact CB-CE1 4.34Å; F32-F85 HydrophobicContact CB-CE2 4.4Å; F32-F85 HydrophobicContact CB-CZ 4.11Å; F32-F85 HydrophobicContact CD1-CD1 4.42Å; F32-F85 AromaticContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CZ 4.04Å; F32-F85 HydrophobicContact CG-CE1 4.46Å; F32-F85 HydrophobicContact CG-CZ 4.47Å; F32-F85 PolarHBondContact N-O 2.89Å; F32-F85 PolarHBondContact O-N 2.83Å; F32-F85 VanDerWaalsContact O-O 3.13Å; F32-A111 HydrophobicContact CE2-CB 3.81Å; F32-A111 HydrophobicContact CZ-CB 3.77Å; F32-I130 HydrophobicContact CZ-CG2 3.98Å; F32-F133 HydrophobicContact CD2-CE2 4.46Å; F32-F133 HydrophobicContact CD2-CZ 4.39Å; F32-F133 AromaticContact CE2-CE2 3.92Å; F32-F133 HydrophobicContact CE2-CE2 3.92Å; F32-F133 AromaticContact CE2-CZ 3.88Å; F32-F133 HydrophobicContact CE2-CZ 3.88Å; F32-T157 HydrophobicContact CE2-CG2 4.37Å; F32-T157 HydrophobicContact CZ-CG2 4.02Å; F32-E158 CarbonylContact C-O 3.53Å; F32-E158 WeakPolarHBondContact CA-O 3.01Å; F32-E158 WeakPolarHBondContact CD2-O 3.42Å; F32-L159 HydrophobicContact CB-CD1 4.14Å; F32-L159 HydrophobicContact CD2-CB 4.38Å; F32-L159 HydrophobicContact CD2-CD1 4Å |
| 33 | Q | 93.3 | Very high | 90.3 | Very high | 67 Ų | 67 | 43 Ų | 43 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132 | 177.9 | -156.4 | 179 | 28.2 | 0 | 0 | 109.7 | T35 S84 T157 E158 | Q33-T35 HydrophobicContact CG-CG2 3.86Å; Q33-S84 WeakPolarHBondContact CG-OG 3.33Å; Q33-T157 CarbonylContact O-C 3.55Å; Q33-T157 WeakPolarHBondContact O-CA 3.01Å; Q33-T157 WeakPolarHBondContact O-CB 3.5Å; Q33-E158 HydrophobicContact CB-CB 4.01Å; Q33-E158 PolarHBondContact N-O 3.29Å; Q33-E158 PolarHBondContact O-N 3.2Å |
| 34 | N | 91.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 90.4 | 165 | -175 | -2.3 | 0 | 0 | 0 | 108.2 | F32 K36 A37 L38 D83 S84 I130 T157 | F32-N34 HydrophobicContact CE1-CB 3.88Å; F32-N34 HydrophobicContact CZ-CB 4.2Å; N34-K36 PolarHBondContact O-N 3.09Å; N34-A37 PolarHBondContact O-N 2.86Å; N34-A37 PolarHBondContact OD1-N 2.97Å; N34-L38 PolarHBondContact ND2-N 2.84Å; N34-L38 PolarHBondContact ND2-O 3.24Å; N34-D83 WeakPolarHBondContact CB-O 3.48Å; N34-D83 PolarHBondContact N-O 2.92Å; N34-S84 PolarHBondContact N-OG 3.3Å; N34-S84 PolarHBondContact O-OG 2.93Å; N34-I130 WeakPolarHBondContact ND2-CG2 3.49Å; N34-T157 HydrophobicContact CB-CG2 4.01Å |
| 35 | T | 86.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 52% | 0.521 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21 | -170.6 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | Q33 Q156 | Q33-T35 HydrophobicContact CG-CG2 3.86Å; T35-Q156 PolarHBondContact N-O 2.91Å; T35-Q156 VanDerWaalsContact N-O 3.14Å; T35-Q156 PolarHBondContact OG1-O 3.28Å; T35-Q156 VanDerWaalsContact OG1-O 3.14Å |
| 36 | K | 85.3 | Confident | 88.9 | Confident | 133 Ų | 133 | 49.2 Ų | 49.2 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -2 | -175.3 | -62.1 | -174.5 | -178.8 | 173.5 | 0 | 113.9 | N34 L38 Q156 | N34-K36 PolarHBondContact O-N 3.09Å; K36-L38 HydrophobicContact CB-CB 4.48Å; K36-L38 HydrophobicContact CB-CD1 3.89Å; K36-L38 HydrophobicContact CB-CG 3.8Å; K36-L38 HydrophobicContact CD-CD1 4.25Å; K36-L38 WeakPolarHBondContact O-CG 3.03Å; K36-L38 PolarHBondContact O-N 2.84Å; K36-Q156 HydrophobicContact CD-CB 4.19Å; K36-Q156 HydrophobicContact CG-CB 4.4Å |
| 37 | A | 87.3 | Confident | 88 | Confident | 30 Ų | 30 | 55 Ų | 55 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | trans | 51.1 | 38.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N34 C50 D83 | N34-A37 PolarHBondContact O-N 2.86Å; N34-A37 PolarHBondContact OD1-N 2.97Å; A37-C50 PolarHBondContact O-SG 2.86Å; A37-D83 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 38 | L | 88.1 | Confident | 87.2 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 151.7 | -178.2 | -61.9 | -179.4 | 0 | 0 | 0 | 111.8 | N34 K36 R43 | N34-L38 PolarHBondContact ND2-N 2.84Å; N34-L38 PolarHBondContact ND2-O 3.24Å; K36-L38 HydrophobicContact CB-CB 4.48Å; K36-L38 HydrophobicContact CB-CD1 3.89Å; K36-L38 HydrophobicContact CB-CG 3.8Å; K36-L38 HydrophobicContact CD-CD1 4.25Å; K36-L38 WeakPolarHBondContact O-CG 3.03Å; K36-L38 PolarHBondContact O-N 2.84Å; L38-R43 WeakPolarHBondContact CA-O 3.48Å |
| 39 | L | 88.3 | Confident | 86.8 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | trans | -77.8 | 165.1 | 164.4 | -63.5 | 167.7 | 0 | 0 | 0 | 110.4 | N41 G42 R43 C45 Y113 I130 | L39-N41 WeakPolarHBondContact CB-OD1 3.17Å; L39-N41 PolarHBondContact O-N 2.91Å; L39-N41 VanDerWaalsContact O-N 3.12Å; L39-G42 PolarHBondContact O-N 2.81Å; L39-R43 WeakPolarHBondContact CB-O 3.4Å; L39-R43 HydrophobicContact CD1-CB 4.49Å; L39-R43 PolarHBondContact N-O 3.26Å; L39-C45 VanDerWaalsContact CD2-SG 3.54Å; L39-Y113 HydrophobicContact CD2-CG 4.38Å; L39-I130 HydrophobicContact CD2-CG1 3.93Å | ||
| 40 | A | 86.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G42 L129 I130 | A40-G42 VanDerWaalsContact C-N 3.28Å; A40-G42 PolarHBondContact O-N 3.48Å; A40-L129 HydrophobicContact CB-CB 4.4Å; A40-L129 HydrophobicContact CB-CD2 4.28Å; A40-L129 HydrophobicContact CB-CG 4.26Å; A40-L129 WeakPolarHBondContact CB-O 3.22Å; A40-L129 PolarHBondContact N-O 3.49Å; A40-I130 WeakPolarHBondContact CA-O 3.16Å; A40-I130 WeakPolarHBondContact CB-O 3.12Å; A40-I130 PolarHBondContact N-O 3.07Å |
| 41 | N | 84.9 | Confident | 86.3 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.8 | 175.5 | 64.9 | 17.2 | 0 | 0 | 0 | 114 | L39 R43 G127 | L39-N41 WeakPolarHBondContact CB-OD1 3.17Å; L39-N41 PolarHBondContact O-N 2.91Å; L39-N41 VanDerWaalsContact O-N 3.12Å; N41-R43 VanDerWaalsContact C-N 3.34Å; N41-R43 PolarHBondContact O-N 3.12Å; N41-R43 WeakPolarHBondContact OD1-CB 3.29Å; N41-R43 PolarHBondContact OD1-N 2.84Å; N41-G127 PolarHBondContact ND2-O 2.03Å |
| 42 | G | 83.8 | Confident | 86.2 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 80.9 | 3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L39 A40 | L39-G42 PolarHBondContact O-N 2.81Å; A40-G42 VanDerWaalsContact C-N 3.28Å; A40-G42 PolarHBondContact O-N 3.48Å |
| 43 | R | 85.8 | Confident | 86.1 | Confident | 182 Ų | 182 | 58.6 Ų | 58.6 | 69% | 0.687 | 33% | 0.331 | S | S | * | . | trans | -86.8 | 150.8 | 175.5 | -61.1 | -179.3 | 177.3 | -177.3 | -0.9 | 111.2 | L38 L39 N41 | L38-R43 WeakPolarHBondContact CA-O 3.48Å; L39-R43 WeakPolarHBondContact CB-O 3.4Å; L39-R43 HydrophobicContact CD1-CB 4.49Å; L39-R43 PolarHBondContact N-O 3.26Å; N41-R43 VanDerWaalsContact C-N 3.34Å; N41-R43 PolarHBondContact O-N 3.12Å; N41-R43 WeakPolarHBondContact OD1-CB 3.29Å; N41-R43 PolarHBondContact OD1-N 2.84Å | ||
| 44 | S | 84.8 | Confident | 86 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | B | Isolated β-bridge | trans | -70.7 | 142.5 | 171.9 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 45 | C | 82.3 | Confident | 86 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | trans | -69.6 | -49.9 | -178.6 | -62.2 | 0 | 0 | 0 | 0 | 114.1 | L39 C50 Y113 | L39-C45 VanDerWaalsContact CD2-SG 3.54Å; C45-C50 HydrophobicContact CB-CB 3.76Å; C45-C50 WeakPolarHBondContact CB-SG 3.27Å; C45-C50 WeakPolarHBondContact SG-CB 3.38Å; C45-C50 CovalentContact SG-SG 2.02Å; C45-C50 PolarHBondContact SG-SG 3.25Å; C45-Y113 HydrophobicContact CB-CD1 4.4Å; C45-Y113 HydrophobicContact CB-CD2 3.98Å; C45-Y113 HydrophobicContact CB-CE1 4.48Å; C45-Y113 HydrophobicContact CB-CE2 4.06Å; C45-Y113 HydrophobicContact CB-CG 4.17Å | ||
| 46 | S | 80.3 | Confident | 86.3 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | trans | -167.9 | 174.2 | -178.2 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | D48 | S46-D48 PolarHBondContact O-N 2.86Š| ||
| 47 | T | 76.3 | Confident | 86.7 | Confident | 134 Ų | 134 | 48.7 Ų | 48.7 | 82% | 0.822 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27 | 165.6 | 51 | 0 | 0 | 0 | 0 | 112.5 | ||
| 48 | D | 77.6 | Confident | 87 | Confident | 131 Ų | 131 | 47.2 Ų | 47.2 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 14.1 | -172.4 | -49.3 | -27.7 | 0 | 0 | 0 | 112.8 | S46 | S46-D48 PolarHBondContact O-N 2.86Š|
| 49 | G | 84.7 | Confident | 87.2 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | trans | 84.6 | 178 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R51 D83 | G49-R51 PolarHBondContact O-N 3.16Å; G49-D83 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 50 | C | 87.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -88.5 | 91.9 | -179.1 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | A37 C45 T52 S82 D83 I130 | A37-C50 PolarHBondContact O-SG 2.86Å; C45-C50 HydrophobicContact CB-CB 3.76Å; C45-C50 WeakPolarHBondContact CB-SG 3.27Å; C45-C50 WeakPolarHBondContact SG-CB 3.38Å; C45-C50 CovalentContact SG-SG 2.02Å; C45-C50 PolarHBondContact SG-SG 3.25Å; C50-T52 PolarHBondContact O-N 3.35Å; C50-T52 PolarHBondContact O-OG1 2.85Å; C50-S82 WeakPolarHBondContact O-CA 3.24Å; C50-D83 WeakPolarHBondContact CB-OD1 3.19Å; C50-D83 PolarHBondContact N-OD1 3.26Å; C50-D83 PolarHBondContact O-N 2.94Å; C50-I130 HydrophobicContact CB-CD1 4Å | ||
| 51 | R | 90.4 | Very high | 87.6 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 106.2 | 168.1 | -72.8 | 178.1 | -62.8 | -166.1 | -5.6 | 110.5 | G49 V79 Y113 S114 P115 | G49-R51 PolarHBondContact O-N 3.16Å; R51-V79 HydrophobicContact CB-CG1 3.94Å; R51-V79 HydrophobicContact CG-CG1 4.5Å; R51-Y113 HydrophobicContact CB-CD2 4.35Å; R51-Y113 HydrophobicContact CB-CE2 4.22Å; R51-Y113 PolarHBondContact NH2-OH 2.96Å; R51-Y113 WeakPolarHBondContact O-CA 2.98Å; R51-S114 VanDerWaalsContact CZ-O 3.3Å; R51-S114 PolarHBondContact NE-O 2.91Å; R51-S114 PolarHBondContact NH2-O 2.94Å; R51-S114 VanDerWaalsContact NH2-O 3.11Å; R51-S114 PolarHBondContact O-N 3.04Å; R51-P115 PolarHBondContact NH2-O 3Å |
| 52 | T | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.4 | -166.7 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | F32 C50 F54 V79 L80 G81 F85 A111 W112 I130 | F32-T52 HydrophobicContact CD1-CG2 4.12Å; F32-T52 HydrophobicContact CE1-CG2 3.89Å; F32-T52 HydrophobicContact CZ-CG2 4.41Å; C50-T52 PolarHBondContact O-N 3.35Å; C50-T52 PolarHBondContact O-OG1 2.85Å; T52-F54 HydrophobicContact CG2-CE1 4.28Å; T52-F54 HydrophobicContact CG2-CE2 4.05Å; T52-F54 HydrophobicContact CG2-CZ 3.81Å; T52-V79 WeakPolarHBondContact O-CA 3.39Å; T52-L80 PolarHBondContact O-N 3.25Å; T52-G81 PolarHBondContact N-O 2.88Å; T52-F85 HydrophobicContact CG2-CE1 4.43Å; T52-F85 HydrophobicContact CG2-CZ 4.23Å; T52-A111 HydrophobicContact CG2-CB 3.97Å; T52-W112 WeakPolarHBondContact CA-O 3.44Å; T52-I130 HydrophobicContact CG2-CD1 3.99Å; T52-I130 VanDerWaalsContact OG1-CD1 3.29Å; T52-I130 WeakPolarHBondContact OG1-CD1 3.37Å |
| 53 | Y | 91.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 158.5 | 165.1 | 75.1 | -79.5 | 0 | 0 | 0 | 109.4 | R55 P78 W112 P120 G121 | Y53-R55 HydrophobicContact CD2-CG 4.38Å; Y53-R55 HydrophobicContact CE2-CG 3.8Å; Y53-R55 PolarHBondContact OH-NE 3.43Å; Y53-R55 VanDerWaalsContact OH-NE 3.12Å; Y53-R55 PolarHBondContact OH-NH2 2.68Å; Y53-P78 WeakPolarHBondContact CB-O 3.39Å; Y53-W112 HydrophobicContact CD1-CB 3.87Å; Y53-W112 VanDerWaalsContact CD1-O 3.27Å; Y53-W112 WeakPolarHBondContact CD1-O 3.48Å; Y53-W112 HydrophobicContact CE1-CB 3.3Å; Y53-W112 HydrophobicContact CE1-CG 4.38Å; Y53-W112 HydrophobicContact CE2-CB 4.05Å; Y53-W112 HydrophobicContact CG-CB 4.45Å; Y53-W112 PolarHBondContact N-O 3.38Å; Y53-W112 PolarHBondContact O-N 2.94Å; Y53-P120 HydrophobicContact CD2-CB 3.78Å; Y53-P120 HydrophobicContact CE2-CB 3.61Å; Y53-P120 HydrophobicContact CG-CB 4.31Å; Y53-G121 PolarHBondContact OH-O 3.2Å |
| 54 | F | 92.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.1 | -175.5 | -63.2 | -87.2 | 0 | 0 | 0 | 111.5 | L29 F32 T52 S76 T77 L80 F85 I87 I109 E110 A111 L159 | L29-F54 HydrophobicContact CD1-CB 3.85Å; L29-F54 HydrophobicContact CD1-CD1 4.36Å; L29-F54 HydrophobicContact CD1-CD2 3.51Å; L29-F54 HydrophobicContact CD1-CE2 4.16Å; L29-F54 HydrophobicContact CD1-CG 3.63Å; F32-F54 HydrophobicContact CB-CE1 4.48Å; F32-F54 HydrophobicContact CB-CZ 3.69Å; F32-F54 HydrophobicContact CD1-CZ 4.19Å; F32-F54 AromaticContact CD2-CE1 3.9Å; F32-F54 HydrophobicContact CD2-CE1 3.9Å; F32-F54 AromaticContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CD2-CZ 3.87Å; F32-F54 HydrophobicContact CE2-CE1 4.33Å; F32-F54 HydrophobicContact CG-CE1 4.17Å; F32-F54 AromaticContact CG-CZ 3.65Å; F32-F54 HydrophobicContact CG-CZ 3.65Å; T52-F54 HydrophobicContact CG2-CE1 4.28Å; T52-F54 HydrophobicContact CG2-CE2 4.05Å; T52-F54 HydrophobicContact CG2-CZ 3.81Å; F54-S76 CarbonylContact O-C 3.48Å; F54-S76 VanDerWaalsContact O-CA 3.25Å; F54-S76 WeakPolarHBondContact O-CA 3.11Å; F54-T77 HydrophobicContact CB-CG2 4.06Å; F54-T77 PolarHBondContact N-OG1 3.39Å; F54-T77 PolarHBondContact O-N 3.47Å; F54-L80 HydrophobicContact CD2-CD1 3.77Å; F54-L80 HydrophobicContact CD2-CG 4.4Å; F54-L80 HydrophobicContact CE2-CD1 4Å; F54-F85 HydrophobicContact CE2-CE2 4.3Å; F54-F85 AromaticContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CZ-CZ 4.24Å; F54-I87 HydrophobicContact CE2-CD1 4.12Å; F54-I109 HydrophobicContact CB-CG2 4.35Å; F54-I109 HydrophobicContact CD1-CG2 3.86Å; F54-E110 CarbonylContact C-O 3.58Å; F54-E110 VanDerWaalsContact CA-O 3.31Å; F54-E110 WeakPolarHBondContact CA-O 3.45Å; F54-A111 HydrophobicContact CD1-CB 4.15Å; F54-A111 HydrophobicContact CE1-CB 3.79Å; F54-L159 HydrophobicContact CE1-CD1 3.76Å; F54-L159 HydrophobicContact CZ-CD1 4.07Å |
| 55 | R | 91.3 | Very high | 87.3 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.1 | 167.3 | -64 | -176.5 | -179.4 | -133.3 | -3.8 | 109 | Y53 I109 E110 G121 S123 | Y53-R55 HydrophobicContact CD2-CG 4.38Å; Y53-R55 HydrophobicContact CE2-CG 3.8Å; Y53-R55 PolarHBondContact OH-NE 3.43Å; Y53-R55 VanDerWaalsContact OH-NE 3.12Å; Y53-R55 PolarHBondContact OH-NH2 2.68Å; R55-I109 CarbonylContact O-C 3.5Å; R55-I109 WeakPolarHBondContact O-CA 3.31Å; R55-E110 HydrophobicContact CB-CB 4.42Å; R55-E110 PolarHBondContact N-O 3.19Å; R55-E110 PolarHBondContact O-N 3.08Å; R55-G121 PolarHBondContact NH2-O 3.22Å; R55-S123 PolarHBondContact NH1-OG 2.97Å; R55-S123 PolarHBondContact NH2-OG 3.41Å; R55-S123 VanDerWaalsContact NH2-OG 3.08Å |
| 56 | V | 93.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.3 | -179 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | I27 R74 G75 V93 L95 L107 | I27-V56 HydrophobicContact CD1-CB 4.39Å; I27-V56 HydrophobicContact CD1-CG1 3.23Å; I27-V56 HydrophobicContact CD1-CG2 4.34Å; V56-R74 CarbonylContact O-C 3.38Å; V56-R74 WeakPolarHBondContact O-CA 3.4Å; V56-R74 WeakPolarHBondContact O-CB 3.47Å; V56-G75 PolarHBondContact N-O 3.25Å; V56-G75 PolarHBondContact O-N 3.3Å; V56-V93 HydrophobicContact CB-CG1 4.45Å; V56-V93 HydrophobicContact CG2-CG1 4.28Å; V56-V93 HydrophobicContact CG2-CG2 4.35Å; V56-L95 HydrophobicContact CG1-CD1 3.99Å; V56-L107 HydrophobicContact CG1-CD1 3.65Å |
| 57 | C | 93.2 | Very high | 86.8 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 111.4 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | C70 V108 | C57-C70 VanDerWaalsContact CA-SG 3.57Å; C57-C70 HydrophobicContact CB-CB 4Å; C57-C70 WeakPolarHBondContact CB-SG 3.29Å; C57-C70 WeakPolarHBondContact SG-CA 3.3Å; C57-C70 WeakPolarHBondContact SG-CB 3.47Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 2.83Å; C57-V108 HydrophobicContact CB-CB 4.25Å; C57-V108 PolarHBondContact N-O 3.35Å; C57-V108 PolarHBondContact O-N 3.43Å |
| 58 | L | 94.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.7 | 177.2 | -167.3 | 69.4 | 0 | 0 | 0 | 109.8 | F25 C70 I71 F72 G73 L95 W101 F105 L107 | F25-L58 HydrophobicContact CB-CD2 3.92Å; F25-L58 HydrophobicContact CD1-CD1 4.31Å; F25-L58 HydrophobicContact CD1-CD2 3.98Å; F25-L58 HydrophobicContact CD2-CD2 4.01Å; F25-L58 HydrophobicContact CE1-CD1 4.03Å; F25-L58 HydrophobicContact CE2-CD1 4.3Å; F25-L58 HydrophobicContact CG-CD2 3.7Å; F25-L58 HydrophobicContact CZ-CD1 4.05Å; L58-C70 CarbonylContact O-C 3.55Å; L58-C70 WeakPolarHBondContact O-CA 3.39Å; L58-I71 PolarHBondContact O-N 3.48Å; L58-F72 HydrophobicContact CB-CB 4.07Å; L58-F72 HydrophobicContact CD2-CB 3.79Å; L58-F72 HydrophobicContact CD2-CD2 4.34Å; L58-F72 HydrophobicContact CG-CB 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.05Å; L58-F72 HydrophobicContact CG-CG 4.45Å; L58-F72 PolarHBondContact O-N 2.97Å; L58-G73 PolarHBondContact N-O 2.87Å; L58-G73 PolarHBondContact O-N 2.81Å; L58-L95 HydrophobicContact CB-CD1 3.83Å; L58-L95 HydrophobicContact CD2-CD1 4.26Å; L58-W101 HydrophobicContact CD2-CZ3 4.5Å; L58-F105 HydrophobicContact CD1-CB 4.16Å; L58-F105 HydrophobicContact CD1-CD2 3.51Å; L58-F105 HydrophobicContact CD1-CE2 4.26Å; L58-F105 HydrophobicContact CD1-CG 4.11Å; L58-L107 HydrophobicContact CD1-CB 4.16Å; L58-L107 HydrophobicContact CD1-CD1 4.3Å |
| 59 | K | 92 | Very high | 87.2 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.022 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 174.2 | -176.7 | 68.4 | -173.8 | 99.5 | 177.5 | 0 | 112 | S66 I71 F72 S106 | K59-S66 PolarHBondContact NZ-O 2.81Å; K59-I71 HydrophobicContact CB-CG1 3.95Å; K59-F72 VanDerWaalsContact C-CD2 3.49Å; K59-F72 VanDerWaalsContact C-CE2 3.46Å; K59-F72 WeakPolarHBondContact O-CD2 3.47Å; K59-F72 VanDerWaalsContact O-CE2 3.27Å; K59-F72 WeakPolarHBondContact O-CE2 3.25Å; K59-S106 WeakPolarHBondContact CG-O 3.47Å; K59-S106 PolarHBondContact N-O 2.82Å; K59-S106 PolarHBondContact O-N 2.83Å |
| 60 | N | 90.4 | Very high | 87.4 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 154.5 | 174.9 | 53.8 | -48.7 | 0 | 0 | 0 | 111.2 | Q62 I71 F72 S106 | N60-Q62 PolarHBondContact O-N 2.93Å; N60-I71 HydrophobicContact CB-CD1 3.52Å; N60-I71 VanDerWaalsContact OD1-CD1 3.23Å; N60-I71 WeakPolarHBondContact OD1-CD1 3.37Å; N60-F72 HydrophobicContact CB-CZ 4.1Å; N60-S106 WeakPolarHBondContact O-CB 3.42Å; N60-S106 PolarHBondContact O-OG 3.12Å |
| 61 | F | 91.6 | Very high | 87.4 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | trans | -55.6 | 131.3 | 171.7 | -175.9 | -93.1 | 0 | 0 | 0 | 111.3 | A104 S106 Q136 | F61-A104 HydrophobicContact CB-CB 3.75Å; F61-A104 HydrophobicContact CD2-CB 4.09Å; F61-A104 HydrophobicContact CG-CB 4.07Å; F61-S106 WeakPolarHBondContact CA-OG 3.45Å; F61-Q136 HydrophobicContact CD2-CB 4.08Å; F61-Q136 HydrophobicContact CE2-CB 3.79Å; F61-Q136 HydrophobicContact CE2-CG 3.89Å; F61-Q136 HydrophobicContact CZ-CG 4.37Å | ||
| 62 | Q | 86.9 | Confident | 87.4 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | trans | -128.5 | 136.3 | 174.3 | -60.3 | 179.9 | -55.4 | 0 | 0 | 108.2 | N60 E64 S66 S106 | N60-Q62 PolarHBondContact O-N 2.93Å; Q62-E64 WeakPolarHBondContact CB-O 3.22Å; Q62-E64 PolarHBondContact O-N 2.89Å; Q62-S66 PolarHBondContact NE2-OG 2.81Å; Q62-S66 VanDerWaalsContact NE2-OG 3.16Å; Q62-S66 VanDerWaalsContact OE1-N 3.12Å; Q62-S106 PolarHBondContact N-OG 3.22Å | ||
| 63 | K | 82.5 | Confident | 87.4 | Confident | 187 Ų | 187 | 63.6 Ų | 63.6 | 81% | 0.813 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.3 | -34.9 | 177 | -172 | 178.8 | 179.3 | -176.8 | 0 | 111.9 | ||
| 64 | E | 83.4 | Confident | 87.4 | Confident | 167 Ų | 167 | 73.5 Ų | 73.5 | 78% | 0.78 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -125.2 | 121.8 | 168.7 | -67.8 | -179.4 | -174.5 | 0 | 0 | 107.6 | Q62 S66 | Q62-E64 WeakPolarHBondContact CB-O 3.22Å; Q62-E64 PolarHBondContact O-N 2.89Å; E64-S66 PolarHBondContact O-N 2.81Å |
| 65 | V | 81.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | trans | -74.6 | 113.7 | -175.1 | -174.9 | 0 | 0 | 0 | 0 | 109 | V108 A134 Q136 | V65-V108 HydrophobicContact CG1-CG2 3.53Å; V65-A134 HydrophobicContact CB-CB 3.93Å; V65-A134 HydrophobicContact CG1-CB 3.82Å; V65-A134 HydrophobicContact CG2-CB 4.32Å; V65-Q136 HydrophobicContact CG2-CB 4.13Å | ||
| 66 | S | 79.1 | Confident | 87.3 | Confident | 52 Ų | 52 | 75 Ų | 75 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | trans | -110.6 | 156.5 | -177.9 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | K59 Q62 E64 G68 | K59-S66 PolarHBondContact NZ-O 2.81Å; Q62-S66 PolarHBondContact NE2-OG 2.81Å; Q62-S66 VanDerWaalsContact NE2-OG 3.16Å; Q62-S66 VanDerWaalsContact OE1-N 3.12Å; E64-S66 PolarHBondContact O-N 2.81Å; S66-G68 PolarHBondContact O-N 2.87Å | ||
| 67 | P | 71.8 | Confident | 87.2 | Confident | 135 Ų | 135 | 75.3 Ų | 75.3 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -57.2 | 133.9 | 167.8 | -21 | 32.4 | 0 | 0 | 0 | 110.1 | ||
| 68 | G | 76.9 | Confident | 87 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | trans | 179.3 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S66 | S66-G68 PolarHBondContact O-N 2.87Š| ||
| 69 | R | 85.1 | Confident | 86.7 | Confident | 225 Ų | 225 | 80.1 Ų | 80.1 | 85% | 0.849 | 42% | 0.421 | S | S | * | . | trans | -68.5 | 139.3 | -179.6 | -67.3 | -175.2 | 178.3 | -175.4 | -0.2 | 111.4 | I71 | R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 HydrophobicContact CB-CG2 4.37Å; R69-I71 PolarHBondContact O-N 3.26Å | ||
| 70 | C | 90.2 | Very high | 86.6 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 28% | 0.284 | 43% | 0.43 | S | S | . | . | trans | -81.3 | 75.9 | 175.8 | -42.8 | 0 | 0 | 0 | 0 | 109.9 | C57 L58 F72 G73 R74 | C57-C70 VanDerWaalsContact CA-SG 3.57Å; C57-C70 HydrophobicContact CB-CB 4Å; C57-C70 WeakPolarHBondContact CB-SG 3.29Å; C57-C70 WeakPolarHBondContact SG-CA 3.3Å; C57-C70 WeakPolarHBondContact SG-CB 3.47Å; C57-C70 CovalentContact SG-SG 2.03Å; C57-C70 PolarHBondContact SG-SG 2.83Å; L58-C70 CarbonylContact O-C 3.55Å; L58-C70 WeakPolarHBondContact O-CA 3.39Å; C70-F72 VanDerWaalsContact C-N 3.25Å; C70-F72 PolarHBondContact O-N 3.03Å; C70-G73 VanDerWaalsContact CB-O 3.25Å; C70-G73 WeakPolarHBondContact CB-O 3.31Å; C70-G73 PolarHBondContact O-N 2.88Å; C70-R74 HydrophobicContact CB-CB 4Å | ||
| 71 | I | 87.8 | Confident | 86.6 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -64.3 | -26.3 | -170.1 | 57.6 | 158.8 | 0 | 0 | 0 | 114.1 | L58 K59 N60 R69 | L58-I71 PolarHBondContact O-N 3.48Å; K59-I71 HydrophobicContact CB-CG1 3.95Å; N60-I71 HydrophobicContact CB-CD1 3.52Å; N60-I71 VanDerWaalsContact OD1-CD1 3.23Å; N60-I71 WeakPolarHBondContact OD1-CD1 3.37Å; R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 HydrophobicContact CB-CG2 4.37Å; R69-I71 PolarHBondContact O-N 3.26Å |
| 72 | F | 90 | Very high | 86.5 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -92.2 | -18.8 | 178 | -62.1 | -21.2 | 0 | 0 | 0 | 111.8 | L58 K59 N60 C70 L97 F99 W101 P102 F105 | L58-F72 HydrophobicContact CB-CB 4.07Å; L58-F72 HydrophobicContact CD2-CB 3.79Å; L58-F72 HydrophobicContact CD2-CD2 4.34Å; L58-F72 HydrophobicContact CG-CB 3.8Å; L58-F72 HydrophobicContact CG-CD2 4.05Å; L58-F72 HydrophobicContact CG-CG 4.45Å; L58-F72 PolarHBondContact O-N 2.97Å; K59-F72 VanDerWaalsContact C-CD2 3.49Å; K59-F72 VanDerWaalsContact C-CE2 3.46Å; K59-F72 WeakPolarHBondContact O-CD2 3.47Å; K59-F72 VanDerWaalsContact O-CE2 3.27Å; K59-F72 WeakPolarHBondContact O-CE2 3.25Å; N60-F72 HydrophobicContact CB-CZ 4.1Å; C70-F72 VanDerWaalsContact C-N 3.25Å; C70-F72 PolarHBondContact O-N 3.03Å; F72-L97 HydrophobicContact CB-CD2 4.05Å; F72-L97 WeakPolarHBondContact O-CD2 3.4Å; F72-F99 HydrophobicContact CB-CZ 3.98Å; F72-F99 HydrophobicContact CD1-CE1 4.18Å; F72-F99 AromaticContact CD1-CE2 3.73Å; F72-F99 HydrophobicContact CD1-CE2 3.73Å; F72-F99 AromaticContact CD1-CZ 3.26Å; F72-F99 HydrophobicContact CD1-CZ 3.26Å; F72-F99 AromaticContact CE1-CE2 3.85Å; F72-F99 HydrophobicContact CE1-CE2 3.85Å; F72-F99 AromaticContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CG-CE2 4.35Å; F72-F99 AromaticContact CG-CZ 3.75Å; F72-F99 HydrophobicContact CG-CZ 3.75Å; F72-W101 HydrophobicContact CD2-CZ3 4.5Å; F72-P102 HydrophobicContact CE1-CG 4.47Å; F72-P102 HydrophobicContact CE2-CG 3.85Å; F72-P102 HydrophobicContact CZ-CG 3.61Å; F72-F105 HydrophobicContact CE2-CB 4.39Å |
| 73 | G | 90.2 | Very high | 86.6 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.6 | 165 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L58 C70 | L58-G73 PolarHBondContact N-O 2.87Å; L58-G73 PolarHBondContact O-N 2.81Å; C70-G73 VanDerWaalsContact CB-O 3.25Å; C70-G73 WeakPolarHBondContact CB-O 3.31Å; C70-G73 PolarHBondContact O-N 2.88Å |
| 74 | R | 92 | Very high | 87.1 | Confident | 210 Ų | 210 | 70.8 Ų | 70.8 | 79% | 0.792 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148 | 174 | 64.5 | -179 | 176.9 | -171.7 | -1.2 | 110 | V56 C70 L95 | V56-R74 CarbonylContact O-C 3.38Å; V56-R74 WeakPolarHBondContact O-CA 3.4Å; V56-R74 WeakPolarHBondContact O-CB 3.47Å; C70-R74 HydrophobicContact CB-CB 4Å; R74-L95 VanDerWaalsContact C-CD2 3.5Å |
| 75 | G | 90.6 | Very high | 87.6 | Confident | 19 Ų | 19 | 64 Ų | 64 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V56 | V56-G75 PolarHBondContact N-O 3.25Å; V56-G75 PolarHBondContact O-N 3.3Å |
| 76 | S | 90.1 | Very high | 88 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.6 | 173.4 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | F54 | F54-S76 CarbonylContact O-C 3.48Å; F54-S76 VanDerWaalsContact O-CA 3.25Å; F54-S76 WeakPolarHBondContact O-CA 3.11Å |
| 77 | T | 90.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | trans | -85.2 | 160.8 | 173.3 | 71.2 | 0 | 0 | 0 | 0 | 110.1 | L29 F54 L80 V93 | L29-T77 HydrophobicContact CD1-CG2 3.98Å; F54-T77 HydrophobicContact CB-CG2 4.06Å; F54-T77 PolarHBondContact N-OG1 3.39Å; F54-T77 PolarHBondContact O-N 3.47Å; T77-L80 HydrophobicContact CG2-CD1 4.14Å; T77-V93 HydrophobicContact CG2-CG2 3.66Å | ||
| 78 | P | 89.3 | Confident | 88.9 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | trans | -63 | 175.8 | 156.6 | 29.2 | -33.7 | 0 | 0 | 0 | 110.7 | Y53 L80 | Y53-P78 WeakPolarHBondContact CB-O 3.39Å; P78-L80 HydrophobicContact CG-CD2 4.02Å; P78-L80 WeakPolarHBondContact O-CG 3.44Å; P78-L80 PolarHBondContact O-N 2.79Å | ||
| 79 | V | 89.1 | Confident | 88.1 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | trans | -63.6 | 120.5 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | R51 T52 | R51-V79 HydrophobicContact CB-CG1 3.94Å; R51-V79 HydrophobicContact CG-CG1 4.5Å; T52-V79 WeakPolarHBondContact O-CA 3.39Å | ||
| 80 | L | 90.1 | Very high | 87.3 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 20% | 0.199 | 38% | 0.382 | C | S | . | . | trans | -99.8 | -20.5 | -173 | -62 | -171.5 | 0 | 0 | 0 | 113.4 | L29 T52 F54 T77 P78 F85 I87 T91 | L29-L80 HydrophobicContact CD1-CD1 4.04Å; T52-L80 PolarHBondContact O-N 3.25Å; F54-L80 HydrophobicContact CD2-CD1 3.77Å; F54-L80 HydrophobicContact CD2-CG 4.4Å; F54-L80 HydrophobicContact CE2-CD1 4Å; T77-L80 HydrophobicContact CG2-CD1 4.14Å; P78-L80 HydrophobicContact CG-CD2 4.02Å; P78-L80 WeakPolarHBondContact O-CG 3.44Å; P78-L80 PolarHBondContact O-N 2.79Å; L80-F85 HydrophobicContact CB-CE2 3.62Å; L80-F85 HydrophobicContact CB-CZ 4.16Å; L80-I87 HydrophobicContact CD1-CD1 4.04Å; L80-I87 HydrophobicContact CD1-CG1 4.26Å; L80-I87 HydrophobicContact CD1-CG2 3.94Å; L80-T91 HydrophobicContact CD2-CG2 3.84Å | ||
| 81 | G | 89.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -176.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T52 F85 | T52-G81 PolarHBondContact N-O 2.88Å; G81-F85 VanDerWaalsContact C-CE1 3.47Å |
| 82 | S | 89.8 | Confident | 86.6 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.9 | 177.7 | -66.8 | 0 | 0 | 0 | 0 | 111 | C50 S84 | C50-S82 WeakPolarHBondContact O-CA 3.24Å; S82-S84 PolarHBondContact O-N 3.19Å |
| 83 | D | 89.7 | Confident | 86.7 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 23% | 0.225 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 55.6 | -93.4 | 177.5 | -55.3 | -39.8 | 0 | 0 | 0 | 114.1 | F32 N34 A37 G49 C50 | F32-D83 WeakPolarHBondContact CD1-O 3.33Å; F32-D83 WeakPolarHBondContact CE1-O 3.23Å; N34-D83 WeakPolarHBondContact CB-O 3.48Å; N34-D83 PolarHBondContact N-O 2.92Å; A37-D83 WeakPolarHBondContact CB-OD1 3.32Å; G49-D83 WeakPolarHBondContact CA-OD2 3.33Å; C50-D83 WeakPolarHBondContact CB-OD1 3.19Å; C50-D83 PolarHBondContact N-OD1 3.26Å; C50-D83 PolarHBondContact O-N 2.94Å |
| 84 | S | 92.5 | Very high | 86.9 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -121.3 | 119.6 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | F32 Q33 N34 S82 | F32-S84 CarbonylContact O-C 3.55Å; F32-S84 VanDerWaalsContact O-CA 3.31Å; F32-S84 WeakPolarHBondContact O-CA 3.29Å; Q33-S84 WeakPolarHBondContact CG-OG 3.33Å; N34-S84 PolarHBondContact N-OG 3.3Å; N34-S84 PolarHBondContact O-OG 2.93Å; S82-S84 PolarHBondContact O-N 3.19Å |
| 85 | F | 93.1 | Very high | 86.9 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 151.1 | -173 | 56.3 | -86.1 | 0 | 0 | 0 | 112.1 | H31 F32 T52 F54 L80 G81 I87 | H31-F85 PolarHBondContact ND1-O 3.05Å; F32-F85 HydrophobicContact CB-CE1 4.34Å; F32-F85 HydrophobicContact CB-CE2 4.4Å; F32-F85 HydrophobicContact CB-CZ 4.11Å; F32-F85 HydrophobicContact CD1-CD1 4.42Å; F32-F85 AromaticContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CE1 3.68Å; F32-F85 HydrophobicContact CD1-CZ 4.04Å; F32-F85 HydrophobicContact CG-CE1 4.46Å; F32-F85 HydrophobicContact CG-CZ 4.47Å; F32-F85 PolarHBondContact N-O 2.89Å; F32-F85 PolarHBondContact O-N 2.83Å; F32-F85 VanDerWaalsContact O-O 3.13Å; T52-F85 HydrophobicContact CG2-CE1 4.43Å; T52-F85 HydrophobicContact CG2-CZ 4.23Å; F54-F85 HydrophobicContact CE2-CE2 4.3Å; F54-F85 AromaticContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CE2-CZ 3.99Å; F54-F85 HydrophobicContact CZ-CZ 4.24Å; L80-F85 HydrophobicContact CB-CE2 3.62Å; L80-F85 HydrophobicContact CB-CZ 4.16Å; G81-F85 VanDerWaalsContact C-CE1 3.47Å; F85-I87 HydrophobicContact CD2-CG1 3.72Å; F85-I87 HydrophobicContact CE2-CD1 3.97Å; F85-I87 HydrophobicContact CE2-CG1 3.56Å |
| 86 | S | 91.2 | Very high | 86.9 | Confident | 92 Ų | 92 | 63.6 Ų | 63.6 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 140 | 166.3 | -60.4 | 0 | 0 | 0 | 0 | 109.3 | H31 | H31-S86 PolarHBondContact ND1-OG 2.83Å |
| 87 | I | 90.2 | Very high | 86.9 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 139 | -173.8 | -63.1 | 165.3 | 0 | 0 | 0 | 108.5 | L29 H30 F54 L80 F85 T91 | L29-I87 HydrophobicContact CB-CD1 3.45Å; L29-I87 VanDerWaalsContact CB-CD1 3.45Å; L29-I87 HydrophobicContact CB-CG2 4.34Å; L29-I87 HydrophobicContact CD1-CD1 4.44Å; L29-I87 VanDerWaalsContact O-CB 3.22Å; L29-I87 WeakPolarHBondContact O-CB 3.5Å; L29-I87 WeakPolarHBondContact O-CG2 3.24Å; H30-I87 PolarHBondContact O-N 2.02Å; F54-I87 HydrophobicContact CE2-CD1 4.12Å; L80-I87 HydrophobicContact CD1-CD1 4.04Å; L80-I87 HydrophobicContact CD1-CG1 4.26Å; L80-I87 HydrophobicContact CD1-CG2 3.94Å; F85-I87 HydrophobicContact CD2-CG1 3.72Å; F85-I87 HydrophobicContact CE2-CD1 3.97Å; F85-I87 HydrophobicContact CE2-CG1 3.56Å; I87-T91 HydrophobicContact CG2-CG2 4.43Å; I87-T91 WeakPolarHBondContact CG2-OG1 3.46Å |
| 88 | Q | 79 | Confident | 86.6 | Confident | 163 Ų | 163 | 65.2 Ų | 65.2 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 150.9 | 178.3 | -64.4 | -174.5 | 10.1 | 0 | 0 | 111.3 | D90 T91 | Q88-D90 PolarHBondContact O-N 2.92Å; Q88-T91 PolarHBondContact O-OG1 2.8Å |
| 89 | S | 60.9 | Low | 86.3 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 0.4 | -167 | 9.7 | 0 | 0 | 0 | 0 | 117 | ||
| 90 | D | 66.9 | Low | 86 | Confident | 159 Ų | 159 | 65.4 Ų | 65.4 | 85% | 0.85 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 19.1 | -178.3 | -160.4 | 25.2 | 0 | 0 | 0 | 113.3 | Q88 | Q88-D90 PolarHBondContact O-N 2.92Š|
| 91 | T | 75.9 | Confident | 85.8 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | trans | -111.1 | 32.7 | -174.6 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | L80 I87 Q88 V93 | L80-T91 HydrophobicContact CD2-CG2 3.84Å; I87-T91 HydrophobicContact CG2-CG2 4.43Å; I87-T91 WeakPolarHBondContact CG2-OG1 3.46Å; Q88-T91 PolarHBondContact O-OG1 2.8Å; T91-V93 PolarHBondContact O-N 3.42Å | ||
| 92 | T | 88.4 | Confident | 85.7 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 26% | 0.258 | 37% | 0.374 | S | S | . | . | trans | -67.6 | 118.9 | 177.5 | -50 | 0 | 0 | 0 | 0 | 111.2 | E26 I27 D28 R94 W145 | E26-T92 HydrophobicContact CB-CG2 3.9Å; I27-T92 CarbonylContact O-C 3.53Å; I27-T92 VanDerWaalsContact O-CA 3.29Å; I27-T92 WeakPolarHBondContact O-CA 3.48Å; I27-T92 WeakPolarHBondContact O-CG2 3.5Å; D28-T92 PolarHBondContact OD1-OG1 2.84Å; T92-R94 HydrophobicContact CG2-CG 4.42Å; T92-R94 PolarHBondContact O-N 3Å; T92-W145 HydrophobicContact CG2-CH2 4.03Å | ||
| 93 | V | 91.6 | Very high | 85.5 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.9 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | E26 I27 V56 T77 T91 L95 | E26-V93 WeakPolarHBondContact CA-O 3.48Å; I27-V93 HydrophobicContact CB-CB 4.45Å; I27-V93 PolarHBondContact N-O 3.01Å; I27-V93 PolarHBondContact O-N 3.38Å; V56-V93 HydrophobicContact CB-CG1 4.45Å; V56-V93 HydrophobicContact CG2-CG1 4.28Å; V56-V93 HydrophobicContact CG2-CG2 4.35Å; T77-V93 HydrophobicContact CG2-CG2 3.66Å; T91-V93 PolarHBondContact O-N 3.42Å; V93-L95 HydrophobicContact CG1-CD2 4.26Å; V93-L95 HydrophobicContact CG1-CG 4.44Å |
| 94 | R | 93.2 | Very high | 85.6 | Confident | 167 Ų | 167 | 64.9 Ų | 64.9 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.4 | 178.6 | -65 | -174.9 | 171.3 | 140.3 | 7.6 | 111.1 | V24 E26 T92 | V24-R94 HydrophobicContact CG1-CB 3.85Å; V24-R94 HydrophobicContact CG1-CG 4.23Å; E26-R94 HydrophobicContact CG-CG 4.25Å; E26-R94 IonicContact OE1-CZ 3.54Å; E26-R94 IonicContact OE1-NE 3.9Å; E26-R94 PolarHBondContact OE1-NE 2.79Å; E26-R94 IonicContact OE1-NH2 3.71Å; T92-R94 HydrophobicContact CG2-CG 4.42Å; T92-R94 PolarHBondContact O-N 3Å |
| 95 | L | 93.1 | Very high | 85.7 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 99.1 | 176.3 | -58.5 | 178.1 | 0 | 0 | 0 | 109 | F25 V56 L58 R74 V93 | F25-L95 HydrophobicContact CB-CB 4.34Å; F25-L95 PolarHBondContact N-O 2.82Å; F25-L95 PolarHBondContact O-N 2.8Å; V56-L95 HydrophobicContact CG1-CD1 3.99Å; L58-L95 HydrophobicContact CB-CD1 3.83Å; L58-L95 HydrophobicContact CD2-CD1 4.26Å; R74-L95 VanDerWaalsContact C-CD2 3.5Å; V93-L95 HydrophobicContact CG1-CD2 4.26Å; V93-L95 HydrophobicContact CG1-CG 4.44Å |
| 96 | P | 91.3 | Very high | 85.7 | Confident | 92 Ų | 92 | 61 Ų | 61 | 60% | 0.597 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.1 | 177.4 | 28.7 | -33.2 | 0 | 0 | 0 | 110.6 | ||
| 97 | L | 89.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.2 | 179 | -51 | -180 | 0 | 0 | 0 | 108.8 | S22 S23 F25 F72 F99 W101 I165 | S22-L97 WeakPolarHBondContact CA-O 3.49Å; S23-L97 PolarHBondContact N-O 3.18Å; S23-L97 VanDerWaalsContact N-O 3.11Å; S23-L97 PolarHBondContact O-N 2.81Å; F25-L97 HydrophobicContact CB-CD1 4.4Å; F72-L97 HydrophobicContact CB-CD2 4.05Å; F72-L97 WeakPolarHBondContact O-CD2 3.4Å; L97-F99 HydrophobicContact CB-CD1 4.42Å; L97-F99 HydrophobicContact CB-CE1 4Å; L97-F99 HydrophobicContact CB-CZ 4.08Å; L97-F99 HydrophobicContact CD1-CZ 4.18Å; L97-F99 HydrophobicContact CD2-CE1 3.93Å; L97-F99 HydrophobicContact CD2-CZ 3.8Å; L97-F99 HydrophobicContact CG-CE1 4.47Å; L97-F99 HydrophobicContact CG-CZ 4.24Å; L97-W101 HydrophobicContact CD1-CE3 3.68Å; L97-W101 HydrophobicContact CD1-CZ3 3.85Å; L97-I165 HydrophobicContact CD1-CD1 4.02Å |
| 98 | N | 85.3 | Confident | 86 | Confident | 113 Ų | 113 | 56.1 Ų | 56.1 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | trans | -103.1 | 37.1 | 178.4 | -64.4 | -19.3 | 0 | 0 | 0 | 111.3 | L20 G21 | L20-N98 VanDerWaalsContact CD2-O 3.31Å; L20-N98 WeakPolarHBondContact CD2-O 3.36Å; G21-N98 CarbonylContact O-C 3.44Å | ||
| 99 | F | 82.6 | Confident | 86.6 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 28% | 0.281 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -148.7 | 160.3 | 177.8 | 57.5 | -92.9 | 0 | 0 | 0 | 108.8 | G21 F72 L97 W101 | G21-F99 CarbonylContact O-C 3.59Å; G21-F99 PolarHBondContact O-N 2.77Å; G21-F99 VanDerWaalsContact O-N 3.12Å; F72-F99 HydrophobicContact CB-CZ 3.98Å; F72-F99 HydrophobicContact CD1-CE1 4.18Å; F72-F99 AromaticContact CD1-CE2 3.73Å; F72-F99 HydrophobicContact CD1-CE2 3.73Å; F72-F99 AromaticContact CD1-CZ 3.26Å; F72-F99 HydrophobicContact CD1-CZ 3.26Å; F72-F99 AromaticContact CE1-CE2 3.85Å; F72-F99 HydrophobicContact CE1-CE2 3.85Å; F72-F99 AromaticContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CE1-CZ 3.87Å; F72-F99 HydrophobicContact CG-CE2 4.35Å; F72-F99 AromaticContact CG-CZ 3.75Å; F72-F99 HydrophobicContact CG-CZ 3.75Å; L97-F99 HydrophobicContact CB-CD1 4.42Å; L97-F99 HydrophobicContact CB-CE1 4Å; L97-F99 HydrophobicContact CB-CZ 4.08Å; L97-F99 HydrophobicContact CD1-CZ 4.18Å; L97-F99 HydrophobicContact CD2-CE1 3.93Å; L97-F99 HydrophobicContact CD2-CZ 3.8Å; L97-F99 HydrophobicContact CG-CE1 4.47Å; L97-F99 HydrophobicContact CG-CZ 4.24Å; F99-W101 PolarHBondContact O-N 2.92Å |
| 100 | T | 81.8 | Confident | 88.1 | Confident | 59 Ų | 59 | 46 Ų | 46 | 36% | 0.362 | 25% | 0.251 | S | S | . | . | trans | -60.5 | 125.5 | 178.3 | -47.9 | 0 | 0 | 0 | 0 | 111.1 | V19 P102 T175 | V19-T100 PolarHBondContact O-OG1 3.3Å; T100-P102 WeakPolarHBondContact O-CD 3.34Å; T100-T175 HydrophobicContact CG2-CG2 3.86Å | ||
| 101 | W | 87.3 | Confident | 89.3 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | trans | -58.1 | 123.4 | 178 | 176 | -119.3 | 0 | 0 | 0 | 111.1 | F25 L58 F72 L97 F99 G103 F105 L139 I141 I165 | F25-W101 AromaticContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CH2 3.77Å; F25-W101 HydrophobicContact CD2-CZ2 4.48Å; F25-W101 HydrophobicContact CD2-CZ3 4.07Å; F25-W101 AromaticContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CH2 3.76Å; F25-W101 HydrophobicContact CE2-CZ2 4.31Å; F25-W101 HydrophobicContact CE2-CZ3 4.49Å; L58-W101 HydrophobicContact CD2-CZ3 4.5Å; F72-W101 HydrophobicContact CD2-CZ3 4.5Å; L97-W101 HydrophobicContact CD1-CE3 3.68Å; L97-W101 HydrophobicContact CD1-CZ3 3.85Å; F99-W101 PolarHBondContact O-N 2.92Å; W101-G103 VanDerWaalsContact NE1-CA 3.32Å; W101-G103 PolarHBondContact O-N 2.94Å; W101-F105 HydrophobicContact CH2-CB 3.69Å; W101-F105 AromaticContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CE1 4.48Å; W101-F105 AromaticContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CZ2-CB 4.37Å; W101-F105 AromaticContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CE1 4.34Å; W101-F105 HydrophobicContact CZ2-CG 4.29Å; W101-F105 HydrophobicContact CZ3-CB 4.47Å; W101-L139 HydrophobicContact CZ2-CB 4.26Å; W101-L139 PolarHBondContact NE1-O 3.28Å; W101-I141 HydrophobicContact CB-CD1 3.89Å; W101-I141 HydrophobicContact CB-CG1 4.3Å; W101-I141 HydrophobicContact CG-CD1 4.4Å; W101-I141 HydrophobicContact CG-CG1 4.28Å; W101-I165 HydrophobicContact CB-CD1 3.97Å; W101-I165 HydrophobicContact CD2-CD1 3.2Å; W101-I165 HydrophobicContact CE3-CD1 3.22Å; W101-I165 HydrophobicContact CG-CD1 3.53Å; W101-I165 HydrophobicContact CH2-CD1 4.29Å; W101-I165 HydrophobicContact CZ2-CD1 4.28Å; W101-I165 HydrophobicContact CZ2-CG2 4.49Å; W101-I165 HydrophobicContact CZ3-CD1 3.81Å | ||
| 102 | P | 86.4 | Confident | 90 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 47% | 0.468 | 20% | 0.204 | S | C | . | . | trans | -76.2 | -2.3 | -176.5 | 29.7 | -37.2 | 0 | 0 | 0 | 114.4 | F72 T100 A104 | F72-P102 HydrophobicContact CE1-CG 4.47Å; F72-P102 HydrophobicContact CE2-CG 3.85Å; F72-P102 HydrophobicContact CZ-CG 3.61Å; T100-P102 WeakPolarHBondContact O-CD 3.34Å; P102-A104 PolarHBondContact O-N 3.46Å; P102-A104 VanDerWaalsContact O-N 3.07Å | ||
| 103 | G | 87.1 | Confident | 90.1 | Very high | 27 Ų | 27 | 36.5 Ų | 36.5 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 80.4 | -29.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W101 Q138 L139 | W101-G103 VanDerWaalsContact NE1-CA 3.32Å; W101-G103 PolarHBondContact O-N 2.94Å; G103-Q138 CarbonylContact O-C 3.56Å; G103-Q138 VanDerWaalsContact O-CA 3.24Å; G103-Q138 WeakPolarHBondContact O-CA 3.38Å; G103-L139 PolarHBondContact O-N 2.04Å |
| 104 | A | 91.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F61 P102 S137 Q138 | F61-A104 HydrophobicContact CB-CB 3.75Å; F61-A104 HydrophobicContact CD2-CB 4.09Å; F61-A104 HydrophobicContact CG-CB 4.07Å; P102-A104 PolarHBondContact O-N 3.46Å; P102-A104 VanDerWaalsContact O-N 3.07Å; A104-S137 WeakPolarHBondContact CA-O 3.38Å; A104-Q138 HydrophobicContact CB-CG 3.96Å |
| 105 | F | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 163.4 | -176.4 | 69.4 | -79.6 | 0 | 0 | 0 | 112.7 | F25 L58 F72 W101 L107 T135 Q136 S137 L139 Y163 | F25-F105 HydrophobicContact CE2-CD1 4.36Å; F25-F105 HydrophobicContact CE2-CD2 4.38Å; F25-F105 HydrophobicContact CE2-CE1 4.18Å; F25-F105 HydrophobicContact CE2-CE2 4.2Å; F25-F105 HydrophobicContact CE2-CG 4.46Å; F25-F105 HydrophobicContact CE2-CZ 4.09Å; F25-F105 HydrophobicContact CZ-CD2 4.17Å; F25-F105 HydrophobicContact CZ-CE1 4.37Å; F25-F105 AromaticContact CZ-CE2 3.71Å; F25-F105 HydrophobicContact CZ-CE2 3.71Å; F25-F105 AromaticContact CZ-CZ 3.82Å; F25-F105 HydrophobicContact CZ-CZ 3.82Å; L58-F105 HydrophobicContact CD1-CB 4.16Å; L58-F105 HydrophobicContact CD1-CD2 3.51Å; L58-F105 HydrophobicContact CD1-CE2 4.26Å; L58-F105 HydrophobicContact CD1-CG 4.11Å; F72-F105 HydrophobicContact CE2-CB 4.39Å; W101-F105 HydrophobicContact CH2-CB 3.69Å; W101-F105 AromaticContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CD1 3.62Å; W101-F105 HydrophobicContact CH2-CE1 4.48Å; W101-F105 AromaticContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CH2-CG 3.8Å; W101-F105 HydrophobicContact CZ2-CB 4.37Å; W101-F105 AromaticContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CD1 3.64Å; W101-F105 HydrophobicContact CZ2-CE1 4.34Å; W101-F105 HydrophobicContact CZ2-CG 4.29Å; W101-F105 HydrophobicContact CZ3-CB 4.47Å; F105-L107 HydrophobicContact CD2-CB 3.78Å; F105-L107 HydrophobicContact CE2-CB 3.57Å; F105-L107 HydrophobicContact CE2-CD2 4.3Å; F105-T135 HydrophobicContact CE2-CG2 4.47Å; F105-Q136 WeakPolarHBondContact O-CA 3.44Å; F105-S137 WeakPolarHBondContact CD1-O 3.03Å; F105-S137 PolarHBondContact N-O 3.01Å; F105-S137 PolarHBondContact O-N 2.98Å; F105-L139 HydrophobicContact CD1-CB 4.39Å; F105-L139 HydrophobicContact CE1-CB 3.76Å; F105-L139 HydrophobicContact CE1-CD2 4.24Å; F105-Y163 HydrophobicContact CE1-CE2 4.19Å; F105-Y163 AromaticContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CE1 4.43Å; F105-Y163 AromaticContact CZ-CE2 3.58Å; F105-Y163 HydrophobicContact CZ-CE2 3.58Å; F105-Y163 AromaticContact CZ-CZ 3.83Å |
| 106 | S | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.4 | 160.1 | -38.8 | 0 | 0 | 0 | 0 | 108.8 | K59 N60 F61 Q62 T135 | K59-S106 WeakPolarHBondContact CG-O 3.47Å; K59-S106 PolarHBondContact N-O 2.82Å; K59-S106 PolarHBondContact O-N 2.83Å; N60-S106 WeakPolarHBondContact O-CB 3.42Å; N60-S106 PolarHBondContact O-OG 3.12Å; F61-S106 WeakPolarHBondContact CA-OG 3.45Å; Q62-S106 PolarHBondContact N-OG 3.22Å; S106-T135 CarbonylContact C-O 3.5Å; S106-T135 WeakPolarHBondContact CA-O 3.41Å |
| 107 | L | 93.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | 179.1 | 166.8 | 66.4 | 0 | 0 | 0 | 108.4 | F25 I27 V56 L58 F105 I109 A134 T135 Y161 Y163 | F25-L107 HydrophobicContact CE1-CD2 4.44Å; I27-L107 HydrophobicContact CD1-CD1 3.81Å; I27-L107 HydrophobicContact CD1-CD2 4.31Å; V56-L107 HydrophobicContact CG1-CD1 3.65Å; L58-L107 HydrophobicContact CD1-CB 4.16Å; L58-L107 HydrophobicContact CD1-CD1 4.3Å; F105-L107 HydrophobicContact CD2-CB 3.78Å; F105-L107 HydrophobicContact CE2-CB 3.57Å; F105-L107 HydrophobicContact CE2-CD2 4.3Å; L107-I109 HydrophobicContact CD1-CG1 4.08Å; L107-I109 HydrophobicContact CD2-CD1 4.18Å; L107-I109 HydrophobicContact CD2-CG1 4.39Å; L107-I109 HydrophobicContact CG-CD1 4.42Å; L107-I109 HydrophobicContact CG-CG1 4.08Å; L107-A134 WeakPolarHBondContact O-CA 3.23Å; L107-T135 HydrophobicContact CB-CG2 3.72Å; L107-T135 HydrophobicContact CD2-CG2 4Å; L107-T135 HydrophobicContact CG-CG2 4.15Å; L107-T135 PolarHBondContact N-O 2.93Å; L107-T135 PolarHBondContact O-N 2.97Å; L107-Y161 HydrophobicContact CD2-CE2 3.86Å; L107-Y163 HydrophobicContact CD2-CD1 4.21Å |
| 108 | V | 92.6 | Very high | 85.7 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.7 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | C57 V65 E110 F133 A134 | C57-V108 HydrophobicContact CB-CB 4.25Å; C57-V108 PolarHBondContact N-O 3.35Å; C57-V108 PolarHBondContact O-N 3.43Å; V65-V108 HydrophobicContact CG1-CG2 3.53Å; V108-E110 HydrophobicContact CG1-CG 4Å; V108-F133 CarbonylContact C-O 3.57Å; V108-F133 WeakPolarHBondContact CA-O 3.27Å; V108-A134 HydrophobicContact CG2-CB 4.4Å |
| 109 | I | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.1 | 173.7 | -55 | 175.5 | 0 | 0 | 0 | 107.4 | I27 L29 F54 R55 L107 F133 L159 Y161 | I27-I109 HydrophobicContact CG2-CD1 4.41Å; L29-I109 HydrophobicContact CD2-CD1 4.27Å; F54-I109 HydrophobicContact CB-CG2 4.35Å; F54-I109 HydrophobicContact CD1-CG2 3.86Å; R55-I109 CarbonylContact O-C 3.5Å; R55-I109 WeakPolarHBondContact O-CA 3.31Å; L107-I109 HydrophobicContact CD1-CG1 4.08Å; L107-I109 HydrophobicContact CD2-CD1 4.18Å; L107-I109 HydrophobicContact CD2-CG1 4.39Å; L107-I109 HydrophobicContact CG-CD1 4.42Å; L107-I109 HydrophobicContact CG-CG1 4.08Å; I109-F133 HydrophobicContact CB-CB 4.44Å; I109-F133 PolarHBondContact N-O 3.11Å; I109-F133 WeakPolarHBondContact O-CD2 3.35Å; I109-F133 PolarHBondContact O-N 3.26Å; I109-L159 HydrophobicContact CB-CD2 4.1Å; I109-L159 HydrophobicContact CD1-CD2 4.05Å; I109-L159 HydrophobicContact CG2-CD2 3.75Å; I109-Y161 HydrophobicContact CD1-CD1 4.12Å; I109-Y161 HydrophobicContact CD1-CD2 3.75Å; I109-Y161 HydrophobicContact CD1-CE1 4.13Å; I109-Y161 HydrophobicContact CD1-CE2 3.77Å; I109-Y161 HydrophobicContact CD1-CG 3.92Å |
| 110 | E | 91.9 | Very high | 83.7 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.6 | 179.1 | -59.1 | 175.5 | 160.8 | 0 | 0 | 109.5 | F54 R55 V108 W112 L129 | F54-E110 CarbonylContact C-O 3.58Å; F54-E110 VanDerWaalsContact CA-O 3.31Å; F54-E110 WeakPolarHBondContact CA-O 3.45Å; R55-E110 HydrophobicContact CB-CB 4.42Å; R55-E110 PolarHBondContact N-O 3.19Å; R55-E110 PolarHBondContact O-N 3.08Å; V108-E110 HydrophobicContact CG1-CG 4Å; E110-W112 PolarHBondContact OE2-NE1 3.25Å; E110-L129 HydrophobicContact CB-CD1 4.01Å; E110-L129 HydrophobicContact CG-CD1 4.44Å |
| 111 | A | 92 | Very high | 82.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.6 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | F32 T52 F54 I130 S131 F133 | F32-A111 HydrophobicContact CE2-CB 3.81Å; F32-A111 HydrophobicContact CZ-CB 3.77Å; T52-A111 HydrophobicContact CG2-CB 3.97Å; F54-A111 HydrophobicContact CD1-CB 4.15Å; F54-A111 HydrophobicContact CE1-CB 3.79Å; A111-I130 HydrophobicContact CB-CB 4.1Å; A111-I130 HydrophobicContact CB-CG2 4.47Å; A111-I130 WeakPolarHBondContact O-CA 3.29Å; A111-I130 WeakPolarHBondContact O-CB 3.44Å; A111-I130 PolarHBondContact O-N 2.96Å; A111-S131 PolarHBondContact N-O 3.16Å; A111-S131 PolarHBondContact O-N 3.36Å; A111-F133 HydrophobicContact CB-CE2 4.39Å |
| 112 | W | 90.9 | Very high | 81.3 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.1 | -175.8 | -76.6 | 86.2 | 0 | 0 | 0 | 111.3 | T52 Y53 E110 N125 L128 L129 | T52-W112 WeakPolarHBondContact CA-O 3.44Å; Y53-W112 HydrophobicContact CD1-CB 3.87Å; Y53-W112 VanDerWaalsContact CD1-O 3.27Å; Y53-W112 WeakPolarHBondContact CD1-O 3.48Å; Y53-W112 HydrophobicContact CE1-CB 3.3Å; Y53-W112 HydrophobicContact CE1-CG 4.38Å; Y53-W112 HydrophobicContact CE2-CB 4.05Å; Y53-W112 HydrophobicContact CG-CB 4.45Å; Y53-W112 PolarHBondContact N-O 3.38Å; Y53-W112 PolarHBondContact O-N 2.94Å; E110-W112 PolarHBondContact OE2-NE1 3.25Å; W112-N125 WeakPolarHBondContact CZ3-O 3Å; W112-L128 HydrophobicContact CE3-CB 4Å; W112-L128 HydrophobicContact CZ3-CB 4.13Å; W112-L129 HydrophobicContact CD2-CD1 4.15Å; W112-L129 HydrophobicContact CE3-CB 4.46Å; W112-L129 HydrophobicContact CH2-CB 4.33Å; W112-L129 HydrophobicContact CZ2-CD1 3.96Å; W112-L129 HydrophobicContact CZ3-CB 4.3Å |
| 113 | Y | 89.8 | Confident | 79.9 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131 | 171.1 | 172.6 | -123.3 | 0 | 0 | 0 | 110.4 | L39 C45 R51 P115 L128 | L39-Y113 HydrophobicContact CD2-CG 4.38Å; C45-Y113 HydrophobicContact CB-CD1 4.4Å; C45-Y113 HydrophobicContact CB-CD2 3.98Å; C45-Y113 HydrophobicContact CB-CE1 4.48Å; C45-Y113 HydrophobicContact CB-CE2 4.06Å; C45-Y113 HydrophobicContact CB-CG 4.17Å; R51-Y113 HydrophobicContact CB-CD2 4.35Å; R51-Y113 HydrophobicContact CB-CE2 4.22Å; R51-Y113 PolarHBondContact NH2-OH 2.96Å; R51-Y113 WeakPolarHBondContact O-CA 2.98Å; Y113-P115 HydrophobicContact CD1-CG 4.47Å; Y113-P115 HydrophobicContact CE1-CG 4.17Å; Y113-L128 HydrophobicContact CD1-CD2 3.94Å; Y113-L128 PolarHBondContact N-O 2.97Å |
| 114 | S | 87.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -100.7 | 120.7 | 168.7 | -165.2 | 0 | 0 | 0 | 0 | 112 | R51 A116 Q119 G121 | R51-S114 VanDerWaalsContact CZ-O 3.3Å; R51-S114 PolarHBondContact NE-O 2.91Å; R51-S114 PolarHBondContact NH2-O 2.94Å; R51-S114 VanDerWaalsContact NH2-O 3.11Å; R51-S114 PolarHBondContact O-N 3.04Å; S114-A116 PolarHBondContact O-N 3.26Å; S114-A116 PolarHBondContact OG-N 3.37Å; S114-A116 PolarHBondContact OG-O 2.83Å; S114-Q119 PolarHBondContact OG-O 3.04Å; S114-G121 PolarHBondContact OG-N 3.18Å | ||
| 115 | P | 79.9 | Confident | 77.8 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70.3 | -18.5 | 169.8 | -18.8 | 32.3 | 0 | 0 | 0 | 113.7 | R51 Y113 L128 | R51-P115 PolarHBondContact NH2-O 3Å; Y113-P115 HydrophobicContact CD1-CG 4.47Å; Y113-P115 HydrophobicContact CE1-CG 4.17Å; P115-L128 HydrophobicContact CG-CD1 4.12Å; P115-L128 HydrophobicContact CG-CD2 4.26Å |
| 116 | A | 74.6 | Confident | 76.9 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -94.3 | 147.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S114 E118 | S114-A116 PolarHBondContact O-N 3.26Å; S114-A116 PolarHBondContact OG-N 3.37Å; S114-A116 PolarHBondContact OG-O 2.83Å; A116-E118 PolarHBondContact O-N 2.91Å |
| 117 | A | 63.6 | Low | 76.1 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -69.2 | -28.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 118 | E | 61 | Low | 75.8 | Confident | 174 Ų | 174 | 56.2 Ų | 56.2 | 81% | 0.813 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -135 | -7.4 | -168.5 | -65.9 | -178.3 | 173.3 | 0 | 0 | 115 | A116 | A116-E118 PolarHBondContact O-N 2.91Š|
| 119 | Q | 63.2 | Low | 75.6 | Confident | 142 Ų | 142 | 57.5 Ų | 57.5 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -120.2 | 144 | -177.3 | -71 | -173.6 | -14 | 0 | 0 | 112 | S114 G121 | S114-Q119 PolarHBondContact OG-O 3.04Å; Q119-G121 PolarHBondContact O-N 2.73Å |
| 120 | P | 63 | Low | 75.5 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 118.1 | 171.3 | 24.3 | -31.1 | 0 | 0 | 0 | 109.6 | Y53 | Y53-P120 HydrophobicContact CD2-CB 3.78Å; Y53-P120 HydrophobicContact CE2-CB 3.61Å; Y53-P120 HydrophobicContact CG-CB 4.31Å |
| 121 | G | 60.2 | Low | 75.5 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y53 R55 S114 Q119 S123 | Y53-G121 PolarHBondContact OH-O 3.2Å; R55-G121 PolarHBondContact NH2-O 3.22Å; S114-G121 PolarHBondContact OG-N 3.18Å; Q119-G121 PolarHBondContact O-N 2.73Å; G121-S123 PolarHBondContact O-N 2.89Å |
| 122 | D | 57.8 | Low | 75.4 | Confident | 118 Ų | 118 | 56.9 Ų | 56.9 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -59 | 119.6 | -179.3 | -169.2 | 6.3 | 0 | 0 | 0 | 111.9 | S124 | D122-S124 VanDerWaalsContact C-N 3.25Å; D122-S124 PolarHBondContact O-N 2.74Å; D122-S124 PolarHBondContact OD1-N 2.92Å; D122-S124 PolarHBondContact OD1-OG 2.91Å; D122-S124 PolarHBondContact OD2-OG 2.75Å |
| 123 | S | 57 | Low | 75.4 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7 | -176.2 | 17.3 | 0 | 0 | 0 | 0 | 116 | R55 G121 N125 | R55-S123 PolarHBondContact NH1-OG 2.97Å; R55-S123 PolarHBondContact NH2-OG 3.41Å; R55-S123 VanDerWaalsContact NH2-OG 3.08Å; G121-S123 PolarHBondContact O-N 2.89Å; S123-N125 PolarHBondContact O-N 3.43Å |
| 124 | S | 60.8 | Low | 75.5 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 62% | 0.615 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.8 | -175.9 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | D122 P126 | D122-S124 VanDerWaalsContact C-N 3.25Å; D122-S124 PolarHBondContact O-N 2.74Å; D122-S124 PolarHBondContact OD1-N 2.92Å; D122-S124 PolarHBondContact OD1-OG 2.91Å; D122-S124 PolarHBondContact OD2-OG 2.75Å; S124-P126 VanDerWaalsContact O-CD 3.29Å; S124-P126 WeakPolarHBondContact O-CD 3.46Å |
| 125 | N | 72.9 | Confident | 75.6 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | trans | -99 | 102.5 | -178.8 | -171.4 | -6.4 | 0 | 0 | 0 | 112.7 | W112 S123 G127 L128 | W112-N125 WeakPolarHBondContact CZ3-O 3Å; S123-N125 PolarHBondContact O-N 3.43Å; N125-G127 PolarHBondContact O-N 2.87Å; N125-G127 PolarHBondContact OD1-N 2.95Å; N125-L128 HydrophobicContact CB-CD1 4.29Å; N125-L128 HydrophobicContact CB-CG 4.38Å; N125-L128 PolarHBondContact O-N 2.78Å | ||
| 126 | P | 75 | Confident | 76.1 | Confident | 106 Ų | 106 | 58.9 Ų | 58.9 | 69% | 0.688 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -63.5 | -13.4 | 178.3 | 27.8 | -35.4 | 0 | 0 | 0 | 113.4 | S124 L128 L129 | S124-P126 VanDerWaalsContact O-CD 3.29Å; S124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-L128 PolarHBondContact O-N 3.05Å; P126-L129 PolarHBondContact O-N 2.86Å |
| 127 | G | 78.4 | Confident | 77 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -69.9 | -8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | N41 N125 | N41-G127 PolarHBondContact ND2-O 2.03Å; N125-G127 PolarHBondContact O-N 2.87Å; N125-G127 PolarHBondContact OD1-N 2.95Å |
| 128 | L | 86.6 | Confident | 78.3 | Confident | 30 Ų | 30 | 62.6 Ų | 62.6 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -100.2 | 1.4 | 179.9 | -58.9 | 176.3 | 0 | 0 | 0 | 113.9 | W112 Y113 P115 N125 P126 | W112-L128 HydrophobicContact CE3-CB 4Å; W112-L128 HydrophobicContact CZ3-CB 4.13Å; Y113-L128 HydrophobicContact CD1-CD2 3.94Å; Y113-L128 PolarHBondContact N-O 2.97Å; P115-L128 HydrophobicContact CG-CD1 4.12Å; P115-L128 HydrophobicContact CG-CD2 4.26Å; N125-L128 HydrophobicContact CB-CD1 4.29Å; N125-L128 HydrophobicContact CB-CG 4.38Å; N125-L128 PolarHBondContact O-N 2.78Å; P126-L128 PolarHBondContact O-N 3.05Å |
| 129 | L | 88.8 | Confident | 79.8 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 20% | 0.199 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.4 | 177.2 | -177.1 | 70 | 0 | 0 | 0 | 110 | A40 E110 W112 P126 | A40-L129 HydrophobicContact CB-CB 4.4Å; A40-L129 HydrophobicContact CB-CD2 4.28Å; A40-L129 HydrophobicContact CB-CG 4.26Å; A40-L129 WeakPolarHBondContact CB-O 3.22Å; A40-L129 PolarHBondContact N-O 3.49Å; E110-L129 HydrophobicContact CB-CD1 4.01Å; E110-L129 HydrophobicContact CG-CD1 4.44Å; W112-L129 HydrophobicContact CD2-CD1 4.15Å; W112-L129 HydrophobicContact CE3-CB 4.46Å; W112-L129 HydrophobicContact CH2-CB 4.33Å; W112-L129 HydrophobicContact CZ2-CD1 3.96Å; W112-L129 HydrophobicContact CZ3-CB 4.3Å; P126-L129 PolarHBondContact O-N 2.86Å |
| 130 | I | 90.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -54.6 | 173.1 | -62.6 | 166.2 | 0 | 0 | 0 | 109.4 | F32 N34 L39 A40 C50 T52 A111 T157 | F32-I130 HydrophobicContact CZ-CG2 3.98Å; N34-I130 WeakPolarHBondContact ND2-CG2 3.49Å; L39-I130 HydrophobicContact CD2-CG1 3.93Å; A40-I130 WeakPolarHBondContact CA-O 3.16Å; A40-I130 WeakPolarHBondContact CB-O 3.12Å; A40-I130 PolarHBondContact N-O 3.07Å; C50-I130 HydrophobicContact CB-CD1 4Å; T52-I130 HydrophobicContact CG2-CD1 3.99Å; T52-I130 VanDerWaalsContact OG1-CD1 3.29Å; T52-I130 WeakPolarHBondContact OG1-CD1 3.37Å; A111-I130 HydrophobicContact CB-CB 4.1Å; A111-I130 HydrophobicContact CB-CG2 4.47Å; A111-I130 WeakPolarHBondContact O-CA 3.29Å; A111-I130 WeakPolarHBondContact O-CB 3.44Å; A111-I130 PolarHBondContact O-N 2.96Å; I130-T157 HydrophobicContact CG2-CG2 4.11Å |
| 131 | S | 91.4 | Very high | 82.3 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 158.4 | -178.8 | -165.5 | 0 | 0 | 0 | 0 | 111 | A111 G152 T157 | A111-S131 PolarHBondContact N-O 3.16Å; A111-S131 PolarHBondContact O-N 3.36Å; S131-G152 WeakPolarHBondContact OG-CA 3.45Å; S131-T157 VanDerWaalsContact CB-OG1 3.25Å; S131-T157 WeakPolarHBondContact CB-OG1 2.96Å; S131-T157 PolarHBondContact OG-OG1 2.78Å |
| 132 | S | 90.6 | Very high | 83.7 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.8 | 175.1 | -175 | 0 | 0 | 0 | 0 | 109.4 | ||
| 133 | F | 91.5 | Very high | 85.2 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.8 | -179.3 | -56 | -89.4 | 0 | 0 | 0 | 107.8 | F32 V108 I109 A111 Q150 G152 L159 | F32-F133 HydrophobicContact CD2-CE2 4.46Å; F32-F133 HydrophobicContact CD2-CZ 4.39Å; F32-F133 AromaticContact CE2-CE2 3.92Å; F32-F133 HydrophobicContact CE2-CE2 3.92Å; F32-F133 AromaticContact CE2-CZ 3.88Å; F32-F133 HydrophobicContact CE2-CZ 3.88Å; V108-F133 CarbonylContact C-O 3.57Å; V108-F133 WeakPolarHBondContact CA-O 3.27Å; I109-F133 HydrophobicContact CB-CB 4.44Å; I109-F133 PolarHBondContact N-O 3.11Å; I109-F133 WeakPolarHBondContact O-CD2 3.35Å; I109-F133 PolarHBondContact O-N 3.26Å; A111-F133 HydrophobicContact CB-CE2 4.39Å; F133-Q150 HydrophobicContact CD1-CB 3.93Å; F133-Q150 WeakPolarHBondContact CE1-O 3.46Å; F133-G152 VanDerWaalsContact CE1-CA 3.41Å; F133-G152 VanDerWaalsContact CE1-N 3.3Å; F133-L159 HydrophobicContact CB-CD2 4.36Å; F133-L159 HydrophobicContact CD1-CB 3.92Å; F133-L159 HydrophobicContact CD2-CB 4.15Å; F133-L159 HydrophobicContact CD2-CD2 3.79Å; F133-L159 HydrophobicContact CE1-CB 3.65Å; F133-L159 HydrophobicContact CE2-CB 3.93Å; F133-L159 HydrophobicContact CE2-CD2 4.21Å; F133-L159 HydrophobicContact CG-CB 4.15Å; F133-L159 HydrophobicContact CG-CD2 4Å; F133-L159 HydrophobicContact CZ-CB 3.67Å |
| 134 | A | 91.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V65 L107 V108 Q150 | V65-A134 HydrophobicContact CB-CB 3.93Å; V65-A134 HydrophobicContact CG1-CB 3.82Å; V65-A134 HydrophobicContact CG2-CB 4.32Å; L107-A134 WeakPolarHBondContact O-CA 3.23Å; V108-A134 HydrophobicContact CG2-CB 4.4Å; A134-Q150 PolarHBondContact O-NE2 3.11Å |
| 135 | T | 90.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.104 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.8 | 172.4 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | F105 S106 L107 Y161 Y163 | F105-T135 HydrophobicContact CE2-CG2 4.47Å; S106-T135 CarbonylContact C-O 3.5Å; S106-T135 WeakPolarHBondContact CA-O 3.41Å; L107-T135 HydrophobicContact CB-CG2 3.72Å; L107-T135 HydrophobicContact CD2-CG2 4Å; L107-T135 HydrophobicContact CG-CG2 4.15Å; L107-T135 PolarHBondContact N-O 2.93Å; L107-T135 PolarHBondContact O-N 2.97Å; T135-Y161 WeakPolarHBondContact CB-OH 3.36Å; T135-Y161 VanDerWaalsContact CG2-OH 3.3Å; T135-Y161 WeakPolarHBondContact CG2-OH 3.49Å; T135-Y163 HydrophobicContact CG2-CE1 4.5Å |
| 136 | Q | 90.6 | Very high | 89.6 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.8 | 172.5 | 66.8 | -79.4 | 7.9 | 0 | 0 | 107.5 | F61 V65 F105 | F61-Q136 HydrophobicContact CD2-CB 4.08Å; F61-Q136 HydrophobicContact CE2-CB 3.79Å; F61-Q136 HydrophobicContact CE2-CG 3.89Å; F61-Q136 HydrophobicContact CZ-CG 4.37Å; V65-Q136 HydrophobicContact CG2-CB 4.13Å; F105-Q136 WeakPolarHBondContact O-CA 3.44Å |
| 137 | S | 92.1 | Very high | 90.4 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 165.2 | -173.7 | -164.6 | 0 | 0 | 0 | 0 | 111.2 | A104 F105 | A104-S137 WeakPolarHBondContact CA-O 3.38Å; F105-S137 WeakPolarHBondContact CD1-O 3.03Å; F105-S137 PolarHBondContact N-O 3.01Å; F105-S137 PolarHBondContact O-N 2.98Å |
| 138 | Q | 91.4 | Very high | 91.2 | Very high | 156 Ų | 156 | 60.7 Ų | 60.7 | 73% | 0.729 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 134 | 164.6 | -67 | -178.3 | -17.6 | 0 | 0 | 107.8 | G103 A104 | G103-Q138 CarbonylContact O-C 3.56Å; G103-Q138 VanDerWaalsContact O-CA 3.24Å; G103-Q138 WeakPolarHBondContact O-CA 3.38Å; A104-Q138 HydrophobicContact CB-CG 3.96Å |
| 139 | L | 92.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | trans | -140.5 | 128.8 | -175.3 | 178.3 | 69.8 | 0 | 0 | 0 | 108.7 | F25 W101 G103 F105 Y163 I165 | F25-L139 HydrophobicContact CE2-CD2 3.78Å; F25-L139 HydrophobicContact CZ-CD2 4.48Å; W101-L139 HydrophobicContact CZ2-CB 4.26Å; W101-L139 PolarHBondContact NE1-O 3.28Å; G103-L139 PolarHBondContact O-N 2.04Å; F105-L139 HydrophobicContact CD1-CB 4.39Å; F105-L139 HydrophobicContact CE1-CB 3.76Å; F105-L139 HydrophobicContact CE1-CD2 4.24Å; L139-Y163 HydrophobicContact CD1-CE2 4.31Å; L139-Y163 HydrophobicContact CD2-CD2 3.79Å; L139-Y163 HydrophobicContact CD2-CE2 4.08Å; L139-I165 HydrophobicContact CD2-CB 4.13Å; L139-I165 HydrophobicContact CD2-CG2 3.67Å; L139-I165 HydrophobicContact CG-CG2 3.94Å | ||
| 140 | E | 90.5 | Very high | 91.5 | Very high | 175 Ų | 175 | 64.7 Ų | 64.7 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | trans | -86.2 | 156.2 | 171.3 | -64.4 | -175 | 172.9 | 0 | 0 | 110.4 | G142 | E140-G142 PolarHBondContact O-N 3.02Š| ||
| 141 | I | 89.6 | Confident | 91.4 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.185 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -71.9 | 125.2 | 176.7 | -54.2 | -171 | 0 | 0 | 0 | 109.1 | W101 I165 A174 C176 | W101-I141 HydrophobicContact CB-CD1 3.89Å; W101-I141 HydrophobicContact CB-CG1 4.3Å; W101-I141 HydrophobicContact CG-CD1 4.4Å; W101-I141 HydrophobicContact CG-CG1 4.28Å; I141-I165 WeakPolarHBondContact CA-O 3.18Å; I141-I165 HydrophobicContact CB-CG2 4.44Å; I141-I165 HydrophobicContact CG1-CG2 4.13Å; I141-I165 WeakPolarHBondContact CG2-O 3.21Å; I141-A174 WeakPolarHBondContact CD1-O 3.45Å; I141-C176 HydrophobicContact CD1-CB 4.35Å; I141-C176 WeakPolarHBondContact CD1-SG 3.48Å; I141-C176 VanDerWaalsContact CG2-SG 3.51Å |
| 142 | G | 89.4 | Confident | 90.7 | Very high | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -177.6 | 164.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E140 E144 I165 V166 | E140-G142 PolarHBondContact O-N 3.02Å; G142-E144 PolarHBondContact O-N 3.18Å; G142-I165 PolarHBondContact N-O 3.34Å; G142-I165 VanDerWaalsContact O-O 3.11Å; G142-V166 VanDerWaalsContact O-CG1 3.31Å; G142-V166 WeakPolarHBondContact O-CG1 3.31Å |
| 143 | P | 89.1 | Confident | 89.5 | Confident | 87 Ų | 87 | 76 Ų | 76 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -74.6 | -14.8 | -179.8 | 31.7 | -35.5 | 0 | 0 | 0 | 113.3 | R164 | P143-R164 VanDerWaalsContact O-CD 3.23Å; P143-R164 WeakPolarHBondContact O-CD 3.02Å; P143-R164 PolarHBondContact O-NH1 3.02Å |
| 144 | E | 92.8 | Very high | 88.2 | Confident | 154 Ų | 154 | 78 Ų | 78 | 72% | 0.72 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 135.7 | -174.6 | -64.3 | -56.7 | 143.6 | 0 | 0 | 112.7 | G142 R164 | G142-E144 PolarHBondContact O-N 3.18Å; E144-R164 VanDerWaalsContact O-CB 3.24Å; E144-R164 WeakPolarHBondContact O-CB 3.32Å |
| 145 | W | 93.9 | Very high | 87 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 126.2 | 179.5 | -73.4 | 97.2 | 0 | 0 | 0 | 111.6 | E26 D28 T92 S162 R164 | E26-W145 HydrophobicContact CB-CH2 3.76Å; E26-W145 HydrophobicContact CB-CZ3 4.23Å; D28-W145 HydrophobicContact CB-CH2 3.88Å; D28-W145 HydrophobicContact CB-CZ3 3.82Å; T92-W145 HydrophobicContact CG2-CH2 4.03Å; W145-S162 VanDerWaalsContact CE3-OG 3.28Å; W145-R164 HydrophobicContact CD2-CB 4.36Å; W145-R164 HydrophobicContact CD2-CG 3.97Å; W145-R164 HydrophobicContact CE3-CB 4.18Å; W145-R164 HydrophobicContact CE3-CG 3.89Å; W145-R164 HydrophobicContact CH2-CG 4.12Å; W145-R164 HydrophobicContact CZ2-CG 4.16Å; W145-R164 HydrophobicContact CZ3-CG 3.98Å |
| 146 | T | 95.1 | Very high | 86.6 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 116.7 | 170.3 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | V148 S162 Y163 | T146-V148 HydrophobicContact CG2-CG2 4.49Å; T146-S162 CarbonylContact O-C 3.54Å; T146-S162 WeakPolarHBondContact O-CA 3.41Å; T146-S162 WeakPolarHBondContact O-CB 3.36Å; T146-Y163 HydrophobicContact CG2-CE1 4.49Å; T146-Y163 HydrophobicContact CG2-CE2 3.85Å; T146-Y163 PolarHBondContact N-O 3.45Å; T146-Y163 PolarHBondContact O-N 2.86Å |
| 147 | Q | 93.5 | Very high | 86.6 | Confident | 158 Ų | 158 | 78.7 Ų | 78.7 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.3 | 178.9 | -68.1 | -174.7 | -26.3 | 0 | 0 | 111.8 | ||
| 148 | V | 93.5 | Very high | 86.7 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 18% | 0.176 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.3 | 179 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | T146 Q150 R160 Y161 Y163 | T146-V148 HydrophobicContact CG2-CG2 4.49Å; V148-Q150 HydrophobicContact CG1-CG 3.62Å; V148-R160 WeakPolarHBondContact O-CA 3.43Å; V148-Y161 HydrophobicContact CB-CE1 4.12Å; V148-Y161 HydrophobicContact CB-CE2 4.11Å; V148-Y161 HydrophobicContact CG1-CE1 4.15Å; V148-Y161 HydrophobicContact CG2-CE2 4.46Å; V148-Y161 PolarHBondContact N-O 3.01Å; V148-Y161 PolarHBondContact O-N 3.25Å; V148-Y161 VanDerWaalsContact O-O 3.1Å; V148-Y163 HydrophobicContact CB-CE1 4.49Å; V148-Y163 HydrophobicContact CG2-CD1 4.32Å; V148-Y163 HydrophobicContact CG2-CE1 3.43Å; V148-Y163 VanDerWaalsContact CG2-CE1 3.43Å |
| 149 | E | 93.1 | Very high | 86.8 | Confident | 113 Ų | 113 | 71 Ų | 71 | 53% | 0.528 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.8 | 171.8 | -179.4 | 168.9 | -176.9 | 0 | 0 | 108.4 | E158 L159 R160 | E149-E158 HydrophobicContact CG-CG 4.3Å; E149-L159 WeakPolarHBondContact CA-O 3.25Å; E149-R160 HydrophobicContact CB-CG 4.16Å; E149-R160 HydrophobicContact CG-CG 3.86Å; E149-R160 IonicContact OE1-CZ 3.75Å; E149-R160 VanDerWaalsContact OE1-CZ 3.22Å; E149-R160 IonicContact OE1-NE 2.68Å; E149-R160 PolarHBondContact OE1-NE 2.88Å; E149-R160 VanDerWaalsContact OE1-NE 3.14Å; E149-R160 IonicContact OE1-NH2 2.92Å; E149-R160 PolarHBondContact OE1-NH2 3.33Å; E149-R160 IonicContact OE2-CZ 3.25Å; E149-R160 IonicContact OE2-NE 3.77Å; E149-R160 IonicContact OE2-NH2 2.77Å |
| 150 | Q | 89.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.7 | -177.2 | -60.5 | -167.4 | -49.5 | 0 | 0 | 111.6 | F133 A134 V148 E158 L159 Y161 | F133-Q150 HydrophobicContact CD1-CB 3.93Å; F133-Q150 WeakPolarHBondContact CE1-O 3.46Å; A134-Q150 PolarHBondContact O-NE2 3.11Å; V148-Q150 HydrophobicContact CG1-CG 3.62Å; Q150-E158 CarbonylContact O-C 3.59Å; Q150-E158 WeakPolarHBondContact O-CA 3.33Å; Q150-L159 PolarHBondContact N-O 2.89Å; Q150-L159 PolarHBondContact O-N 2.98Å; Q150-Y161 VanDerWaalsContact CD-OH 3.3Å; Q150-Y161 HydrophobicContact CG-CE1 4.14Å; Q150-Y161 PolarHBondContact OE1-OH 2.9Å |
| 151 | T | 87.2 | Confident | 87.1 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 66% | 0.656 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.6 | 167.3 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | T157 | T151-T157 CarbonylContact C-O 3.55Å; T151-T157 WeakPolarHBondContact CA-O 3.35Å |
| 152 | G | 76.4 | Confident | 87.3 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | trans | -79.1 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S131 F133 G154 T155 T157 | S131-G152 WeakPolarHBondContact OG-CA 3.45Å; F133-G152 VanDerWaalsContact CE1-CA 3.41Å; F133-G152 VanDerWaalsContact CE1-N 3.3Å; G152-G154 PolarHBondContact O-N 3.31Å; G152-G154 VanDerWaalsContact O-N 3.09Å; G152-T155 PolarHBondContact O-N 3.27Å; G152-T157 PolarHBondContact N-O 2.79Å | ||
| 153 | M | 66.6 | Low | 87.6 | Confident | 166 Ų | 166 | 64.6 Ų | 64.6 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 112.6 | -179.6 | -154.6 | 175.7 | -164.9 | 0 | 0 | 110.2 | ||
| 154 | G | 63.3 | Low | 87.9 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | 16.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G152 Q156 | G152-G154 PolarHBondContact O-N 3.31Å; G152-G154 VanDerWaalsContact O-N 3.09Å; G154-Q156 PolarHBondContact O-N 3.21Å |
| 155 | T | 66.4 | Low | 87.9 | Confident | 132 Ų | 132 | 55.8 Ų | 55.8 | 81% | 0.81 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 54 | 12.6 | 170.8 | 66.6 | 0 | 0 | 0 | 0 | 117 | G152 | G152-T155 PolarHBondContact O-N 3.27Š|
| 156 | Q | 81.8 | Confident | 87.8 | Confident | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -108.1 | -9.4 | -177.1 | 66.4 | -167.7 | -7.2 | 0 | 0 | 113.6 | T35 K36 G154 | T35-Q156 PolarHBondContact N-O 2.91Å; T35-Q156 VanDerWaalsContact N-O 3.14Å; T35-Q156 PolarHBondContact OG1-O 3.28Å; T35-Q156 VanDerWaalsContact OG1-O 3.14Å; K36-Q156 HydrophobicContact CD-CB 4.19Å; K36-Q156 HydrophobicContact CG-CB 4.4Å; G154-Q156 PolarHBondContact O-N 3.21Å |
| 157 | T | 91.3 | Very high | 87.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.6 | 179.3 | 52.6 | 0 | 0 | 0 | 0 | 112 | F32 Q33 N34 I130 S131 T151 G152 | F32-T157 HydrophobicContact CE2-CG2 4.37Å; F32-T157 HydrophobicContact CZ-CG2 4.02Å; Q33-T157 CarbonylContact O-C 3.55Å; Q33-T157 WeakPolarHBondContact O-CA 3.01Å; Q33-T157 WeakPolarHBondContact O-CB 3.5Å; N34-T157 HydrophobicContact CB-CG2 4.01Å; I130-T157 HydrophobicContact CG2-CG2 4.11Å; S131-T157 VanDerWaalsContact CB-OG1 3.25Å; S131-T157 WeakPolarHBondContact CB-OG1 2.96Å; S131-T157 PolarHBondContact OG-OG1 2.78Å; T151-T157 CarbonylContact C-O 3.55Å; T151-T157 WeakPolarHBondContact CA-O 3.35Å; G152-T157 PolarHBondContact N-O 2.79Å |
| 158 | E | 93.6 | Very high | 87.4 | Confident | 31 Ų | 31 | 50 Ų | 50 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.5 | 176 | -172.7 | -172.8 | 122.5 | 0 | 0 | 109.1 | F32 Q33 E149 Q150 R160 | F32-E158 CarbonylContact C-O 3.53Å; F32-E158 WeakPolarHBondContact CA-O 3.01Å; F32-E158 WeakPolarHBondContact CD2-O 3.42Å; Q33-E158 HydrophobicContact CB-CB 4.01Å; Q33-E158 PolarHBondContact N-O 3.29Å; Q33-E158 PolarHBondContact O-N 3.2Å; E149-E158 HydrophobicContact CG-CG 4.3Å; Q150-E158 CarbonylContact O-C 3.59Å; Q150-E158 WeakPolarHBondContact O-CA 3.33Å; E158-R160 IonicContact OE1-CZ 3.93Å; E158-R160 VanDerWaalsContact OE1-CZ 3.23Å; E158-R160 IonicContact OE1-NE 3.75Å; E158-R160 PolarHBondContact OE1-NE 2.92Å; E158-R160 IonicContact OE1-NH2 3.98Å; E158-R160 PolarHBondContact OE1-NH2 3.12Å |
| 159 | L | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.1 | 175 | -177.9 | 70.9 | 0 | 0 | 0 | 110.1 | H31 F32 F54 I109 F133 E149 Q150 Y161 | H31-L159 WeakPolarHBondContact O-CA 3.36Å; F32-L159 HydrophobicContact CB-CD1 4.14Å; F32-L159 HydrophobicContact CD2-CB 4.38Å; F32-L159 HydrophobicContact CD2-CD1 4Å; F54-L159 HydrophobicContact CE1-CD1 3.76Å; F54-L159 HydrophobicContact CZ-CD1 4.07Å; I109-L159 HydrophobicContact CB-CD2 4.1Å; I109-L159 HydrophobicContact CD1-CD2 4.05Å; I109-L159 HydrophobicContact CG2-CD2 3.75Å; F133-L159 HydrophobicContact CB-CD2 4.36Å; F133-L159 HydrophobicContact CD1-CB 3.92Å; F133-L159 HydrophobicContact CD2-CB 4.15Å; F133-L159 HydrophobicContact CD2-CD2 3.79Å; F133-L159 HydrophobicContact CE1-CB 3.65Å; F133-L159 HydrophobicContact CE2-CB 3.93Å; F133-L159 HydrophobicContact CE2-CD2 4.21Å; F133-L159 HydrophobicContact CG-CB 4.15Å; F133-L159 HydrophobicContact CG-CD2 4Å; F133-L159 HydrophobicContact CZ-CB 3.67Å; E149-L159 WeakPolarHBondContact CA-O 3.25Å; Q150-L159 PolarHBondContact N-O 2.89Å; Q150-L159 PolarHBondContact O-N 2.98Å; L159-Y161 HydrophobicContact CD2-CD1 3.76Å; L159-Y161 HydrophobicContact CD2-CE1 4.1Å; L159-Y161 HydrophobicContact CG-CD1 3.84Å; L159-Y161 HydrophobicContact CG-CE1 4.47Å |
| 160 | R | 94.4 | Very high | 86.9 | Confident | 105 Ų | 105 | 53.2 Ų | 53.2 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.6 | 169.9 | -61.1 | 180 | -170.3 | -173.5 | -4.9 | 109.6 | H30 H31 V148 E149 E158 | H30-R160 HydrophobicContact CB-CB 4.23Å; H30-R160 WeakPolarHBondContact CB-O 3.34Å; H30-R160 PolarHBondContact N-O 2.8Å; H31-R160 HydrophobicContact CB-CB 4.13Å; H31-R160 HydrophobicContact CB-CG 4.4Å; H31-R160 PolarHBondContact N-O 3.39Å; H31-R160 PolarHBondContact O-N 2.86Å; V148-R160 WeakPolarHBondContact O-CA 3.43Å; E149-R160 HydrophobicContact CB-CG 4.16Å; E149-R160 HydrophobicContact CG-CG 3.86Å; E149-R160 IonicContact OE1-CZ 3.75Å; E149-R160 VanDerWaalsContact OE1-CZ 3.22Å; E149-R160 IonicContact OE1-NE 2.68Å; E149-R160 PolarHBondContact OE1-NE 2.88Å; E149-R160 VanDerWaalsContact OE1-NE 3.14Å; E149-R160 IonicContact OE1-NH2 2.92Å; E149-R160 PolarHBondContact OE1-NH2 3.33Å; E149-R160 IonicContact OE2-CZ 3.25Å; E149-R160 IonicContact OE2-NE 3.77Å; E149-R160 IonicContact OE2-NH2 2.77Å; E158-R160 IonicContact OE1-CZ 3.93Å; E158-R160 VanDerWaalsContact OE1-CZ 3.23Å; E158-R160 IonicContact OE1-NE 3.75Å; E158-R160 PolarHBondContact OE1-NE 2.92Å; E158-R160 IonicContact OE1-NH2 3.98Å; E158-R160 PolarHBondContact OE1-NH2 3.12Å |
| 161 | Y | 94 | Very high | 86.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.1 | -178.8 | 61.9 | -80.5 | 0 | 0 | 0 | 110.4 | I27 D28 L107 I109 T135 V148 Q150 L159 Y163 | I27-Y161 HydrophobicContact CG2-CD2 4.47Å; D28-Y161 CarbonylContact O-C 3.4Å; D28-Y161 WeakPolarHBondContact O-CA 3.45Å; D28-Y161 WeakPolarHBondContact O-CB 3.4Å; L107-Y161 HydrophobicContact CD2-CE2 3.86Å; I109-Y161 HydrophobicContact CD1-CD1 4.12Å; I109-Y161 HydrophobicContact CD1-CD2 3.75Å; I109-Y161 HydrophobicContact CD1-CE1 4.13Å; I109-Y161 HydrophobicContact CD1-CE2 3.77Å; I109-Y161 HydrophobicContact CD1-CG 3.92Å; T135-Y161 WeakPolarHBondContact CB-OH 3.36Å; T135-Y161 VanDerWaalsContact CG2-OH 3.3Å; T135-Y161 WeakPolarHBondContact CG2-OH 3.49Å; V148-Y161 HydrophobicContact CB-CE1 4.12Å; V148-Y161 HydrophobicContact CB-CE2 4.11Å; V148-Y161 HydrophobicContact CG1-CE1 4.15Å; V148-Y161 HydrophobicContact CG2-CE2 4.46Å; V148-Y161 PolarHBondContact N-O 3.01Å; V148-Y161 PolarHBondContact O-N 3.25Å; V148-Y161 VanDerWaalsContact O-O 3.1Å; Q150-Y161 VanDerWaalsContact CD-OH 3.3Å; Q150-Y161 HydrophobicContact CG-CE1 4.14Å; Q150-Y161 PolarHBondContact OE1-OH 2.9Å; L159-Y161 HydrophobicContact CD2-CD1 3.76Å; L159-Y161 HydrophobicContact CD2-CE1 4.1Å; L159-Y161 HydrophobicContact CG-CD1 3.84Å; L159-Y161 HydrophobicContact CG-CE1 4.47Å; Y161-Y163 AromaticContact CD2-CD1 3.96Å; Y161-Y163 HydrophobicContact CD2-CD1 3.96Å; Y161-Y163 AromaticContact CE2-CD1 3.69Å; Y161-Y163 HydrophobicContact CE2-CD1 3.69Å; Y161-Y163 AromaticContact CE2-CE1 3.94Å; Y161-Y163 HydrophobicContact CE2-CE1 3.94Å |
| 162 | S | 94.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152 | 167.5 | 56.1 | 0 | 0 | 0 | 0 | 110.9 | I27 D28 H30 W145 T146 | I27-S162 CarbonylContact C-O 3.58Å; I27-S162 WeakPolarHBondContact CA-O 3.32Å; D28-S162 PolarHBondContact N-O 2.94Å; D28-S162 PolarHBondContact O-N 2.83Å; H30-S162 PolarHBondContact NE2-OG 2.72Å; W145-S162 VanDerWaalsContact CE3-OG 3.28Å; T146-S162 CarbonylContact O-C 3.54Å; T146-S162 WeakPolarHBondContact O-CA 3.41Å; T146-S162 WeakPolarHBondContact O-CB 3.36Å |
| 163 | Y | 95.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.6 | 172.7 | 56.1 | -100.4 | 0 | 0 | 0 | 111 | F25 E26 F105 L107 T135 L139 T146 V148 Y161 | F25-Y163 HydrophobicContact CE1-CG 4.47Å; F25-Y163 AromaticContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CD2 3.98Å; F25-Y163 HydrophobicContact CZ-CG 4.02Å; E26-Y163 CarbonylContact O-C 3.56Å; E26-Y163 WeakPolarHBondContact O-CA 3.24Å; E26-Y163 WeakPolarHBondContact O-CB 3.12Å; F105-Y163 HydrophobicContact CE1-CE2 4.19Å; F105-Y163 AromaticContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CD2 3.99Å; F105-Y163 HydrophobicContact CZ-CE1 4.43Å; F105-Y163 AromaticContact CZ-CE2 3.58Å; F105-Y163 HydrophobicContact CZ-CE2 3.58Å; F105-Y163 AromaticContact CZ-CZ 3.83Å; L107-Y163 HydrophobicContact CD2-CD1 4.21Å; T135-Y163 HydrophobicContact CG2-CE1 4.5Å; L139-Y163 HydrophobicContact CD1-CE2 4.31Å; L139-Y163 HydrophobicContact CD2-CD2 3.79Å; L139-Y163 HydrophobicContact CD2-CE2 4.08Å; T146-Y163 HydrophobicContact CG2-CE1 4.49Å; T146-Y163 HydrophobicContact CG2-CE2 3.85Å; T146-Y163 PolarHBondContact N-O 3.45Å; T146-Y163 PolarHBondContact O-N 2.86Å; V148-Y163 HydrophobicContact CB-CE1 4.49Å; V148-Y163 HydrophobicContact CG2-CD1 4.32Å; V148-Y163 HydrophobicContact CG2-CE1 3.43Å; V148-Y163 VanDerWaalsContact CG2-CE1 3.43Å; Y161-Y163 AromaticContact CD2-CD1 3.96Å; Y161-Y163 HydrophobicContact CD2-CD1 3.96Å; Y161-Y163 AromaticContact CE2-CD1 3.69Å; Y161-Y163 HydrophobicContact CE2-CD1 3.69Å; Y161-Y163 AromaticContact CE2-CE1 3.94Å; Y161-Y163 HydrophobicContact CE2-CE1 3.94Å |
| 164 | R | 94.9 | Very high | 88 | Confident | 56 Ų | 56 | 48.9 Ų | 48.9 | 21% | 0.211 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 168.1 | 169.5 | 67.4 | 177.3 | -178.2 | -174.9 | -0.6 | 109.7 | E26 P143 E144 W145 V166 | E26-R164 HydrophobicContact CB-CG 4.16Å; E26-R164 PolarHBondContact N-O 3.37Å; E26-R164 PolarHBondContact O-N 2.03Å; E26-R164 IonicContact OE2-CZ 3.23Å; E26-R164 VanDerWaalsContact OE2-CZ 3.25Å; E26-R164 IonicContact OE2-NE 3.14Å; E26-R164 PolarHBondContact OE2-NE 2.93Å; E26-R164 IonicContact OE2-NH2 2.86Å; E26-R164 PolarHBondContact OE2-NH2 2.68Å; P143-R164 VanDerWaalsContact O-CD 3.23Å; P143-R164 WeakPolarHBondContact O-CD 3.02Å; P143-R164 PolarHBondContact O-NH1 3.02Å; E144-R164 VanDerWaalsContact O-CB 3.24Å; E144-R164 WeakPolarHBondContact O-CB 3.32Å; W145-R164 HydrophobicContact CD2-CB 4.36Å; W145-R164 HydrophobicContact CD2-CG 3.97Å; W145-R164 HydrophobicContact CE3-CB 4.18Å; W145-R164 HydrophobicContact CE3-CG 3.89Å; W145-R164 HydrophobicContact CH2-CG 4.12Å; W145-R164 HydrophobicContact CZ2-CG 4.16Å; W145-R164 HydrophobicContact CZ3-CG 3.98Å; R164-V166 HydrophobicContact CG-CG1 4.3Å |
| 165 | I | 92.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.8 | 170.2 | -171.9 | 175.7 | 0 | 0 | 0 | 109.5 | V24 F25 L97 W101 L139 I141 G142 | V24-I165 WeakPolarHBondContact O-CA 3.38Å; F25-I165 HydrophobicContact CD2-CB 4Å; F25-I165 HydrophobicContact CD2-CD1 4.34Å; F25-I165 HydrophobicContact CD2-CG1 4.4Å; L97-I165 HydrophobicContact CD1-CD1 4.02Å; W101-I165 HydrophobicContact CB-CD1 3.97Å; W101-I165 HydrophobicContact CD2-CD1 3.2Å; W101-I165 HydrophobicContact CE3-CD1 3.22Å; W101-I165 HydrophobicContact CG-CD1 3.53Å; W101-I165 HydrophobicContact CH2-CD1 4.29Å; W101-I165 HydrophobicContact CZ2-CD1 4.28Å; W101-I165 HydrophobicContact CZ2-CG2 4.49Å; W101-I165 HydrophobicContact CZ3-CD1 3.81Å; L139-I165 HydrophobicContact CD2-CB 4.13Å; L139-I165 HydrophobicContact CD2-CG2 3.67Å; L139-I165 HydrophobicContact CG-CG2 3.94Å; I141-I165 WeakPolarHBondContact CA-O 3.18Å; I141-I165 HydrophobicContact CB-CG2 4.44Å; I141-I165 HydrophobicContact CG1-CG2 4.13Å; I141-I165 WeakPolarHBondContact CG2-O 3.21Å; G142-I165 PolarHBondContact N-O 3.34Å; G142-I165 VanDerWaalsContact O-O 3.11Å |
| 166 | V | 92.6 | Very high | 90 | Very high | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.17 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 157.5 | -176.9 | -67.5 | 0 | 0 | 0 | 0 | 110 | S23 V24 E26 G142 R164 | S23-V166 CarbonylContact C-O 3.58Å; S23-V166 VanDerWaalsContact CA-O 3.29Å; S23-V166 WeakPolarHBondContact CA-O 3.49Å; S23-V166 WeakPolarHBondContact CB-O 3.25Å; V24-V166 HydrophobicContact CB-CG2 4.46Å; V24-V166 PolarHBondContact N-O 3.5Å; V24-V166 PolarHBondContact O-N 2.82Å; E26-V166 HydrophobicContact CG-CG2 4.37Å; G142-V166 VanDerWaalsContact O-CG1 3.31Å; G142-V166 WeakPolarHBondContact O-CG1 3.31Å; R164-V166 HydrophobicContact CG-CG1 4.3Å |
| 167 | C | 91.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 150.6 | 171.9 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | Y171 C176 | C167-Y171 WeakPolarHBondContact CB-O 3.44Å; C167-C176 WeakPolarHBondContact CA-SG 3.42Å; C167-C176 HydrophobicContact CB-CB 3.67Å; C167-C176 WeakPolarHBondContact CB-SG 3.48Å; C167-C176 WeakPolarHBondContact SG-CA 3.36Å; C167-C176 WeakPolarHBondContact SG-CB 3.02Å; C167-C176 CovalentContact SG-SG 2.04Å; C167-C176 PolarHBondContact SG-SG 2.84Å |
| 168 | K | 89.1 | Confident | 89.9 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 156.9 | 168.9 | -170 | 174.5 | 179.7 | -176.9 | 0 | 109.5 | S22 N170 Y171 | S22-K168 PolarHBondContact O-N 2.89Å; S22-K168 WeakPolarHBondContact OG-CD 3.22Å; K168-N170 PolarHBondContact O-N 3.27Å; K168-Y171 HydrophobicContact CB-CD2 3.97Å; K168-Y171 WeakPolarHBondContact O-CB 3.27Å; K168-Y171 PolarHBondContact O-N 3.25Å |
| 169 | E | 87 | Confident | 89.6 | Confident | 162 Ų | 162 | 51.5 Ų | 51.5 | 76% | 0.757 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 132.1 | 174.5 | -164.7 | -179.3 | -178.9 | 0 | 0 | 111.4 | Y171 | E169-Y171 PolarHBondContact O-N 2.79Š|
| 170 | N | 87.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 4.2 | -175.1 | -49.4 | -56.6 | 0 | 0 | 0 | 116.6 | K168 Y172 I179 C180 T181 | K168-N170 PolarHBondContact O-N 3.27Å; N170-Y172 VanDerWaalsContact C-CE2 3.45Å; N170-Y172 WeakPolarHBondContact O-CD2 3.23Å; N170-Y172 WeakPolarHBondContact O-CE2 3.39Å; N170-I179 WeakPolarHBondContact O-CA 3.06Å; N170-C180 WeakPolarHBondContact CB-O 3.34Å; N170-C180 PolarHBondContact O-N 3.41Å; N170-T181 HydrophobicContact CB-CG2 3.65Å |
| 171 | Y | 88.6 | Confident | 89.4 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 143.2 | 170.9 | -72.4 | -99.7 | 0 | 0 | 0 | 111.1 | C167 K168 E169 C176 K178 I179 | C167-Y171 WeakPolarHBondContact CB-O 3.44Å; K168-Y171 HydrophobicContact CB-CD2 3.97Å; K168-Y171 WeakPolarHBondContact O-CB 3.27Å; K168-Y171 PolarHBondContact O-N 3.25Å; E169-Y171 PolarHBondContact O-N 2.79Å; Y171-C176 WeakPolarHBondContact CD1-O 3.23Å; Y171-K178 CarbonylContact C-O 3.53Å; Y171-K178 VanDerWaalsContact CA-O 3.24Å; Y171-K178 WeakPolarHBondContact CA-O 3.44Å; Y171-I179 HydrophobicContact CD1-CD1 4.43Å; Y171-I179 HydrophobicContact CD1-CG1 3.7Å; Y171-I179 HydrophobicContact CE1-CD1 3.63Å; Y171-I179 HydrophobicContact CE1-CG1 3.39Å; Y171-I179 HydrophobicContact CE2-CG1 4.47Å; Y171-I179 HydrophobicContact CG-CG1 4.4Å |
| 172 | Y | 87.6 | Confident | 89.4 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 172.7 | -173 | -56.8 | -94.1 | 0 | 0 | 0 | 112.6 | N170 C176 S177 K178 C180 C192 P194 | N170-Y172 VanDerWaalsContact C-CE2 3.45Å; N170-Y172 WeakPolarHBondContact O-CD2 3.23Å; N170-Y172 WeakPolarHBondContact O-CE2 3.39Å; Y172-C176 WeakPolarHBondContact O-CA 3.02Å; Y172-S177 PolarHBondContact O-N 2.79Å; Y172-K178 PolarHBondContact N-O 3.21Å; Y172-K178 PolarHBondContact O-N 3.29Å; Y172-C180 HydrophobicContact CD2-CB 4.04Å; Y172-C180 HydrophobicContact CE2-CB 3.81Å; Y172-C180 WeakPolarHBondContact CE2-O 3.42Å; Y172-C192 HydrophobicContact CE2-CB 4.32Å; Y172-P194 WeakPolarHBondContact CD1-O 3.5Å |
| 173 | G | 84.8 | Confident | 89.3 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 170.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T175 C176 | G173-T175 PolarHBondContact O-N 3.41Å; G173-C176 PolarHBondContact O-N 2.97Å |
| 174 | A | 83 | Confident | 89.3 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 74% | 0.744 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I141 | I141-A174 WeakPolarHBondContact CD1-O 3.45Š|
| 175 | T | 83.2 | Confident | 89.2 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 3.6 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | G21 T100 G173 S177 | G21-T175 WeakPolarHBondContact CA-O 3.2Å; T100-T175 HydrophobicContact CG2-CG2 3.86Å; G173-T175 PolarHBondContact O-N 3.41Å; T175-S177 PolarHBondContact O-N 2.02Å; T175-S177 PolarHBondContact OG1-OG 3.25Å |
| 176 | C | 87.7 | Confident | 89 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 40.2 | -173.4 | -58.5 | 0 | 0 | 0 | 0 | 114 | G21 S22 I141 C167 Y171 Y172 G173 | G21-C176 CarbonylContact C-O 3.55Å; G21-C176 WeakPolarHBondContact CA-O 3.48Å; S22-C176 PolarHBondContact N-O 2.74Å; S22-C176 VanDerWaalsContact O-CB 3.32Å; S22-C176 WeakPolarHBondContact O-CB 3.09Å; I141-C176 HydrophobicContact CD1-CB 4.35Å; I141-C176 WeakPolarHBondContact CD1-SG 3.48Å; I141-C176 VanDerWaalsContact CG2-SG 3.51Å; C167-C176 WeakPolarHBondContact CA-SG 3.42Å; C167-C176 HydrophobicContact CB-CB 3.67Å; C167-C176 WeakPolarHBondContact CB-SG 3.48Å; C167-C176 WeakPolarHBondContact SG-CA 3.36Å; C167-C176 WeakPolarHBondContact SG-CB 3.02Å; C167-C176 CovalentContact SG-SG 2.04Å; C167-C176 PolarHBondContact SG-SG 2.84Å; Y171-C176 WeakPolarHBondContact CD1-O 3.23Å; Y172-C176 WeakPolarHBondContact O-CA 3.02Å; G173-C176 PolarHBondContact O-N 2.97Å |
| 177 | S | 84.4 | Confident | 89 | Confident | 31 Ų | 31 | 77 Ų | 77 | 22% | 0.217 | 39% | 0.392 | C | S | . | . | trans | -111.2 | -17.6 | -175.1 | 56 | 0 | 0 | 0 | 0 | 114.2 | Y172 T175 | Y172-S177 PolarHBondContact O-N 2.79Å; T175-S177 PolarHBondContact O-N 2.02Å; T175-S177 PolarHBondContact OG1-OG 3.25Å | ||
| 178 | K | 86.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.6 | 176.2 | -65.8 | -177.9 | 179.6 | -179.9 | 0 | 108.3 | Y171 Y172 D195 | Y171-K178 CarbonylContact C-O 3.53Å; Y171-K178 VanDerWaalsContact CA-O 3.24Å; Y171-K178 WeakPolarHBondContact CA-O 3.44Å; Y172-K178 PolarHBondContact N-O 3.21Å; Y172-K178 PolarHBondContact O-N 3.29Å; K178-D195 WeakPolarHBondContact CD-O 3.28Å |
| 179 | I | 88.2 | Confident | 89.4 | Confident | 110 Ų | 110 | 71.1 Ų | 71.1 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.5 | 178.5 | -58 | 171.5 | 0 | 0 | 0 | 107.9 | N170 Y171 | N170-I179 WeakPolarHBondContact O-CA 3.06Å; Y171-I179 HydrophobicContact CD1-CD1 4.43Å; Y171-I179 HydrophobicContact CD1-CG1 3.7Å; Y171-I179 HydrophobicContact CE1-CD1 3.63Å; Y171-I179 HydrophobicContact CE1-CG1 3.39Å; Y171-I179 HydrophobicContact CE2-CG1 4.47Å; Y171-I179 HydrophobicContact CG-CG1 4.4Å |
| 180 | C | 91.6 | Very high | 89.8 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | trans | -144.3 | 123 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | N170 Y172 C192 | N170-C180 WeakPolarHBondContact CB-O 3.34Å; N170-C180 PolarHBondContact O-N 3.41Å; Y172-C180 HydrophobicContact CD2-CB 4.04Å; Y172-C180 HydrophobicContact CE2-CB 3.81Å; Y172-C180 WeakPolarHBondContact CE2-O 3.42Å; C180-C192 HydrophobicContact CB-CB 3.77Å; C180-C192 WeakPolarHBondContact CB-SG 3.36Å; C180-C192 PolarHBondContact O-SG 2.78Å; C180-C192 VanDerWaalsContact O-SG 3.37Å; C180-C192 WeakPolarHBondContact SG-CB 3.29Å; C180-C192 CovalentContact SG-SG 2.03Å; C180-C192 PolarHBondContact SG-SG 2.81Å | ||
| 181 | T | 92.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 64.8 Ų | 64.8 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | trans | -116.5 | 122.7 | 172 | 40.4 | 0 | 0 | 0 | 0 | 108.5 | N170 R183 Y190 | N170-T181 HydrophobicContact CB-CG2 3.65Å; T181-R183 PolarHBondContact O-N 3.38Å; T181-Y190 VanDerWaalsContact O-CE2 3.23Å; T181-Y190 WeakPolarHBondContact O-CE2 3.35Å | ||
| 182 | P | 93.6 | Very high | 90.4 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | trans | -53.9 | 141.4 | 174.8 | -25.6 | 34.9 | 0 | 0 | 0 | 111.3 | Y190 C192 | P182-Y190 WeakPolarHBondContact CA-O 3.26Å; P182-C192 HydrophobicContact CG-CB 4.49Å | ||
| 183 | R | 92.9 | Very high | 90.5 | Very high | 88 Ų | 88 | 62.1 Ų | 62.1 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 142.2 | -173.9 | -169.6 | -179.1 | -61.9 | -165.5 | -1.9 | 111.1 | T181 D185 F187 G188 H189 Y190 | T181-R183 PolarHBondContact O-N 3.38Å; R183-D185 VanDerWaalsContact CD-OD1 3.28Å; R183-D185 WeakPolarHBondContact CD-OD1 3.31Å; R183-D185 WeakPolarHBondContact CG-OD2 3.34Å; R183-F187 VanDerWaalsContact NH1-CB 3.27Å; R183-G188 CarbonylContact C-O 3.58Å; R183-G188 WeakPolarHBondContact CG-O 3.38Å; R183-H189 CarbonylContact O-C 3.57Å; R183-H189 WeakPolarHBondContact O-CA 3.19Å; R183-Y190 HydrophobicContact CB-CE1 4.09Å; R183-Y190 HydrophobicContact CB-CE2 4.34Å; R183-Y190 PolarHBondContact N-O 2.91Å; R183-Y190 PolarHBondContact O-N 3.29Å; R183-Y190 VanDerWaalsContact O-O 3.12Å |
| 184 | D | 94.4 | Very high | 90.5 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 72.7 | 173.4 | -171.3 | 20.3 | 0 | 0 | 0 | 109.4 | G188 H189 L201 | D184-G188 WeakPolarHBondContact CA-O 3.47Å; D184-H189 IonicContact OD1-CE1 3.96Å; D184-H189 IonicContact OD1-CG 3.26Å; D184-H189 IonicContact OD1-ND1 2.79Å; D184-H189 PolarHBondContact OD1-ND1 3.1Å; D184-L201 HydrophobicContact CB-CD1 4.33Å |
| 185 | D | 93.1 | Very high | 90.7 | Very high | 67 Ų | 67 | 67.4 Ų | 67.4 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | -176 | -179.5 | 68.7 | 37.5 | 0 | 0 | 0 | 110.9 | R183 F187 G188 H189 | R183-D185 VanDerWaalsContact CD-OD1 3.28Å; R183-D185 WeakPolarHBondContact CD-OD1 3.31Å; R183-D185 WeakPolarHBondContact CG-OD2 3.34Å; D185-F187 PolarHBondContact O-N 3.5Å; D185-F187 WeakPolarHBondContact OD1-CA 3.3Å; D185-F187 VanDerWaalsContact OD1-CB 3.27Å; D185-F187 WeakPolarHBondContact OD1-CB 3.5Å; D185-F187 WeakPolarHBondContact OD1-CD2 3.47Å; D185-F187 PolarHBondContact OD1-N 2.93Å; D185-G188 PolarHBondContact N-O 3Å; D185-G188 VanDerWaalsContact N-O 3.1Å; D185-G188 CarbonylContact O-C 3.57Å; D185-G188 PolarHBondContact O-N 2.97Å; D185-H189 PolarHBondContact O-CE1 2.97Å; D185-H189 VanDerWaalsContact O-CE1 3.29Å; D185-H189 PolarHBondContact O-NE2 3.11Å; D185-H189 VanDerWaalsContact O-NE2 3.11Å |
| 186 | R | 89.8 | Confident | 90.9 | Very high | 209 Ų | 209 | 65.1 Ų | 65.1 | 79% | 0.789 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -16 | -178.6 | 72.2 | 177.5 | -174.5 | -175.5 | -1.9 | 115.7 | ||
| 187 | F | 91.3 | Very high | 91 | Very high | 111 Ų | 111 | 70.5 Ų | 70.5 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -3.9 | -178.7 | -58.9 | -74.9 | 0 | 0 | 0 | 112.9 | R183 D185 | R183-F187 VanDerWaalsContact NH1-CB 3.27Å; D185-F187 PolarHBondContact O-N 3.5Å; D185-F187 WeakPolarHBondContact OD1-CA 3.3Å; D185-F187 VanDerWaalsContact OD1-CB 3.27Å; D185-F187 WeakPolarHBondContact OD1-CB 3.5Å; D185-F187 WeakPolarHBondContact OD1-CD2 3.47Å; D185-F187 PolarHBondContact OD1-N 2.93Å |
| 188 | G | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | 150 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R183 D184 D185 Y208 | R183-G188 CarbonylContact C-O 3.58Å; R183-G188 WeakPolarHBondContact CG-O 3.38Å; D184-G188 WeakPolarHBondContact CA-O 3.47Å; D185-G188 PolarHBondContact N-O 3Å; D185-G188 VanDerWaalsContact N-O 3.1Å; D185-G188 CarbonylContact O-C 3.57Å; D185-G188 PolarHBondContact O-N 2.97Å; G188-Y208 VanDerWaalsContact CA-O 3.3Å; G188-Y208 WeakPolarHBondContact CA-O 3.39Å |
| 189 | H | 95.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 71.4 Ų | 71.4 | 11% | 0.111 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 84.7 | -176.9 | -58.9 | -86.2 | 0 | 0 | 0 | 109.4 | R183 D184 D185 L201 W204 C209 | R183-H189 CarbonylContact O-C 3.57Å; R183-H189 WeakPolarHBondContact O-CA 3.19Å; D184-H189 IonicContact OD1-CE1 3.96Å; D184-H189 IonicContact OD1-CG 3.26Å; D184-H189 IonicContact OD1-ND1 2.79Å; D184-H189 PolarHBondContact OD1-ND1 3.1Å; D185-H189 PolarHBondContact O-CE1 2.97Å; D185-H189 VanDerWaalsContact O-CE1 3.29Å; D185-H189 PolarHBondContact O-NE2 3.11Å; D185-H189 VanDerWaalsContact O-NE2 3.11Å; H189-L201 HydrophobicContact CB-CB 4.34Å; H189-L201 HydrophobicContact CB-CD1 4.15Å; H189-L201 PolarHBondContact O-N 2.72Å; H189-W204 HydrophobicContact CB-CB 4.16Å; H189-W204 HydrophobicContact CB-CD2 3.68Å; H189-W204 HydrophobicContact CB-CE3 4.38Å; H189-W204 HydrophobicContact CB-CG 3.53Å; H189-W204 AromaticContact CD2-CD2 3.31Å; H189-W204 AromaticContact CD2-CE2 3.32Å; H189-W204 AromaticContact CD2-CE3 3.28Å; H189-W204 AromaticContact CD2-CH2 3.34Å; H189-W204 WeakPolarHBondContact CD2-CH2 3.43Å; H189-W204 AromaticContact CD2-CZ2 3.36Å; H189-W204 WeakPolarHBondContact CD2-CZ2 3.28Å; H189-W204 AromaticContact CD2-CZ3 3.29Å; H189-W204 WeakPolarHBondContact CD2-CZ3 3.04Å; H189-W204 AromaticContact CE1-CH2 3.9Å; H189-W204 AromaticContact CE1-CZ2 3.59Å; H189-W204 AromaticContact CG-CD2 3.55Å; H189-W204 AromaticContact CG-CE2 3.37Å; H189-W204 AromaticContact CG-CG 3.97Å; H189-W204 AromaticContact CG-CZ2 3.72Å; H189-W204 AromaticContact CG-NE1 3.63Å; H189-W204 AromaticContact ND1-CE2 3.83Å; H189-W204 AromaticContact ND1-CZ2 3.85Å; H189-W204 AromaticContact ND1-NE1 3.99Å; H189-W204 AromaticContact NE2-CE2 3.77Å; H189-W204 AromaticContact NE2-CH2 3.13Å; H189-W204 WeakPolarHBondContact NE2-CH2 3.08Å; H189-W204 AromaticContact NE2-CZ2 3.27Å; H189-W204 VanDerWaalsContact NE2-CZ2 3.27Å; H189-W204 WeakPolarHBondContact NE2-CZ2 3.06Å; H189-W204 AromaticContact NE2-CZ3 3.52Å; H189-C209 PolarHBondContact N-O 3.48Å; H189-C209 VanDerWaalsContact O-CB 3.23Å; H189-C209 WeakPolarHBondContact O-CB 3.34Å |
| 190 | Y | 96.1 | Very high | 92.2 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.1 | -172.4 | 60.4 | -96.9 | 0 | 0 | 0 | 114.9 | T181 P182 R183 I198 D199 Y208 C209 | T181-Y190 VanDerWaalsContact O-CE2 3.23Å; T181-Y190 WeakPolarHBondContact O-CE2 3.35Å; P182-Y190 WeakPolarHBondContact CA-O 3.26Å; R183-Y190 HydrophobicContact CB-CE1 4.09Å; R183-Y190 HydrophobicContact CB-CE2 4.34Å; R183-Y190 PolarHBondContact N-O 2.91Å; R183-Y190 PolarHBondContact O-N 3.29Å; R183-Y190 VanDerWaalsContact O-O 3.12Å; Y190-I198 HydrophobicContact CD1-CG2 4.03Å; Y190-I198 HydrophobicContact CD2-CB 4.39Å; Y190-I198 HydrophobicContact CD2-CG1 4.06Å; Y190-I198 HydrophobicContact CD2-CG2 3.85Å; Y190-I198 HydrophobicContact CE1-CD1 4.48Å; Y190-I198 HydrophobicContact CE2-CD1 4.26Å; Y190-I198 HydrophobicContact CE2-CG1 4.06Å; Y190-I198 HydrophobicContact CG-CG2 3.56Å; Y190-D199 CarbonylContact C-O 3.48Å; Y190-D199 VanDerWaalsContact CA-O 3.27Å; Y190-D199 WeakPolarHBondContact CA-O 3.38Å; Y190-D199 WeakPolarHBondContact CB-O 3.43Å; Y190-Y208 VanDerWaalsContact CD1-O 3.31Å; Y190-Y208 WeakPolarHBondContact CD1-O 3.45Å; Y190-C209 HydrophobicContact CD1-CB 4.13Å |
| 191 | T | 95.7 | Very high | 92.4 | Very high | 59 Ų | 59 | 70.2 Ų | 70.2 | 36% | 0.362 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 174 | 168 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | D199 L201 | T191-D199 PolarHBondContact N-O 3.39Å; T191-D199 PolarHBondContact O-N 2.04Å; T191-L201 HydrophobicContact CG2-CD2 3.97Å |
| 192 | C | 93.3 | Very high | 92.5 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 16% | 0.155 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.5 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | Y172 C180 P182 | Y172-C192 HydrophobicContact CE2-CB 4.32Å; C180-C192 HydrophobicContact CB-CB 3.77Å; C180-C192 WeakPolarHBondContact CB-SG 3.36Å; C180-C192 PolarHBondContact O-SG 2.78Å; C180-C192 VanDerWaalsContact O-SG 3.37Å; C180-C192 WeakPolarHBondContact SG-CB 3.29Å; C180-C192 CovalentContact SG-SG 2.03Å; C180-C192 PolarHBondContact SG-SG 2.81Å; P182-C192 HydrophobicContact CG-CB 4.49Å |
| 193 | T | 90.2 | Very high | 92.5 | Very high | 37 Ų | 37 | 70.8 Ų | 70.8 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | trans | -66.1 | 163.5 | 170.5 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | D195 G196 Q197 D199 | T193-D195 PolarHBondContact O-N 3.4Å; T193-D195 VanDerWaalsContact O-N 3.11Å; T193-G196 WeakPolarHBondContact O-CA 3.27Å; T193-G196 PolarHBondContact O-N 3.31Å; T193-Q197 PolarHBondContact N-O 3.35Å; T193-Q197 WeakPolarHBondContact OG1-CA 3.34Å; T193-Q197 WeakPolarHBondContact OG1-CB 3.13Å; T193-Q197 PolarHBondContact OG1-N 3.05Å; T193-Q197 PolarHBondContact OG1-O 3.41Å; T193-D199 HydrophobicContact CG2-CB 3.89Å | ||
| 194 | P | 84.9 | Confident | 92.7 | Very high | 122 Ų | 122 | 68.9 Ų | 68.9 | 79% | 0.792 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.7 | 174.7 | -27.2 | 36.2 | 0 | 0 | 0 | 114.6 | Y172 G196 | Y172-P194 WeakPolarHBondContact CD1-O 3.5Å; P194-G196 VanDerWaalsContact C-N 3.29Å |
| 195 | D | 85.8 | Confident | 92.7 | Very high | 101 Ų | 101 | 68.4 Ų | 68.4 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.3 | 175.8 | -67.2 | -43.2 | 0 | 0 | 0 | 113.7 | K178 T193 Q197 | K178-D195 WeakPolarHBondContact CD-O 3.28Å; T193-D195 PolarHBondContact O-N 3.4Å; T193-D195 VanDerWaalsContact O-N 3.11Å; D195-Q197 HydrophobicContact CB-CG 4.47Å |
| 196 | G | 87.6 | Confident | 92.7 | Very high | 9 Ų | 9 | 67 Ų | 67 | 9% | 0.093 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 73.7 | 22.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T193 P194 | T193-G196 WeakPolarHBondContact O-CA 3.27Å; T193-G196 PolarHBondContact O-N 3.31Å; P194-G196 VanDerWaalsContact C-N 3.29Å |
| 197 | Q | 90.8 | Very high | 92.8 | Very high | 113 Ų | 113 | 64.3 Ų | 64.3 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | trans | -85 | 146.8 | 168.9 | -54.4 | -172.8 | 13.7 | 0 | 0 | 110.1 | T193 D195 | T193-Q197 PolarHBondContact N-O 3.35Å; T193-Q197 WeakPolarHBondContact OG1-CA 3.34Å; T193-Q197 WeakPolarHBondContact OG1-CB 3.13Å; T193-Q197 PolarHBondContact OG1-N 3.05Å; T193-Q197 PolarHBondContact OG1-O 3.41Å; D195-Q197 HydrophobicContact CB-CG 4.47Å | ||
| 198 | I | 92.6 | Very high | 92.9 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 129 | 173.8 | -68.4 | 178.7 | 0 | 0 | 0 | 108.9 | Y190 Y208 C209 | Y190-I198 HydrophobicContact CD1-CG2 4.03Å; Y190-I198 HydrophobicContact CD2-CB 4.39Å; Y190-I198 HydrophobicContact CD2-CG1 4.06Å; Y190-I198 HydrophobicContact CD2-CG2 3.85Å; Y190-I198 HydrophobicContact CE1-CD1 4.48Å; Y190-I198 HydrophobicContact CE2-CD1 4.26Å; Y190-I198 HydrophobicContact CE2-CG1 4.06Å; Y190-I198 HydrophobicContact CG-CG2 3.56Å; I198-Y208 HydrophobicContact CD1-CD1 4.06Å; I198-C209 WeakPolarHBondContact CG2-SG 3.41Å |
| 199 | D | 95.1 | Very high | 93 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112.5 | 173.3 | -172.2 | 28.4 | 0 | 0 | 0 | 109.7 | Y190 T191 T193 | Y190-D199 CarbonylContact C-O 3.48Å; Y190-D199 VanDerWaalsContact CA-O 3.27Å; Y190-D199 WeakPolarHBondContact CA-O 3.38Å; Y190-D199 WeakPolarHBondContact CB-O 3.43Å; T191-D199 PolarHBondContact N-O 3.39Å; T191-D199 PolarHBondContact O-N 2.04Å; T193-D199 HydrophobicContact CG2-CB 3.89Å |
| 200 | C | 96.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 67.1 Ų | 67.1 | 28% | 0.284 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.6 | -172.2 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | W204 C209 | C200-W204 HydrophobicContact CB-CB 4.41Å; C200-W204 WeakPolarHBondContact CB-O 3.27Å; C200-C209 WeakPolarHBondContact CA-SG 3.44Å; C200-C209 HydrophobicContact CB-CB 3.66Å; C200-C209 WeakPolarHBondContact CB-SG 3.5Å; C200-C209 WeakPolarHBondContact SG-CB 3.04Å; C200-C209 CovalentContact SG-SG 2.02Å; C200-C209 PolarHBondContact SG-SG 2.04Å |
| 201 | L | 95.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 72 Ų | 72 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 151.5 | 169.4 | -67.6 | 178.9 | 0 | 0 | 0 | 110.5 | D184 H189 T191 G203 W204 | D184-L201 HydrophobicContact CB-CD1 4.33Å; H189-L201 HydrophobicContact CB-CB 4.34Å; H189-L201 HydrophobicContact CB-CD1 4.15Å; H189-L201 PolarHBondContact O-N 2.72Å; T191-L201 HydrophobicContact CG2-CD2 3.97Å; L201-G203 PolarHBondContact O-N 3.37Å; L201-W204 PolarHBondContact O-N 3.45Å |
| 202 | P | 94.5 | Very high | 92.8 | Very high | 124 Ų | 124 | 70.1 Ų | 70.1 | 81% | 0.805 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 129 | 179.2 | -27 | 34.8 | 0 | 0 | 0 | 111.9 | ||
| 203 | G | 93.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 72.5 Ų | 72.5 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 2.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L201 P212 I213 P228 | L201-G203 PolarHBondContact O-N 3.37Å; G203-P212 CarbonylContact O-C 3.44Å; G203-I213 WeakPolarHBondContact O-CB 3.33Å; G203-I213 WeakPolarHBondContact O-CG1 3.4Å; G203-I213 PolarHBondContact O-N 2.98Å; G203-P228 WeakPolarHBondContact O-CB 3.44Å; G203-P228 VanDerWaalsContact O-CG 3.26Å; G203-P228 WeakPolarHBondContact O-CG 3.27Å |
| 204 | W | 95.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 72.6 Ų | 72.6 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.6 | 176.8 | -62.6 | 91.4 | 0 | 0 | 0 | 112.3 | H189 C200 L201 C209 K211 P212 I213 P228 | H189-W204 HydrophobicContact CB-CB 4.16Å; H189-W204 HydrophobicContact CB-CD2 3.68Å; H189-W204 HydrophobicContact CB-CE3 4.38Å; H189-W204 HydrophobicContact CB-CG 3.53Å; H189-W204 AromaticContact CD2-CD2 3.31Å; H189-W204 AromaticContact CD2-CE2 3.32Å; H189-W204 AromaticContact CD2-CE3 3.28Å; H189-W204 AromaticContact CD2-CH2 3.34Å; H189-W204 WeakPolarHBondContact CD2-CH2 3.43Å; H189-W204 AromaticContact CD2-CZ2 3.36Å; H189-W204 WeakPolarHBondContact CD2-CZ2 3.28Å; H189-W204 AromaticContact CD2-CZ3 3.29Å; H189-W204 WeakPolarHBondContact CD2-CZ3 3.04Å; H189-W204 AromaticContact CE1-CH2 3.9Å; H189-W204 AromaticContact CE1-CZ2 3.59Å; H189-W204 AromaticContact CG-CD2 3.55Å; H189-W204 AromaticContact CG-CE2 3.37Å; H189-W204 AromaticContact CG-CG 3.97Å; H189-W204 AromaticContact CG-CZ2 3.72Å; H189-W204 AromaticContact CG-NE1 3.63Å; H189-W204 AromaticContact ND1-CE2 3.83Å; H189-W204 AromaticContact ND1-CZ2 3.85Å; H189-W204 AromaticContact ND1-NE1 3.99Å; H189-W204 AromaticContact NE2-CE2 3.77Å; H189-W204 AromaticContact NE2-CH2 3.13Å; H189-W204 WeakPolarHBondContact NE2-CH2 3.08Å; H189-W204 AromaticContact NE2-CZ2 3.27Å; H189-W204 VanDerWaalsContact NE2-CZ2 3.27Å; H189-W204 WeakPolarHBondContact NE2-CZ2 3.06Å; H189-W204 AromaticContact NE2-CZ3 3.52Å; C200-W204 HydrophobicContact CB-CB 4.41Å; C200-W204 WeakPolarHBondContact CB-O 3.27Å; L201-W204 PolarHBondContact O-N 3.45Å; W204-C209 HydrophobicContact CB-CB 4.26Å; W204-K211 CarbonylContact C-O 3.58Å; W204-K211 WeakPolarHBondContact CA-O 3.38Å; W204-P212 HydrophobicContact CE3-CB 4.41Å; W204-P212 HydrophobicContact CZ3-CB 4.19Å; W204-I213 WeakPolarHBondContact O-CD1 3.31Å; W204-P228 HydrophobicContact CD2-CG 4.28Å; W204-P228 HydrophobicContact CZ2-CG 3.97Å |
| 205 | K | 94.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 174.6 | -179.9 | 65.3 | 173.5 | 174.6 | -174.6 | 0 | 111.3 | C209 D210 K211 I213 | K205-C209 CarbonylContact O-C 3.54Å; K205-C209 WeakPolarHBondContact O-CA 3.39Å; K205-D210 PolarHBondContact O-N 2.66Å; K205-K211 HydrophobicContact CG-CB 4.06Å; K205-K211 WeakPolarHBondContact CG-O 3.36Å; K205-K211 PolarHBondContact N-O 3.4Å; K205-K211 WeakPolarHBondContact O-CB 3.49Å; K205-K211 PolarHBondContact O-N 3.17Å; K205-I213 HydrophobicContact CB-CD1 4.22Å; K205-I213 HydrophobicContact CB-CG1 3.87Å; K205-I213 HydrophobicContact CD-CG1 3.99Å; K205-I213 HydrophobicContact CG-CG1 3.81Å |
| 206 | G | 92.9 | Very high | 94 | Very high | 37 Ų | 37 | 73.1 Ų | 73.1 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 102.4 | 170.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y208 C209 | G206-Y208 PolarHBondContact O-N 2.88Å; G206-C209 PolarHBondContact O-N 3.21Å |
| 207 | E | 92.3 | Very high | 94.2 | Very high | 152 Ų | 152 | 75.6 Ų | 75.6 | 71% | 0.71 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.3 | -176.9 | -172.7 | 177 | 172.5 | 0 | 0 | 112.6 | ||
| 208 | Y | 93.5 | Very high | 94.5 | Very high | 124 Ų | 124 | 71 Ų | 71 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 14.4 | 178.9 | -58.3 | -69 | 0 | 0 | 0 | 113 | G188 Y190 I198 G206 D210 | G188-Y208 VanDerWaalsContact CA-O 3.3Å; G188-Y208 WeakPolarHBondContact CA-O 3.39Å; Y190-Y208 VanDerWaalsContact CD1-O 3.31Å; Y190-Y208 WeakPolarHBondContact CD1-O 3.45Å; I198-Y208 HydrophobicContact CD1-CD1 4.06Å; G206-Y208 PolarHBondContact O-N 2.88Å; Y208-D210 PolarHBondContact O-N 2.82Å |
| 209 | C | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 51.2 | 40.5 | -177.3 | -47.3 | 0 | 0 | 0 | 0 | 113 | H189 Y190 I198 C200 W204 K205 G206 | H189-C209 PolarHBondContact N-O 3.48Å; H189-C209 VanDerWaalsContact O-CB 3.23Å; H189-C209 WeakPolarHBondContact O-CB 3.34Å; Y190-C209 HydrophobicContact CD1-CB 4.13Å; I198-C209 WeakPolarHBondContact CG2-SG 3.41Å; C200-C209 WeakPolarHBondContact CA-SG 3.44Å; C200-C209 HydrophobicContact CB-CB 3.66Å; C200-C209 WeakPolarHBondContact CB-SG 3.5Å; C200-C209 WeakPolarHBondContact SG-CB 3.04Å; C200-C209 CovalentContact SG-SG 2.02Å; C200-C209 PolarHBondContact SG-SG 2.04Å; W204-C209 HydrophobicContact CB-CB 4.26Å; K205-C209 CarbonylContact O-C 3.54Å; K205-C209 WeakPolarHBondContact O-CA 3.39Å; G206-C209 PolarHBondContact O-N 3.21Å |
| 210 | D | 94.4 | Very high | 94.4 | Very high | 71 Ų | 71 | 75.1 Ų | 75.1 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | trans | -98.6 | -11 | -176.4 | 63.2 | -41 | 0 | 0 | 0 | 112.4 | K205 Y208 | K205-D210 PolarHBondContact O-N 2.66Å; Y208-D210 PolarHBondContact O-N 2.82Å | ||
| 211 | K | 93.8 | Very high | 94.2 | Very high | 119 Ų | 119 | 76.7 Ų | 76.7 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.9 | -178.3 | -62.3 | 177.2 | -174.1 | 176.6 | 0 | 110.2 | W204 K205 | W204-K211 CarbonylContact C-O 3.58Å; W204-K211 WeakPolarHBondContact CA-O 3.38Å; K205-K211 HydrophobicContact CG-CB 4.06Å; K205-K211 WeakPolarHBondContact CG-O 3.36Å; K205-K211 PolarHBondContact N-O 3.4Å; K205-K211 WeakPolarHBondContact O-CB 3.49Å; K205-K211 PolarHBondContact O-N 3.17Å |
| 212 | P | 95.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 75.3 Ų | 75.3 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 149.1 | 173.6 | 29.2 | -35 | 0 | 0 | 0 | 110.7 | G203 W204 C225 P228 | G203-P212 CarbonylContact O-C 3.44Å; W204-P212 HydrophobicContact CE3-CB 4.41Å; W204-P212 HydrophobicContact CZ3-CB 4.19Å; P212-C225 WeakPolarHBondContact CG-O 3.35Å; P212-P228 HydrophobicContact CB-CG 4.14Å |
| 213 | I | 94.5 | Very high | 94.1 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -88 | 114.3 | 167.9 | -59.4 | 174.9 | 0 | 0 | 0 | 106.5 | G203 W204 K205 P228 G229 | G203-I213 WeakPolarHBondContact O-CB 3.33Å; G203-I213 WeakPolarHBondContact O-CG1 3.4Å; G203-I213 PolarHBondContact O-N 2.98Å; W204-I213 WeakPolarHBondContact O-CD1 3.31Å; K205-I213 HydrophobicContact CB-CD1 4.22Å; K205-I213 HydrophobicContact CB-CG1 3.87Å; K205-I213 HydrophobicContact CD-CG1 3.99Å; K205-I213 HydrophobicContact CG-CG1 3.81Å; I213-P228 WeakPolarHBondContact O-CA 3.32Å; I213-G229 PolarHBondContact O-N 2.87Å | ||
| 214 | C | 95.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 167.6 | 178.8 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | E216 C218 C225 E230 | C214-E216 PolarHBondContact O-N 3.42Å; C214-C218 HydrophobicContact CB-CB 4.06Å; C214-C225 WeakPolarHBondContact CA-SG 3.45Å; C214-C225 HydrophobicContact CB-CB 3.65Å; C214-C225 WeakPolarHBondContact CB-SG 3.33Å; C214-C225 PolarHBondContact N-SG 2.87Å; C214-C225 WeakPolarHBondContact SG-CB 3.03Å; C214-C225 CovalentContact SG-SG 2.04Å; C214-C225 PolarHBondContact SG-SG 3.39Å; C214-E230 WeakPolarHBondContact CA-O 3.4Å |
| 215 | L | 94.9 | Very high | 94 | Very high | 54 Ų | 54 | 69.9 Ų | 69.9 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 137 | 173 | -172.3 | 65 | 0 | 0 | 0 | 110.9 | G217 C218 G229 E230 C231 L240 F241 | L215-G217 PolarHBondContact O-N 2.78Å; L215-C218 HydrophobicContact CB-CB 4.44Å; L215-C218 WeakPolarHBondContact O-CB 3.18Å; L215-C218 PolarHBondContact O-N 3.47Å; L215-G229 WeakPolarHBondContact CB-O 3.14Å; L215-E230 PolarHBondContact N-O 2.97Å; L215-C231 HydrophobicContact CB-CB 4.04Å; L215-C231 HydrophobicContact CD2-CB 4.47Å; L215-L240 HydrophobicContact CD2-CD1 4.07Å; L215-L240 HydrophobicContact CD2-CG 3.96Å; L215-F241 HydrophobicContact CD2-CD1 4.18Å; L215-F241 HydrophobicContact CD2-CE1 3.89Å; L215-F241 HydrophobicContact CG-CE1 4.31Å |
| 216 | E | 94 | Very high | 93.8 | Very high | 181 Ų | 181 | 71.9 Ų | 71.9 | 85% | 0.846 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 127 | 177.6 | -169.6 | 176 | -178.7 | 0 | 0 | 110.3 | C214 F241 | C214-E216 PolarHBondContact O-N 3.42Å; E216-F241 WeakPolarHBondContact O-CE1 3.08Å |
| 217 | G | 92.9 | Very high | 93.7 | Very high | 60 Ų | 60 | 75 Ų | 75 | 62% | 0.619 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -5.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L215 N219 F241 | L215-G217 PolarHBondContact O-N 2.78Å; G217-N219 PolarHBondContact O-N 2.89Å; G217-F241 WeakPolarHBondContact O-CB 3.45Å |
| 218 | C | 95.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | trans | -57.6 | 127.7 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | C214 L215 E220 C231 | C214-C218 HydrophobicContact CB-CB 4.06Å; L215-C218 HydrophobicContact CB-CB 4.44Å; L215-C218 WeakPolarHBondContact O-CB 3.18Å; L215-C218 PolarHBondContact O-N 3.47Å; C218-E220 PolarHBondContact O-N 3.18Å; C218-C231 VanDerWaalsContact CA-SG 3.6Å; C218-C231 HydrophobicContact CB-CB 3.74Å; C218-C231 WeakPolarHBondContact CB-SG 3.29Å; C218-C231 WeakPolarHBondContact SG-CB 3.37Å; C218-C231 CovalentContact SG-SG 2.04Å; C218-C231 PolarHBondContact SG-SG 2.03Å | ||
| 219 | N | 94.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | trans | -64.1 | 125.8 | -176.9 | -176.4 | -57 | 0 | 0 | 0 | 111.2 | G217 S221 N222 G223 F241 | G217-N219 PolarHBondContact O-N 2.89Å; N219-S221 PolarHBondContact O-N 3.28Å; N219-S221 PolarHBondContact OD1-N 2.82Å; N219-S221 PolarHBondContact OD1-OG 2.87Å; N219-N222 HydrophobicContact CB-CB 4.16Å; N219-N222 PolarHBondContact O-N 3.23Å; N219-N222 PolarHBondContact OD1-N 2.99Å; N219-G223 VanDerWaalsContact O-CA 3.27Å; N219-G223 WeakPolarHBondContact O-CA 3.25Å; N219-G223 PolarHBondContact O-N 2.04Å; N219-F241 VanDerWaalsContact CB-O 3.25Å; N219-F241 WeakPolarHBondContact CB-O 3.27Å; N219-F241 PolarHBondContact N-O 2.75Å | ||
| 220 | E | 91.6 | Very high | 93.6 | Very high | 188 Ų | 188 | 69.5 Ų | 69.5 | 88% | 0.879 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -30.1 | -173.8 | -62.1 | -170.6 | 162.5 | 0 | 0 | 114.2 | C218 | C218-E220 PolarHBondContact O-N 3.18Š|
| 221 | S | 92.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -35.9 | 178 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | N219 R234 | N219-S221 PolarHBondContact O-N 3.28Å; N219-S221 PolarHBondContact OD1-N 2.82Å; N219-S221 PolarHBondContact OD1-OG 2.87Å; S221-R234 VanDerWaalsContact O-CD 3.23Å; S221-R234 WeakPolarHBondContact O-CD 3.14Å; S221-R234 PolarHBondContact O-NE 2.83Å |
| 222 | N | 94.3 | Very high | 93.8 | Very high | 19 Ų | 19 | 64.3 Ų | 64.3 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -17.9 | -165.4 | -57.5 | -15.7 | 0 | 0 | 0 | 113.6 | N219 R234 W237 C242 | N219-N222 HydrophobicContact CB-CB 4.16Å; N219-N222 PolarHBondContact O-N 3.23Å; N219-N222 PolarHBondContact OD1-N 2.99Å; N222-R234 WeakPolarHBondContact O-CB 3.5Å; N222-R234 VanDerWaalsContact O-CG 3.26Å; N222-R234 WeakPolarHBondContact O-CG 3.49Å; N222-R234 PolarHBondContact O-N 3.48Å; N222-W237 HydrophobicContact CB-CB 4.35Å; N222-W237 HydrophobicContact CB-CD2 3.81Å; N222-W237 HydrophobicContact CB-CE3 4.35Å; N222-W237 HydrophobicContact CB-CG 3.77Å; N222-W237 VanDerWaalsContact ND2-CE3 3.3Å; N222-W237 VanDerWaalsContact ND2-CH2 3.25Å; N222-W237 WeakPolarHBondContact ND2-CH2 3.3Å; N222-W237 WeakPolarHBondContact ND2-CZ2 3.15Å; N222-W237 VanDerWaalsContact ND2-CZ3 3.31Å; N222-W237 WeakPolarHBondContact ND2-CZ3 3.37Å; N222-C242 HydrophobicContact CB-CB 4.38Å; N222-C242 WeakPolarHBondContact CB-O 3.5Å |
| 223 | G | 94.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 151.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N219 I232 | N219-G223 VanDerWaalsContact O-CA 3.27Å; N219-G223 WeakPolarHBondContact O-CA 3.25Å; N219-G223 PolarHBondContact O-N 2.04Å; G223-I232 CarbonylContact C-O 3.4Å; G223-I232 WeakPolarHBondContact CA-O 3.38Å |
| 224 | T | 94.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 68 Ų | 68 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 164.6 | 169.2 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | I232 | T224-I232 PolarHBondContact N-O 2.85Å; T224-I232 WeakPolarHBondContact O-CA 3.01Å; T224-I232 WeakPolarHBondContact O-CB 3.09Å; T224-I232 PolarHBondContact O-N 2.88Å |
| 225 | C | 93.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 74.1 Ų | 74.1 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | trans | -138.8 | 144.4 | 176.2 | 57 | 0 | 0 | 0 | 0 | 110.3 | P212 C214 E230 | P212-C225 WeakPolarHBondContact CG-O 3.35Å; C214-C225 WeakPolarHBondContact CA-SG 3.45Å; C214-C225 HydrophobicContact CB-CB 3.65Å; C214-C225 WeakPolarHBondContact CB-SG 3.33Å; C214-C225 PolarHBondContact N-SG 2.87Å; C214-C225 WeakPolarHBondContact SG-CB 3.03Å; C214-C225 CovalentContact SG-SG 2.04Å; C214-C225 PolarHBondContact SG-SG 3.39Å; C225-E230 HydrophobicContact CB-CB 4.33Å; C225-E230 VanDerWaalsContact CB-O 3.28Å; C225-E230 WeakPolarHBondContact CB-O 3.37Å | ||
| 226 | Q | 90.4 | Very high | 93.8 | Very high | 153 Ų | 153 | 71.6 Ų | 71.6 | 72% | 0.715 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -105.8 | -29.9 | 173.5 | -65.3 | -174.6 | 11.8 | 0 | 0 | 111.5 | E230 I232 | Q226-E230 PolarHBondContact N-OE2 3.05Å; Q226-I232 HydrophobicContact CG-CD1 4.15Å |
| 227 | I | 90.7 | Very high | 93.9 | Very high | 103 Ų | 103 | 64.6 Ų | 64.6 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -118.1 | 152.6 | 172.3 | 57.2 | 173.5 | 0 | 0 | 0 | 110.3 | G229 E230 | I227-G229 PolarHBondContact O-N 3.31Å; I227-E230 HydrophobicContact CG1-CB 3.81Å; I227-E230 HydrophobicContact CG1-CG 4.41Å; I227-E230 WeakPolarHBondContact CG1-OE2 3.12Å; I227-E230 WeakPolarHBondContact O-CB 3.26Å; I227-E230 PolarHBondContact O-N 2.78Å |
| 228 | P | 94.1 | Very high | 94 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 138.6 | 178.1 | -25.3 | 35 | 0 | 0 | 0 | 112.8 | G203 W204 P212 I213 E230 | G203-P228 WeakPolarHBondContact O-CB 3.44Å; G203-P228 VanDerWaalsContact O-CG 3.26Å; G203-P228 WeakPolarHBondContact O-CG 3.27Å; W204-P228 HydrophobicContact CD2-CG 4.28Å; W204-P228 HydrophobicContact CZ2-CG 3.97Å; P212-P228 HydrophobicContact CB-CG 4.14Å; I213-P228 WeakPolarHBondContact O-CA 3.32Å; P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 PolarHBondContact O-N 2.76Å |
| 229 | G | 91.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I213 L215 I227 | I213-G229 PolarHBondContact O-N 2.87Å; L215-G229 WeakPolarHBondContact CB-O 3.14Å; I227-G229 PolarHBondContact O-N 3.31Å |
| 230 | E | 94.2 | Very high | 93.8 | Very high | 66 Ų | 66 | 70.3 Ų | 70.3 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | trans | -90.8 | 156.6 | 171.8 | -171.8 | -174.9 | -151.3 | 0 | 0 | 111.1 | C214 L215 C225 Q226 I227 P228 I232 | C214-E230 WeakPolarHBondContact CA-O 3.4Å; L215-E230 PolarHBondContact N-O 2.97Å; C225-E230 HydrophobicContact CB-CB 4.33Å; C225-E230 VanDerWaalsContact CB-O 3.28Å; C225-E230 WeakPolarHBondContact CB-O 3.37Å; Q226-E230 PolarHBondContact N-OE2 3.05Å; I227-E230 HydrophobicContact CG1-CB 3.81Å; I227-E230 HydrophobicContact CG1-CG 4.41Å; I227-E230 WeakPolarHBondContact CG1-OE2 3.12Å; I227-E230 WeakPolarHBondContact O-CB 3.26Å; I227-E230 PolarHBondContact O-N 2.78Å; P228-E230 VanDerWaalsContact C-N 3.28Å; P228-E230 PolarHBondContact O-N 2.76Å; E230-I232 HydrophobicContact CG-CD1 4.46Å; E230-I232 HydrophobicContact CG-CG1 3.83Å; E230-I232 WeakPolarHBondContact OE1-CD1 3.17Å; E230-I232 WeakPolarHBondContact OE1-CG1 3.1Å; E230-I232 WeakPolarHBondContact OE2-CD1 3.26Å | ||
| 231 | C | 96 | Very high | 94 | Very high | 24 Ų | 24 | 64.7 Ų | 64.7 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | trans | -138.5 | 103.7 | 165.8 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | L215 C218 C242 | L215-C231 HydrophobicContact CB-CB 4.04Å; L215-C231 HydrophobicContact CD2-CB 4.47Å; C218-C231 VanDerWaalsContact CA-SG 3.6Å; C218-C231 HydrophobicContact CB-CB 3.74Å; C218-C231 WeakPolarHBondContact CB-SG 3.29Å; C218-C231 WeakPolarHBondContact SG-CB 3.37Å; C218-C231 CovalentContact SG-SG 2.04Å; C218-C231 PolarHBondContact SG-SG 2.03Å; C231-C242 PolarHBondContact SG-SG 3.33Å | ||
| 232 | I | 95.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 30% | 0.297 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.6 | 177.3 | -55.2 | 171.2 | 0 | 0 | 0 | 108.3 | G223 T224 Q226 E230 | G223-I232 CarbonylContact C-O 3.4Å; G223-I232 WeakPolarHBondContact CA-O 3.38Å; T224-I232 PolarHBondContact N-O 2.85Å; T224-I232 WeakPolarHBondContact O-CA 3.01Å; T224-I232 WeakPolarHBondContact O-CB 3.09Å; T224-I232 PolarHBondContact O-N 2.88Å; Q226-I232 HydrophobicContact CG-CD1 4.15Å; E230-I232 HydrophobicContact CG-CD1 4.46Å; E230-I232 HydrophobicContact CG-CG1 3.83Å; E230-I232 WeakPolarHBondContact OE1-CD1 3.17Å; E230-I232 WeakPolarHBondContact OE1-CG1 3.1Å; E230-I232 WeakPolarHBondContact OE2-CD1 3.26Å |
| 233 | C | 96.3 | Very high | 94.2 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 137.4 | -179.7 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | W237 G239 C242 | C233-W237 HydrophobicContact CB-CB 4.18Å; C233-W237 WeakPolarHBondContact CB-O 3.15Å; C233-G239 PolarHBondContact SG-O 3.27Å; C233-C242 WeakPolarHBondContact CA-SG 3.38Å; C233-C242 HydrophobicContact CB-CB 3.66Å; C233-C242 WeakPolarHBondContact CB-SG 3.5Å; C233-C242 PolarHBondContact N-SG 3.47Å; C233-C242 WeakPolarHBondContact SG-CA 3.02Å; C233-C242 WeakPolarHBondContact SG-CB 3.4Å; C233-C242 CovalentContact SG-SG 2.04Å; C233-C242 PolarHBondContact SG-SG 2.95Å |
| 234 | R | 94.9 | Very high | 94.3 | Very high | 133 Ų | 133 | 67.5 Ų | 67.5 | 50% | 0.502 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 161.6 | 167.6 | -68.2 | 178.9 | -169 | -110.5 | 4.4 | 110.4 | S221 N222 G236 W237 | S221-R234 VanDerWaalsContact O-CD 3.23Å; S221-R234 WeakPolarHBondContact O-CD 3.14Å; S221-R234 PolarHBondContact O-NE 2.83Å; N222-R234 WeakPolarHBondContact O-CB 3.5Å; N222-R234 VanDerWaalsContact O-CG 3.26Å; N222-R234 WeakPolarHBondContact O-CG 3.49Å; N222-R234 PolarHBondContact O-N 3.48Å; R234-G236 PolarHBondContact O-N 2.78Å; R234-W237 PolarHBondContact O-N 3.46Å |
| 235 | E | 94.6 | Very high | 94.4 | Very high | 166 Ų | 166 | 65.4 Ų | 65.4 | 78% | 0.776 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.5 | 175.8 | -170.7 | 173 | -178.5 | 0 | 0 | 110.7 | Y260 | E235-Y260 WeakPolarHBondContact CG-OH 3.46Š|
| 236 | G | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -7.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R234 K246 P259 Y260 | R234-G236 PolarHBondContact O-N 2.78Å; G236-K246 WeakPolarHBondContact O-CB 3.14Å; G236-K246 PolarHBondContact O-N 2.99Å; G236-P259 WeakPolarHBondContact O-CB 3.31Å; G236-Y260 PolarHBondContact N-OH 3.06Å |
| 237 | W | 96.4 | Very high | 94.7 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 156.1 | 178.6 | -62.8 | 89 | 0 | 0 | 0 | 112.3 | N222 C233 R234 V244 C245 K246 P259 | N222-W237 HydrophobicContact CB-CB 4.35Å; N222-W237 HydrophobicContact CB-CD2 3.81Å; N222-W237 HydrophobicContact CB-CE3 4.35Å; N222-W237 HydrophobicContact CB-CG 3.77Å; N222-W237 VanDerWaalsContact ND2-CE3 3.3Å; N222-W237 VanDerWaalsContact ND2-CH2 3.25Å; N222-W237 WeakPolarHBondContact ND2-CH2 3.3Å; N222-W237 WeakPolarHBondContact ND2-CZ2 3.15Å; N222-W237 VanDerWaalsContact ND2-CZ3 3.31Å; N222-W237 WeakPolarHBondContact ND2-CZ3 3.37Å; C233-W237 HydrophobicContact CB-CB 4.18Å; C233-W237 WeakPolarHBondContact CB-O 3.15Å; R234-W237 PolarHBondContact O-N 3.46Å; W237-V244 CarbonylContact C-O 3.58Å; W237-V244 WeakPolarHBondContact CA-O 3.34Å; W237-C245 HydrophobicContact CE3-CB 4.49Å; W237-C245 HydrophobicContact CZ3-CB 4.28Å; W237-K246 WeakPolarHBondContact O-CE 3.25Å; W237-K246 PolarHBondContact O-NZ 3.37Å; W237-P259 HydrophobicContact CD2-CG 4.44Å; W237-P259 HydrophobicContact CZ2-CG 4.02Å |
| 238 | Q | 94.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 38% | 0.379 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -177.7 | -178.6 | 61.4 | 179.6 | -13.5 | 0 | 0 | 111 | C242 V244 C245 K246 | Q238-C242 WeakPolarHBondContact O-CA 3.23Å; Q238-V244 HydrophobicContact CG-CB 4Å; Q238-V244 HydrophobicContact CG-CG1 3.96Å; Q238-V244 VanDerWaalsContact CG-O 3.3Å; Q238-V244 WeakPolarHBondContact CG-O 3.31Å; Q238-V244 PolarHBondContact N-O 3.31Å; Q238-V244 WeakPolarHBondContact O-CB 3.4Å; Q238-V244 PolarHBondContact O-N 2.85Å; Q238-C245 PolarHBondContact NE2-O 3.16Å; Q238-K246 HydrophobicContact CB-CD 4.5Å; Q238-K246 HydrophobicContact CB-CG 3.88Å; Q238-K246 HydrophobicContact CG-CG 3.8Å |
| 239 | G | 93.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 92.4 | 170.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C233 F241 | C233-G239 PolarHBondContact SG-O 3.27Å; G239-F241 PolarHBondContact O-N 3.31Å |
| 240 | L | 93.4 | Very high | 95 | Very high | 119 Ų | 119 | 65.9 Ų | 65.9 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -66.6 | -29.2 | -179.3 | -175.7 | 63.5 | 0 | 0 | 0 | 112.2 | L215 | L215-L240 HydrophobicContact CD2-CD1 4.07Å; L215-L240 HydrophobicContact CD2-CG 3.96Å |
| 241 | F | 95.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -111.5 | 4.7 | -176.1 | -55.5 | -63.1 | 0 | 0 | 0 | 113.5 | L215 E216 G217 N219 G239 D243 | L215-F241 HydrophobicContact CD2-CD1 4.18Å; L215-F241 HydrophobicContact CD2-CE1 3.89Å; L215-F241 HydrophobicContact CG-CE1 4.31Å; E216-F241 WeakPolarHBondContact O-CE1 3.08Å; G217-F241 WeakPolarHBondContact O-CB 3.45Å; N219-F241 VanDerWaalsContact CB-O 3.25Å; N219-F241 WeakPolarHBondContact CB-O 3.27Å; N219-F241 PolarHBondContact N-O 2.75Å; G239-F241 PolarHBondContact O-N 3.31Å; F241-D243 PolarHBondContact O-N 3.03Å |
| 242 | C | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 58.5 | 31.7 | -178.5 | -50.4 | 0 | 0 | 0 | 0 | 114.2 | N222 C231 C233 Q238 | N222-C242 HydrophobicContact CB-CB 4.38Å; N222-C242 WeakPolarHBondContact CB-O 3.5Å; C231-C242 PolarHBondContact SG-SG 3.33Å; C233-C242 WeakPolarHBondContact CA-SG 3.38Å; C233-C242 HydrophobicContact CB-CB 3.66Å; C233-C242 WeakPolarHBondContact CB-SG 3.5Å; C233-C242 PolarHBondContact N-SG 3.47Å; C233-C242 WeakPolarHBondContact SG-CA 3.02Å; C233-C242 WeakPolarHBondContact SG-CB 3.4Å; C233-C242 CovalentContact SG-SG 2.04Å; C233-C242 PolarHBondContact SG-SG 2.95Å; Q238-C242 WeakPolarHBondContact O-CA 3.23Å |
| 243 | D | 94.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 70.3 Ų | 70.3 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | trans | -102.2 | -7.7 | -179.7 | 60.4 | -26.5 | 0 | 0 | 0 | 112.8 | F241 | F241-D243 PolarHBondContact O-N 3.03Š| ||
| 244 | V | 95.2 | Very high | 94.8 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | W237 Q238 | W237-V244 CarbonylContact C-O 3.58Å; W237-V244 WeakPolarHBondContact CA-O 3.34Å; Q238-V244 HydrophobicContact CG-CB 4Å; Q238-V244 HydrophobicContact CG-CG1 3.96Å; Q238-V244 VanDerWaalsContact CG-O 3.3Å; Q238-V244 WeakPolarHBondContact CG-O 3.31Å; Q238-V244 PolarHBondContact N-O 3.31Å; Q238-V244 WeakPolarHBondContact O-CB 3.4Å; Q238-V244 PolarHBondContact O-N 2.85Å |
| 245 | C | 96.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 148.4 | 172.8 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | W237 Q238 C256 | W237-C245 HydrophobicContact CE3-CB 4.49Å; W237-C245 HydrophobicContact CZ3-CB 4.28Å; Q238-C245 PolarHBondContact NE2-O 3.16Å; C245-C256 VanDerWaalsContact C-SG 3.52Å; C245-C256 HydrophobicContact CB-CB 3.98Å; C245-C256 WeakPolarHBondContact CB-SG 3.49Å; C245-C256 PolarHBondContact O-SG 3.35Å; C245-C256 VanDerWaalsContact O-SG 3.33Å; C245-C256 VanDerWaalsContact SG-CA 3.59Å; C245-C256 WeakPolarHBondContact SG-CB 3.38Å; C245-C256 PolarHBondContact SG-O 3.47Å; C245-C256 CovalentContact SG-SG 2.03Å; C245-C256 PolarHBondContact SG-SG 3.07Å |
| 246 | K | 96 | Very high | 94.9 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 37% | 0.365 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 126.6 | 167.6 | -73.2 | 178.7 | 171.5 | 167.6 | 0 | 108.8 | G236 W237 Q238 Y260 | G236-K246 WeakPolarHBondContact O-CB 3.14Å; G236-K246 PolarHBondContact O-N 2.99Å; W237-K246 WeakPolarHBondContact O-CE 3.25Å; W237-K246 PolarHBondContact O-NZ 3.37Å; Q238-K246 HydrophobicContact CB-CD 4.5Å; Q238-K246 HydrophobicContact CB-CG 3.88Å; Q238-K246 HydrophobicContact CG-CG 3.8Å; K246-Y260 WeakPolarHBondContact O-CA 3.09Å; K246-Y260 PolarHBondContact O-N 3.27Å |
| 247 | L | 94.4 | Very high | 94.8 | Very high | 67 Ų | 67 | 66.9 Ų | 66.9 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 156.8 | 171.8 | -71 | 161.6 | 0 | 0 | 0 | 110.9 | C251 C256 | L247-C251 HydrophobicContact CB-CB 4.15Å; L247-C256 HydrophobicContact CD2-CB 3.83Å |
| 248 | H | 94.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 136.9 | 167.6 | -169.5 | -93.6 | 0 | 0 | 0 | 110 | S250 C251 Y260 Q261 C262 F272 | H248-S250 PolarHBondContact ND1-N 2.8Å; H248-S250 PolarHBondContact O-N 2.96Å; H248-C251 HydrophobicContact CB-CB 4.23Å; H248-C251 WeakPolarHBondContact O-CB 3.23Å; H248-C251 PolarHBondContact O-N 2.81Å; H248-Y260 WeakPolarHBondContact CB-O 3.06Å; H248-Q261 PolarHBondContact N-O 3.32Å; H248-C262 HydrophobicContact CB-CB 4.28Å; H248-F272 AromaticContact CE1-CE1 3.38Å; H248-F272 WeakPolarHBondContact CE1-CE1 3.34Å; H248-F272 AromaticContact ND1-CD1 3.68Å; H248-F272 AromaticContact ND1-CE1 3.43Å; H248-F272 WeakPolarHBondContact ND1-CE1 3.48Å |
| 249 | P | 94.4 | Very high | 94.7 | Very high | 111 Ų | 111 | 68.3 Ų | 68.3 | 72% | 0.721 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.8 | -175.5 | -28.3 | 35.2 | 0 | 0 | 0 | 114.9 | ||
| 250 | S | 94.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 71 Ų | 71 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.3 | 178.2 | -49.7 | 0 | 0 | 0 | 0 | 114.1 | H248 K252 | H248-S250 PolarHBondContact ND1-N 2.8Å; H248-S250 PolarHBondContact O-N 2.96Å; S250-K252 PolarHBondContact O-N 3.34Å |
| 251 | C | 95.7 | Very high | 94.7 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 14% | 0.142 | 35% | 0.354 | C | S | . | . | trans | -65.4 | 123.7 | -176 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | L247 H248 C262 F272 | L247-C251 HydrophobicContact CB-CB 4.15Å; H248-C251 HydrophobicContact CB-CB 4.23Å; H248-C251 WeakPolarHBondContact O-CB 3.23Å; H248-C251 PolarHBondContact O-N 2.81Å; C251-C262 WeakPolarHBondContact CA-SG 3.47Å; C251-C262 HydrophobicContact CB-CB 3.69Å; C251-C262 WeakPolarHBondContact CB-SG 3.38Å; C251-C262 WeakPolarHBondContact SG-CB 3.47Å; C251-C262 CovalentContact SG-SG 2.03Å; C251-C262 PolarHBondContact SG-SG 2.9Å; C251-F272 WeakPolarHBondContact CA-O 3.31Å | ||
| 252 | K | 93.8 | Very high | 94.8 | Very high | 146 Ų | 146 | 66.7 Ų | 66.7 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -96.1 | -62.1 | 179 | -63.2 | -63.7 | -174.6 | 178 | 0 | 111.9 | S250 F272 D274 | S250-K252 PolarHBondContact O-N 3.34Å; K252-F272 PolarHBondContact N-O 2.87Å; K252-D274 HydrophobicContact CB-CB 4.36Å; K252-D274 HydrophobicContact CG-CB 3.91Å |
| 253 | H | 93.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 34% | 0.338 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -121.8 | 53.6 | -172.9 | -58.2 | -80.3 | 0 | 0 | 0 | 112.4 | K265 W268 C273 | H253-K265 WeakPolarHBondContact O-CB 3.47Å; H253-K265 WeakPolarHBondContact O-CG 2.97Å; H253-K265 PolarHBondContact O-N 3.13Å; H253-W268 HydrophobicContact CB-CB 4.03Å; H253-W268 HydrophobicContact CB-CD2 3.47Å; H253-W268 VanDerWaalsContact CB-CD2 3.47Å; H253-W268 HydrophobicContact CB-CE3 4.08Å; H253-W268 HydrophobicContact CB-CG 3.4Å; H253-W268 VanDerWaalsContact CB-CG 3.4Å; H253-W268 AromaticContact CD2-CD2 3.5Å; H253-W268 AromaticContact CD2-CE2 3.55Å; H253-W268 AromaticContact CD2-CE3 3.36Å; H253-W268 AromaticContact CD2-CH2 3.39Å; H253-W268 WeakPolarHBondContact CD2-CH2 3.1Å; H253-W268 AromaticContact CD2-CZ2 3.52Å; H253-W268 AromaticContact CD2-CZ3 3.31Å; H253-W268 WeakPolarHBondContact CD2-CZ3 3.46Å; H253-W268 AromaticContact CE1-CH2 3.99Å; H253-W268 AromaticContact CE1-CZ2 3.72Å; H253-W268 AromaticContact CG-CD2 3.49Å; H253-W268 VanDerWaalsContact CG-CD2 3.49Å; H253-W268 AromaticContact CG-CE2 3.4Å; H253-W268 AromaticContact CG-CE3 3.87Å; H253-W268 AromaticContact CG-CG 3.99Å; H253-W268 AromaticContact CG-CZ2 3.72Å; H253-W268 AromaticContact CG-NE1 3.82Å; H253-W268 AromaticContact ND1-CE2 3.8Å; H253-W268 AromaticContact ND1-CZ2 3.83Å; H253-W268 AromaticContact NE2-CH2 3.38Å; H253-W268 WeakPolarHBondContact NE2-CH2 3.44Å; H253-W268 AromaticContact NE2-CZ2 3.57Å; H253-W268 AromaticContact NE2-CZ3 3.74Å; H253-C273 HydrophobicContact CB-CB 4.38Å; H253-C273 WeakPolarHBondContact CB-O 3.34Å; H253-C273 PolarHBondContact CD2-O 2.87Å; H253-C273 PolarHBondContact N-O 3.35Å; H253-C273 VanDerWaalsContact N-O 3.13Å |
| 254 | G | 94.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 68.3 Ų | 68.3 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 178 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T263 | G254-T263 CarbonylContact C-O 3.55Å; G254-T263 WeakPolarHBondContact CA-O 3.38Å |
| 255 | T | 95.2 | Very high | 94.5 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 167.4 | 172.2 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | T263 K265 | T255-T263 PolarHBondContact N-O 2.9Å; T255-T263 PolarHBondContact O-N 3.4Å; T255-K265 HydrophobicContact CG2-CG 4.4Å |
| 256 | C | 95.7 | Very high | 94.1 | Very high | 24 Ų | 24 | 79.3 Ų | 79.3 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | trans | -134.3 | 153 | 174.5 | 55.5 | 0 | 0 | 0 | 0 | 110 | C245 L247 E258 Q261 | C245-C256 VanDerWaalsContact C-SG 3.52Å; C245-C256 HydrophobicContact CB-CB 3.98Å; C245-C256 WeakPolarHBondContact CB-SG 3.49Å; C245-C256 PolarHBondContact O-SG 3.35Å; C245-C256 VanDerWaalsContact O-SG 3.33Å; C245-C256 VanDerWaalsContact SG-CA 3.59Å; C245-C256 WeakPolarHBondContact SG-CB 3.38Å; C245-C256 PolarHBondContact SG-O 3.47Å; C245-C256 CovalentContact SG-SG 2.03Å; C245-C256 PolarHBondContact SG-SG 3.07Å; L247-C256 HydrophobicContact CD2-CB 3.83Å; C256-E258 WeakPolarHBondContact CB-O 3.47Å; C256-Q261 HydrophobicContact CB-CB 3.94Å | ||
| 257 | E | 93.3 | Very high | 93.5 | Very high | 162 Ų | 162 | 76 Ų | 76 | 76% | 0.757 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -112.5 | -42 | 163.7 | -66.7 | -177.7 | 173.2 | 0 | 0 | 109.1 | ||
| 258 | E | 92.8 | Very high | 93.2 | Very high | 112 Ų | 112 | 76.1 Ų | 76.1 | 52% | 0.523 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -103.7 | 156.4 | 170.6 | -64.6 | -64.9 | 150.4 | 0 | 0 | 111.9 | C256 Y260 Q261 | C256-E258 WeakPolarHBondContact CB-O 3.47Å; E258-Y260 PolarHBondContact O-N 3.1Å; E258-Q261 HydrophobicContact CB-CG 4.16Å; E258-Q261 WeakPolarHBondContact O-CB 3.46Å; E258-Q261 WeakPolarHBondContact O-CG 3.47Å; E258-Q261 PolarHBondContact O-N 2.76Å |
| 259 | P | 95.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 73.6 Ų | 73.6 | 22% | 0.221 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 139.1 | 177.2 | -29.7 | 37.2 | 0 | 0 | 0 | 114.2 | G236 W237 Q261 | G236-P259 WeakPolarHBondContact O-CB 3.31Å; W237-P259 HydrophobicContact CD2-CG 4.44Å; W237-P259 HydrophobicContact CZ2-CG 4.02Å; P259-Q261 PolarHBondContact O-N 3.21Å |
| 260 | Y | 93.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 69.9 Ų | 69.9 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 15.6 | 176.1 | -48.1 | -63.2 | 0 | 0 | 0 | 115.5 | E235 G236 K246 H248 E258 | E235-Y260 WeakPolarHBondContact CG-OH 3.46Å; G236-Y260 PolarHBondContact N-OH 3.06Å; K246-Y260 WeakPolarHBondContact O-CA 3.09Å; K246-Y260 PolarHBondContact O-N 3.27Å; H248-Y260 WeakPolarHBondContact CB-O 3.06Å; E258-Y260 PolarHBondContact O-N 3.1Å |
| 261 | Q | 94.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | trans | -75.1 | 160.8 | 166.4 | -69.2 | -179.3 | -24.1 | 0 | 0 | 111.6 | H248 C256 E258 P259 | H248-Q261 PolarHBondContact N-O 3.32Å; C256-Q261 HydrophobicContact CB-CB 3.94Å; E258-Q261 HydrophobicContact CB-CG 4.16Å; E258-Q261 WeakPolarHBondContact O-CB 3.46Å; E258-Q261 WeakPolarHBondContact O-CG 3.47Å; E258-Q261 PolarHBondContact O-N 2.76Å; P259-Q261 PolarHBondContact O-N 3.21Å | ||
| 262 | C | 96.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 75.5 Ų | 75.5 | 17% | 0.169 | 38% | 0.384 | C | S | . | . | trans | -145.6 | 79.5 | 172.2 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | H248 C251 C273 | H248-C262 HydrophobicContact CB-CB 4.28Å; C251-C262 WeakPolarHBondContact CA-SG 3.47Å; C251-C262 HydrophobicContact CB-CB 3.69Å; C251-C262 WeakPolarHBondContact CB-SG 3.38Å; C251-C262 WeakPolarHBondContact SG-CB 3.47Å; C251-C262 CovalentContact SG-SG 2.03Å; C251-C262 PolarHBondContact SG-SG 2.9Å; C262-C273 PolarHBondContact O-SG 3.06Å; C262-C273 PolarHBondContact SG-SG 3.19Å | ||
| 263 | T | 94.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 68.6 Ų | 68.6 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 116.6 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 108.5 | G254 T255 | G254-T263 CarbonylContact C-O 3.55Å; G254-T263 WeakPolarHBondContact CA-O 3.38Å; T255-T263 PolarHBondContact N-O 2.9Å; T255-T263 PolarHBondContact O-N 3.4Å |
| 264 | C | 94.4 | Very high | 92 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139 | -171.4 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | W268 G270 C273 | C264-W268 HydrophobicContact CB-CB 4.26Å; C264-W268 WeakPolarHBondContact CB-O 3.07Å; C264-G270 PolarHBondContact SG-O 2.78Å; C264-C273 WeakPolarHBondContact CA-SG 3.37Å; C264-C273 HydrophobicContact CB-CB 3.73Å; C264-C273 WeakPolarHBondContact CB-SG 3.04Å; C264-C273 PolarHBondContact N-SG 3.37Å; C264-C273 WeakPolarHBondContact SG-CA 3.21Å; C264-C273 WeakPolarHBondContact SG-CB 3.01Å; C264-C273 CovalentContact SG-SG 2.04Å; C264-C273 PolarHBondContact SG-SG 3.26Å |
| 265 | K | 91.3 | Very high | 91.7 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 157.6 | 169.3 | -66.4 | 177.7 | -178.1 | 179.5 | 0 | 109.5 | H253 T255 G267 W268 | H253-K265 WeakPolarHBondContact O-CB 3.47Å; H253-K265 WeakPolarHBondContact O-CG 2.97Å; H253-K265 PolarHBondContact O-N 3.13Å; T255-K265 HydrophobicContact CG2-CG 4.4Å; K265-G267 PolarHBondContact O-N 3.29Å; K265-W268 PolarHBondContact O-N 2.03Å |
| 266 | E | 87.3 | Confident | 91.3 | Very high | 197 Ų | 197 | 69.1 Ų | 69.1 | 92% | 0.921 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 131 | 177.5 | -168.2 | 175.8 | -178.2 | 0 | 0 | 111.2 | ||
| 267 | G | 83.7 | Confident | 90.7 | Very high | 15 Ų | 15 | 71 Ų | 71 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K265 L277 N278 | K265-G267 PolarHBondContact O-N 3.29Å; G267-L277 WeakPolarHBondContact O-CB 3.49Å; G267-L277 PolarHBondContact O-N 3.24Å; G267-N278 WeakPolarHBondContact CA-ND2 3.34Å |
| 268 | W | 88.9 | Confident | 90.3 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 27% | 0.265 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 147.6 | 175.7 | -66.1 | 88.1 | 0 | 0 | 0 | 111.8 | H253 C264 K265 C273 Q275 D276 | H253-W268 HydrophobicContact CB-CB 4.03Å; H253-W268 HydrophobicContact CB-CD2 3.47Å; H253-W268 VanDerWaalsContact CB-CD2 3.47Å; H253-W268 HydrophobicContact CB-CE3 4.08Å; H253-W268 HydrophobicContact CB-CG 3.4Å; H253-W268 VanDerWaalsContact CB-CG 3.4Å; H253-W268 AromaticContact CD2-CD2 3.5Å; H253-W268 AromaticContact CD2-CE2 3.55Å; H253-W268 AromaticContact CD2-CE3 3.36Å; H253-W268 AromaticContact CD2-CH2 3.39Å; H253-W268 WeakPolarHBondContact CD2-CH2 3.1Å; H253-W268 AromaticContact CD2-CZ2 3.52Å; H253-W268 AromaticContact CD2-CZ3 3.31Å; H253-W268 WeakPolarHBondContact CD2-CZ3 3.46Å; H253-W268 AromaticContact CE1-CH2 3.99Å; H253-W268 AromaticContact CE1-CZ2 3.72Å; H253-W268 AromaticContact CG-CD2 3.49Å; H253-W268 VanDerWaalsContact CG-CD2 3.49Å; H253-W268 AromaticContact CG-CE2 3.4Å; H253-W268 AromaticContact CG-CE3 3.87Å; H253-W268 AromaticContact CG-CG 3.99Å; H253-W268 AromaticContact CG-CZ2 3.72Å; H253-W268 AromaticContact CG-NE1 3.82Å; H253-W268 AromaticContact ND1-CE2 3.8Å; H253-W268 AromaticContact ND1-CZ2 3.83Å; H253-W268 AromaticContact NE2-CH2 3.38Å; H253-W268 WeakPolarHBondContact NE2-CH2 3.44Å; H253-W268 AromaticContact NE2-CZ2 3.57Å; H253-W268 AromaticContact NE2-CZ3 3.74Å; C264-W268 HydrophobicContact CB-CB 4.26Å; C264-W268 WeakPolarHBondContact CB-O 3.07Å; K265-W268 PolarHBondContact O-N 2.03Å; W268-C273 HydrophobicContact CB-CB 4.36Å; W268-Q275 CarbonylContact C-O 3.59Å; W268-Q275 WeakPolarHBondContact CA-O 3.07Å; W268-D276 HydrophobicContact CE3-CB 4.38Å; W268-D276 HydrophobicContact CH2-CB 4.21Å; W268-D276 HydrophobicContact CZ3-CB 3.95Å |
| 269 | G | 86.7 | Confident | 89.9 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C273 D274 Q275 | G269-C273 CarbonylContact O-C 3.6Å; G269-C273 WeakPolarHBondContact O-CA 3.4Å; G269-D274 PolarHBondContact O-N 3.19Å; G269-Q275 PolarHBondContact N-O 3.48Å; G269-Q275 WeakPolarHBondContact O-CB 3.39Å; G269-Q275 PolarHBondContact O-N 3.2Å |
| 270 | G | 88.7 | Confident | 89.5 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 165.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C264 F272 C273 | C264-G270 PolarHBondContact SG-O 2.78Å; G270-F272 PolarHBondContact O-N 3.43Å; G270-F272 VanDerWaalsContact O-N 3.17Å; G270-C273 PolarHBondContact O-N 3.27Å |
| 271 | I | 88.9 | Confident | 89 | Confident | 134 Ų | 134 | 63.4 Ų | 63.4 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.8 | -178.2 | 58.4 | 169.3 | 0 | 0 | 0 | 113.5 | ||
| 272 | F | 93.8 | Very high | 88.4 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 9.4 | 179.9 | -57.9 | -46.3 | 0 | 0 | 0 | 113.1 | H248 C251 K252 G270 D274 | H248-F272 AromaticContact CE1-CE1 3.38Å; H248-F272 WeakPolarHBondContact CE1-CE1 3.34Å; H248-F272 AromaticContact ND1-CD1 3.68Å; H248-F272 AromaticContact ND1-CE1 3.43Å; H248-F272 WeakPolarHBondContact ND1-CE1 3.48Å; C251-F272 WeakPolarHBondContact CA-O 3.31Å; K252-F272 PolarHBondContact N-O 2.87Å; G270-F272 PolarHBondContact O-N 3.43Å; G270-F272 VanDerWaalsContact O-N 3.17Å; F272-D274 PolarHBondContact O-N 2.91Å |
| 273 | C | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 41.2 | 179.5 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | H253 C262 C264 W268 G269 G270 | H253-C273 HydrophobicContact CB-CB 4.38Å; H253-C273 WeakPolarHBondContact CB-O 3.34Å; H253-C273 PolarHBondContact CD2-O 2.87Å; H253-C273 PolarHBondContact N-O 3.35Å; H253-C273 VanDerWaalsContact N-O 3.13Å; C262-C273 PolarHBondContact O-SG 3.06Å; C262-C273 PolarHBondContact SG-SG 3.19Å; C264-C273 WeakPolarHBondContact CA-SG 3.37Å; C264-C273 HydrophobicContact CB-CB 3.73Å; C264-C273 WeakPolarHBondContact CB-SG 3.04Å; C264-C273 PolarHBondContact N-SG 3.37Å; C264-C273 WeakPolarHBondContact SG-CA 3.21Å; C264-C273 WeakPolarHBondContact SG-CB 3.01Å; C264-C273 CovalentContact SG-SG 2.04Å; C264-C273 PolarHBondContact SG-SG 3.26Å; W268-C273 HydrophobicContact CB-CB 4.36Å; G269-C273 CarbonylContact O-C 3.6Å; G269-C273 WeakPolarHBondContact O-CA 3.4Å; G270-C273 PolarHBondContact O-N 3.27Å |
| 274 | D | 90.4 | Very high | 87.6 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | trans | -107.5 | -8.3 | -178.3 | 58 | -23.9 | 0 | 0 | 0 | 112.5 | K252 G269 F272 | K252-D274 HydrophobicContact CB-CB 4.36Å; K252-D274 HydrophobicContact CG-CB 3.91Å; G269-D274 PolarHBondContact O-N 3.19Å; F272-D274 PolarHBondContact O-N 2.91Å | ||
| 275 | Q | 86.9 | Confident | 87.4 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.8 | 175 | -57.1 | 175.5 | -19.1 | 0 | 0 | 110.2 | W268 G269 L277 E297 | W268-Q275 CarbonylContact C-O 3.59Å; W268-Q275 WeakPolarHBondContact CA-O 3.07Å; G269-Q275 PolarHBondContact N-O 3.48Å; G269-Q275 WeakPolarHBondContact O-CB 3.39Å; G269-Q275 PolarHBondContact O-N 3.2Å; Q275-L277 PolarHBondContact O-N 3.31Å; Q275-E297 VanDerWaalsContact CD-O 3.24Å; Q275-E297 PolarHBondContact OE1-O 3.31Å |
| 276 | D | 85.7 | Confident | 87.4 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 9% | 0.086 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 103.7 | 175.3 | -174.3 | -7.3 | 0 | 0 | 0 | 110.1 | W268 N278 Y279 N282 H283 G298 | W268-D276 HydrophobicContact CE3-CB 4.38Å; W268-D276 HydrophobicContact CH2-CB 4.21Å; W268-D276 HydrophobicContact CZ3-CB 3.95Å; D276-N278 PolarHBondContact O-N 2.03Å; D276-N278 VanDerWaalsContact OD1-C 3.27Å; D276-N278 WeakPolarHBondContact OD1-CA 3.02Å; D276-N278 PolarHBondContact OD1-N 3.18Å; D276-Y279 HydrophobicContact CB-CD2 4.31Å; D276-Y279 PolarHBondContact O-N 3.22Å; D276-Y279 PolarHBondContact OD1-N 3.35Å; D276-N282 PolarHBondContact OD1-ND2 3.28Å; D276-N282 PolarHBondContact OD2-ND2 2.04Å; D276-H283 IonicContact OD2-CD2 3.18Å; D276-H283 IonicContact OD2-NE2 2.62Å; D276-G298 WeakPolarHBondContact O-CA 3.45Å |
| 277 | L | 84.4 | Confident | 87.6 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.8 | 179.7 | -59.3 | 177.2 | 0 | 0 | 0 | 112.6 | G267 Q275 N294 | G267-L277 WeakPolarHBondContact O-CB 3.49Å; G267-L277 PolarHBondContact O-N 3.24Å; Q275-L277 PolarHBondContact O-N 3.31Å; L277-N294 VanDerWaalsContact O-CG 3.29Å; L277-N294 PolarHBondContact O-ND2 2.86Å |
| 278 | N | 84.6 | Confident | 87.7 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 34.7 | 178.9 | -74.2 | -34.2 | 0 | 0 | 0 | 111.7 | G267 D276 C280 T281 N282 | G267-N278 WeakPolarHBondContact CA-ND2 3.34Å; D276-N278 PolarHBondContact O-N 2.03Å; D276-N278 VanDerWaalsContact OD1-C 3.27Å; D276-N278 WeakPolarHBondContact OD1-CA 3.02Å; D276-N278 PolarHBondContact OD1-N 3.18Å; N278-C280 VanDerWaalsContact C-N 3.28Å; N278-C280 PolarHBondContact O-N 3.35Å; N278-T281 PolarHBondContact O-N 3.29Å; N278-T281 VanDerWaalsContact O-N 3.07Å; N278-T281 PolarHBondContact O-OG1 3.38Å; N278-N282 PolarHBondContact O-N 2.8Å |
| 279 | Y | 84.6 | Confident | 87.6 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 28% | 0.275 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51.2 | -44.6 | -177.6 | -159.5 | -85.5 | 0 | 0 | 0 | 113.1 | D276 T281 N282 H283 P285 N294 Y300 | D276-Y279 HydrophobicContact CB-CD2 4.31Å; D276-Y279 PolarHBondContact O-N 3.22Å; D276-Y279 PolarHBondContact OD1-N 3.35Å; Y279-T281 PolarHBondContact O-N 2.87Å; Y279-N282 PolarHBondContact O-N 3.06Å; Y279-H283 HydrophobicContact CD1-CB 4Å; Y279-H283 AromaticContact CD2-CD2 3.8Å; Y279-H283 HydrophobicContact CE1-CB 3.7Å; Y279-H283 AromaticContact CE1-CG 3.93Å; Y279-H283 AromaticContact CE2-CD2 3.73Å; Y279-H283 AromaticContact CZ-CD2 3.88Å; Y279-H283 AromaticContact CZ-CG 3.88Å; Y279-H283 WeakPolarHBondContact O-CB 3.36Å; Y279-H283 PolarHBondContact O-N 3.43Å; Y279-P285 HydrophobicContact CD1-CG 4.25Å; Y279-P285 HydrophobicContact CE1-CB 4.49Å; Y279-P285 HydrophobicContact CE1-CG 4.24Å; Y279-N294 PolarHBondContact N-OD1 2.85Å; Y279-Y300 AromaticContact CD1-CD1 3.38Å; Y279-Y300 HydrophobicContact CD1-CD1 3.38Å; Y279-Y300 AromaticContact CD1-CE1 3.98Å; Y279-Y300 HydrophobicContact CD1-CE1 3.98Å; Y279-Y300 AromaticContact CD1-CG 3.98Å; Y279-Y300 HydrophobicContact CD1-CG 3.98Å; Y279-Y300 AromaticContact CE1-CD1 3.48Å; Y279-Y300 HydrophobicContact CE1-CD1 3.48Å; Y279-Y300 VanDerWaalsContact CE1-CD1 3.48Å; Y279-Y300 AromaticContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CG 4.38Å; Y279-Y300 HydrophobicContact CG-CD1 4.2Å |
| 280 | C | 86.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 10% | 0.095 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -39.7 | 179.4 | -73.7 | 0 | 0 | 0 | 0 | 114 | N278 K284 C292 M293 N294 | N278-C280 VanDerWaalsContact C-N 3.28Å; N278-C280 PolarHBondContact O-N 3.35Å; C280-K284 WeakPolarHBondContact O-CA 3.43Å; C280-K284 WeakPolarHBondContact O-CG 3.35Å; C280-K284 PolarHBondContact O-N 3.32Å; C280-K284 VanDerWaalsContact O-N 3.1Å; C280-C292 WeakPolarHBondContact CA-SG 3.27Å; C280-C292 HydrophobicContact CB-CB 3.64Å; C280-C292 WeakPolarHBondContact CB-SG 3.48Å; C280-C292 WeakPolarHBondContact SG-CB 3.43Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.49Å; C280-M293 PolarHBondContact SG-N 3.2Å; C280-N294 WeakPolarHBondContact CB-OD1 3.4Å; C280-N294 PolarHBondContact N-OD1 2.9Å; C280-N294 PolarHBondContact SG-OD1 3.45Å |
| 281 | T | 83.5 | Confident | 87.9 | Confident | 91 Ų | 91 | 65.6 Ų | 65.6 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -76.3 | -36 | -179.2 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | N278 Y279 | N278-T281 PolarHBondContact O-N 3.29Å; N278-T281 VanDerWaalsContact O-N 3.07Å; N278-T281 PolarHBondContact O-OG1 3.38Å; Y279-T281 PolarHBondContact O-N 2.87Å |
| 282 | N | 82.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -78.5 | -40.5 | -176.4 | -67 | -15.4 | 0 | 0 | 0 | 112.1 | D276 N278 Y279 | D276-N282 PolarHBondContact OD1-ND2 3.28Å; D276-N282 PolarHBondContact OD2-ND2 2.04Å; N278-N282 PolarHBondContact O-N 2.8Å; Y279-N282 PolarHBondContact O-N 3.06Å |
| 283 | H | 84.3 | Confident | 87.9 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -109.9 | -24 | -170.3 | -66.7 | -84.8 | 0 | 0 | 0 | 115 | D276 Y279 | D276-H283 IonicContact OD2-CD2 3.18Å; D276-H283 IonicContact OD2-NE2 2.62Å; Y279-H283 HydrophobicContact CD1-CB 4Å; Y279-H283 AromaticContact CD2-CD2 3.8Å; Y279-H283 HydrophobicContact CE1-CB 3.7Å; Y279-H283 AromaticContact CE1-CG 3.93Å; Y279-H283 AromaticContact CE2-CD2 3.73Å; Y279-H283 AromaticContact CZ-CD2 3.88Å; Y279-H283 AromaticContact CZ-CG 3.88Å; Y279-H283 WeakPolarHBondContact O-CB 3.36Å; Y279-H283 PolarHBondContact O-N 3.43Å |
| 284 | K | 88.8 | Confident | 87.4 | Confident | 166 Ų | 166 | 66.1 Ų | 66.1 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | trans | 44.2 | 59.6 | -177.5 | -59.6 | 178.5 | -177.2 | 177.2 | 0 | 113.5 | C280 C286 | C280-K284 WeakPolarHBondContact O-CA 3.43Å; C280-K284 WeakPolarHBondContact O-CG 3.35Å; C280-K284 PolarHBondContact O-N 3.32Å; C280-K284 VanDerWaalsContact O-N 3.1Å; K284-C286 PolarHBondContact O-N 3.21Å | ||
| 285 | P | 90.4 | Very high | 86.9 | Confident | 28 Ų | 28 | 66 Ų | 66 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | trans | -72.1 | -25.9 | -169.5 | 28.9 | -36 | 0 | 0 | 0 | 114.5 | Y279 Y300 N312 | Y279-P285 HydrophobicContact CD1-CG 4.25Å; Y279-P285 HydrophobicContact CE1-CB 4.49Å; Y279-P285 HydrophobicContact CE1-CG 4.24Å; P285-Y300 HydrophobicContact CB-CD2 4.05Å; P285-Y300 HydrophobicContact CB-CE1 4.2Å; P285-Y300 HydrophobicContact CB-CE2 3.46Å; P285-Y300 VanDerWaalsContact CB-CE2 3.46Å; P285-Y300 HydrophobicContact CG-CD1 4.12Å; P285-Y300 HydrophobicContact CG-CD2 3.3Å; P285-Y300 HydrophobicContact CG-CE1 4.12Å; P285-Y300 HydrophobicContact CG-CE2 3.28Å; P285-Y300 HydrophobicContact CG-CG 3.74Å; P285-N312 PolarHBondContact O-OD1 3.29Å | ||
| 286 | C | 92.5 | Very high | 86 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | trans | -75.8 | 131.1 | -174.7 | -48 | 0 | 0 | 0 | 0 | 112.8 | K284 A290 C292 C302 | K284-C286 PolarHBondContact O-N 3.21Å; C286-A290 HydrophobicContact CB-CB 3.93Å; C286-C292 HydrophobicContact CB-CB 4.43Å; C286-C292 WeakPolarHBondContact SG-CA 3.38Å; C286-C292 WeakPolarHBondContact SG-CB 3.36Å; C286-C292 VanDerWaalsContact SG-SG 3.67Å; C286-C302 WeakPolarHBondContact CA-SG 3.21Å; C286-C302 HydrophobicContact CB-CB 3.75Å; C286-C302 WeakPolarHBondContact CB-SG 3.4Å; C286-C302 WeakPolarHBondContact SG-CA 3.41Å; C286-C302 WeakPolarHBondContact SG-CB 3.44Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.17Å | ||
| 287 | A | 90.1 | Very high | 85.4 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 28% | 0.281 | 40% | 0.398 | S | S | . | . | trans | -91.2 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G289 A290 N312 D314 | A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 2.83Å; A287-G289 VanDerWaalsContact O-N 3.08Å; A287-A290 VanDerWaalsContact O-CB 3.24Å; A287-A290 WeakPolarHBondContact O-CB 3Å; A287-A290 PolarHBondContact O-N 2.02Å; A287-N312 WeakPolarHBondContact CB-O 3.24Å; A287-N312 PolarHBondContact N-O 3.32Å; A287-D314 HydrophobicContact CB-CB 4.23Å | ||
| 288 | N | 87.6 | Confident | 84.7 | Confident | 80 Ų | 80 | 68.2 Ų | 68.2 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 33.5 | 168.8 | -58.8 | -44.1 | 0 | 0 | 0 | 115.6 | A290 L305 F308 C313 | N288-A290 PolarHBondContact O-N 3.02Å; N288-L305 WeakPolarHBondContact O-CD1 3.5Å; N288-F308 HydrophobicContact CB-CD1 3.83Å; N288-F308 HydrophobicContact CB-CD2 4.29Å; N288-F308 HydrophobicContact CB-CE1 3.78Å; N288-F308 HydrophobicContact CB-CE2 4.24Å; N288-F308 HydrophobicContact CB-CG 4.09Å; N288-F308 HydrophobicContact CB-CZ 3.99Å; N288-F308 VanDerWaalsContact CG-CE1 3.44Å; N288-F308 VanDerWaalsContact ND2-CD1 3.27Å; N288-F308 WeakPolarHBondContact ND2-CD1 3.02Å; N288-F308 WeakPolarHBondContact ND2-CE1 3.43Å; N288-C313 PolarHBondContact ND2-O 3.08Å |
| 289 | G | 84.9 | Confident | 84.4 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 66% | 0.66 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 13.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A287 | A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 2.83Å; A287-G289 VanDerWaalsContact O-N 3.08Å |
| 290 | A | 90.9 | Very high | 84.6 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | C286 A287 N288 A303 C313 | C286-A290 HydrophobicContact CB-CB 3.93Å; A287-A290 VanDerWaalsContact O-CB 3.24Å; A287-A290 WeakPolarHBondContact O-CB 3Å; A287-A290 PolarHBondContact O-N 2.02Å; N288-A290 PolarHBondContact O-N 3.02Å; A290-A303 WeakPolarHBondContact CA-O 3.41Å; A290-A303 WeakPolarHBondContact CB-O 3.34Å; A290-C313 HydrophobicContact CB-CB 3.7Å; A290-C313 VanDerWaalsContact CB-SG 3.55Å |
| 291 | T | 91.6 | Very high | 84.8 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.3 | -179.8 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | A303 | T291-A303 PolarHBondContact N-O 2.82Å; T291-A303 PolarHBondContact O-N 3.25Å |
| 292 | C | 92.3 | Very high | 85.2 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 22% | 0.223 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.7 | 175.8 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | C280 C286 | C280-C292 WeakPolarHBondContact CA-SG 3.27Å; C280-C292 HydrophobicContact CB-CB 3.64Å; C280-C292 WeakPolarHBondContact CB-SG 3.48Å; C280-C292 WeakPolarHBondContact SG-CB 3.43Å; C280-C292 CovalentContact SG-SG 2.03Å; C280-C292 PolarHBondContact SG-SG 3.49Å; C286-C292 HydrophobicContact CB-CB 4.43Å; C286-C292 WeakPolarHBondContact SG-CA 3.38Å; C286-C292 WeakPolarHBondContact SG-CB 3.36Å; C286-C292 VanDerWaalsContact SG-SG 3.67Å |
| 293 | M | 89.4 | Confident | 85.5 | Confident | 112 Ų | 112 | 68 Ų | 68 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.3 | 175.3 | -56.6 | 178.4 | 75 | 0 | 0 | 109.8 | C280 Y300 T301 | C280-M293 PolarHBondContact SG-N 3.2Å; M293-Y300 CarbonylContact O-C 3.51Å; M293-Y300 WeakPolarHBondContact O-CA 3.39Å; M293-T301 HydrophobicContact CB-CG2 3.93Å; M293-T301 PolarHBondContact N-O 2.85Å; M293-T301 PolarHBondContact O-N 3.2Å |
| 294 | N | 84.7 | Confident | 85.7 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 127.2 | 173.1 | -61.7 | -45.8 | 0 | 0 | 0 | 108.7 | L277 Y279 C280 | L277-N294 VanDerWaalsContact O-CG 3.29Å; L277-N294 PolarHBondContact O-ND2 2.86Å; Y279-N294 PolarHBondContact N-OD1 2.85Å; C280-N294 WeakPolarHBondContact CB-OD1 3.4Å; C280-N294 PolarHBondContact N-OD1 2.9Å; C280-N294 PolarHBondContact SG-OD1 3.45Å |
| 295 | T | 79.4 | Confident | 85.4 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 0.9 | -178.6 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | Y299 T301 | T295-Y299 PolarHBondContact N-O 2.85Å; T295-Y299 WeakPolarHBondContact OG1-CB 3.37Å; T295-Y299 PolarHBondContact OG1-O 3.14Å; T295-Y299 VanDerWaalsContact OG1-O 3.14Å; T295-T301 HydrophobicContact CG2-CG2 3.63Å |
| 296 | G | 67.6 | Low | 84.9 | Confident | 31 Ų | 31 | 66 Ų | 66 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.2 | 166 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G298 Y299 | G296-G298 PolarHBondContact O-N 2.97Å; G296-G298 VanDerWaalsContact O-N 3.14Å; G296-Y299 PolarHBondContact O-N 3.21Å |
| 297 | E | 73.3 | Confident | 84 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 65% | 0.645 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 19 | 179.9 | -53.1 | -171.7 | 151.4 | 0 | 0 | 116.2 | Q275 Y299 | Q275-E297 VanDerWaalsContact CD-O 3.24Å; Q275-E297 PolarHBondContact OE1-O 3.31Å; E297-Y299 HydrophobicContact CB-CD2 4.31Å |
| 298 | G | 68.9 | Low | 83.7 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 10.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D276 G296 | D276-G298 WeakPolarHBondContact O-CA 3.45Å; G296-G298 PolarHBondContact O-N 2.97Å; G296-G298 VanDerWaalsContact O-N 3.14Å |
| 299 | Y | 79.6 | Confident | 83.3 | Confident | 162 Ų | 162 | 65.6 Ų | 65.6 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 158.9 | 177.2 | -70.4 | -85.7 | 0 | 0 | 0 | 112.5 | T295 G296 E297 | T295-Y299 PolarHBondContact N-O 2.85Å; T295-Y299 WeakPolarHBondContact OG1-CB 3.37Å; T295-Y299 PolarHBondContact OG1-O 3.14Å; T295-Y299 VanDerWaalsContact OG1-O 3.14Å; G296-Y299 PolarHBondContact O-N 3.21Å; E297-Y299 HydrophobicContact CB-CD2 4.31Å |
| 300 | Y | 87.4 | Confident | 83.3 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161.1 | 176.5 | 71.5 | -83.9 | 0 | 0 | 0 | 111 | Y279 P285 M293 N312 | Y279-Y300 AromaticContact CD1-CD1 3.38Å; Y279-Y300 HydrophobicContact CD1-CD1 3.38Å; Y279-Y300 AromaticContact CD1-CE1 3.98Å; Y279-Y300 HydrophobicContact CD1-CE1 3.98Å; Y279-Y300 AromaticContact CD1-CG 3.98Å; Y279-Y300 HydrophobicContact CD1-CG 3.98Å; Y279-Y300 AromaticContact CE1-CD1 3.48Å; Y279-Y300 HydrophobicContact CE1-CD1 3.48Å; Y279-Y300 VanDerWaalsContact CE1-CD1 3.48Å; Y279-Y300 AromaticContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CE1 3.55Å; Y279-Y300 HydrophobicContact CE1-CG 4.38Å; Y279-Y300 HydrophobicContact CG-CD1 4.2Å; P285-Y300 HydrophobicContact CB-CD2 4.05Å; P285-Y300 HydrophobicContact CB-CE1 4.2Å; P285-Y300 HydrophobicContact CB-CE2 3.46Å; P285-Y300 VanDerWaalsContact CB-CE2 3.46Å; P285-Y300 HydrophobicContact CG-CD1 4.12Å; P285-Y300 HydrophobicContact CG-CD2 3.3Å; P285-Y300 HydrophobicContact CG-CE1 4.12Å; P285-Y300 HydrophobicContact CG-CE2 3.28Å; P285-Y300 HydrophobicContact CG-CG 3.74Å; M293-Y300 CarbonylContact O-C 3.51Å; M293-Y300 WeakPolarHBondContact O-CA 3.39Å; Y300-N312 VanDerWaalsContact CE2-OD1 3.23Å; Y300-N312 WeakPolarHBondContact CE2-OD1 3.18Å; Y300-N312 PolarHBondContact OH-OD1 3.29Å |
| 301 | T | 90.4 | Very high | 83 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.6 | 169.7 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | M293 T295 | M293-T301 HydrophobicContact CB-CG2 3.93Å; M293-T301 PolarHBondContact N-O 2.85Å; M293-T301 PolarHBondContact O-N 3.2Å; T295-T301 HydrophobicContact CG2-CG2 3.63Å |
| 302 | C | 92.4 | Very high | 83 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 10% | 0.095 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.5 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | C286 C304 E311 C313 | C286-C302 WeakPolarHBondContact CA-SG 3.21Å; C286-C302 HydrophobicContact CB-CB 3.75Å; C286-C302 WeakPolarHBondContact CB-SG 3.4Å; C286-C302 WeakPolarHBondContact SG-CA 3.41Å; C286-C302 WeakPolarHBondContact SG-CB 3.44Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.17Å; C302-C304 PolarHBondContact O-N 3.4Å; C302-E311 WeakPolarHBondContact CB-O 3.01Å; C302-E311 PolarHBondContact SG-O 3.48Å; C302-C313 WeakPolarHBondContact CB-SG 3.5Å |
| 303 | A | 89.2 | Confident | 82.9 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 99 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A290 T291 | A290-A303 WeakPolarHBondContact CA-O 3.41Å; A290-A303 WeakPolarHBondContact CB-O 3.34Å; T291-A303 PolarHBondContact N-O 2.82Å; T291-A303 PolarHBondContact O-N 3.25Å |
| 304 | C | 88.1 | Confident | 82.9 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 142.4 | -177.1 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | C302 F308 C313 | C302-C304 PolarHBondContact O-N 3.4Å; C304-F308 HydrophobicContact CB-CB 4.39Å; C304-F308 VanDerWaalsContact CB-O 3.29Å; C304-F308 WeakPolarHBondContact CB-O 3.48Å; C304-C313 WeakPolarHBondContact CA-SG 3.27Å; C304-C313 HydrophobicContact CB-CB 3.69Å; C304-C313 WeakPolarHBondContact CB-SG 3.5Å; C304-C313 PolarHBondContact N-SG 3.48Å; C304-C313 VanDerWaalsContact N-SG 3.4Å; C304-C313 WeakPolarHBondContact SG-CA 3.42Å; C304-C313 WeakPolarHBondContact SG-CB 3.25Å; C304-C313 CovalentContact SG-SG 2.03Å; C304-C313 PolarHBondContact SG-SG 2.03Å |
| 305 | L | 82.9 | Confident | 82.9 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -72 | 155.8 | 168.7 | -67.5 | 178.4 | 0 | 0 | 0 | 110.4 | N288 G307 F308 | N288-L305 WeakPolarHBondContact O-CD1 3.5Å; L305-G307 PolarHBondContact O-N 2.03Å; L305-F308 HydrophobicContact CB-CD2 4.3Å; L305-F308 PolarHBondContact O-N 3.49Å |
| 306 | P | 79.1 | Confident | 82.7 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 83% | 0.825 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.2 | 175.2 | -25.7 | 34.5 | 0 | 0 | 0 | 111.8 | ||
| 307 | G | 73.8 | Confident | 82.7 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -0.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L305 E316 V317 | L305-G307 PolarHBondContact O-N 2.03Å; G307-E316 CarbonylContact O-C 3.5Å; G307-E316 WeakPolarHBondContact O-CA 3.46Å; G307-V317 PolarHBondContact O-N 3.14Å |
| 308 | F | 82.9 | Confident | 82.5 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 28% | 0.281 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.9 | 175.6 | -61 | -84.8 | 0 | 0 | 0 | 112.3 | N288 C304 L305 C313 L315 | N288-F308 HydrophobicContact CB-CD1 3.83Å; N288-F308 HydrophobicContact CB-CD2 4.29Å; N288-F308 HydrophobicContact CB-CE1 3.78Å; N288-F308 HydrophobicContact CB-CE2 4.24Å; N288-F308 HydrophobicContact CB-CG 4.09Å; N288-F308 HydrophobicContact CB-CZ 3.99Å; N288-F308 VanDerWaalsContact CG-CE1 3.44Å; N288-F308 VanDerWaalsContact ND2-CD1 3.27Å; N288-F308 WeakPolarHBondContact ND2-CD1 3.02Å; N288-F308 WeakPolarHBondContact ND2-CE1 3.43Å; C304-F308 HydrophobicContact CB-CB 4.39Å; C304-F308 VanDerWaalsContact CB-O 3.29Å; C304-F308 WeakPolarHBondContact CB-O 3.48Å; L305-F308 HydrophobicContact CB-CD2 4.3Å; L305-F308 PolarHBondContact O-N 3.49Å; F308-C313 HydrophobicContact CB-CB 4.39Å; F308-L315 CarbonylContact C-O 3.58Å; F308-L315 WeakPolarHBondContact CA-O 3.23Å |
| 309 | A | 80.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 75.5 Ų | 75.5 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -175.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | C313 D314 L315 V317 | A309-C313 CarbonylContact O-C 3.59Å; A309-C313 VanDerWaalsContact O-CA 3.25Å; A309-C313 WeakPolarHBondContact O-CA 3.03Å; A309-D314 PolarHBondContact O-N 3.44Å; A309-L315 PolarHBondContact N-O 2.8Å; A309-L315 WeakPolarHBondContact O-CA 3.16Å; A309-L315 VanDerWaalsContact O-CB 3.27Å; A309-L315 WeakPolarHBondContact O-CB 3.22Å; A309-L315 PolarHBondContact O-N 3.32Å; A309-V317 HydrophobicContact CB-CG2 3.32Å |
| 310 | G | 84 | Confident | 82.5 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 97 | 165.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N312 C313 | G310-N312 PolarHBondContact O-N 2.95Å; G310-C313 PolarHBondContact O-N 3.1Å |
| 311 | E | 86.4 | Confident | 81.8 | Confident | 147 Ų | 147 | 71.9 Ų | 71.9 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -36 | -179.6 | -172.4 | -179.7 | 174.8 | 0 | 0 | 111.7 | C302 | C302-E311 WeakPolarHBondContact CB-O 3.01Å; C302-E311 PolarHBondContact SG-O 3.48Å |
| 312 | N | 91.1 | Very high | 80.8 | Confident | 42 Ų | 42 | 73 Ų | 73 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 10.6 | 180 | -69.9 | -43 | 0 | 0 | 0 | 113.8 | P285 A287 Y300 G310 D314 | P285-N312 PolarHBondContact O-OD1 3.29Å; A287-N312 WeakPolarHBondContact CB-O 3.24Å; A287-N312 PolarHBondContact N-O 3.32Å; Y300-N312 VanDerWaalsContact CE2-OD1 3.23Å; Y300-N312 WeakPolarHBondContact CE2-OD1 3.18Å; Y300-N312 PolarHBondContact OH-OD1 3.29Å; G310-N312 PolarHBondContact O-N 2.95Å; N312-D314 PolarHBondContact O-N 3.22Å |
| 313 | C | 89.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 44% | 0.444 | C | S | . | . | S | Bend | trans | 56.8 | 31.1 | -176 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | N288 A290 C302 C304 F308 A309 G310 | N288-C313 PolarHBondContact ND2-O 3.08Å; A290-C313 HydrophobicContact CB-CB 3.7Å; A290-C313 VanDerWaalsContact CB-SG 3.55Å; C302-C313 WeakPolarHBondContact CB-SG 3.5Å; C304-C313 WeakPolarHBondContact CA-SG 3.27Å; C304-C313 HydrophobicContact CB-CB 3.69Å; C304-C313 WeakPolarHBondContact CB-SG 3.5Å; C304-C313 PolarHBondContact N-SG 3.48Å; C304-C313 VanDerWaalsContact N-SG 3.4Å; C304-C313 WeakPolarHBondContact SG-CA 3.42Å; C304-C313 WeakPolarHBondContact SG-CB 3.25Å; C304-C313 CovalentContact SG-SG 2.03Å; C304-C313 PolarHBondContact SG-SG 2.03Å; F308-C313 HydrophobicContact CB-CB 4.39Å; A309-C313 CarbonylContact O-C 3.59Å; A309-C313 VanDerWaalsContact O-CA 3.25Å; A309-C313 WeakPolarHBondContact O-CA 3.03Å; G310-C313 PolarHBondContact O-N 3.1Å |
| 314 | D | 89.8 | Confident | 79.7 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | trans | -91.5 | -9.7 | -177.7 | 59.3 | -37.1 | 0 | 0 | 0 | 113.2 | A287 A309 N312 | A287-D314 HydrophobicContact CB-CB 4.23Å; A309-D314 PolarHBondContact O-N 3.44Å; N312-D314 PolarHBondContact O-N 3.22Å | ||
| 315 | L | 83.2 | Confident | 79.7 | Confident | 100 Ų | 100 | 77.7 Ų | 77.7 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.3 | 178.6 | -51.2 | 176.7 | 0 | 0 | 0 | 110.2 | F308 A309 | F308-L315 CarbonylContact C-O 3.58Å; F308-L315 WeakPolarHBondContact CA-O 3.23Å; A309-L315 PolarHBondContact N-O 2.8Å; A309-L315 WeakPolarHBondContact O-CA 3.16Å; A309-L315 VanDerWaalsContact O-CB 3.27Å; A309-L315 WeakPolarHBondContact O-CB 3.22Å; A309-L315 PolarHBondContact O-N 3.32Å |
| 316 | E | 75.3 | Confident | 79.8 | Confident | 158 Ų | 158 | 78.9 Ų | 78.9 | 74% | 0.738 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.5 | 171.4 | -167.1 | 173.9 | -170.9 | 0 | 0 | 109.2 | G307 | G307-E316 CarbonylContact O-C 3.5Å; G307-E316 WeakPolarHBondContact O-CA 3.46Å |
| 317 | V | 69.6 | Low | 80.1 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 30% | 0.303 | 41% | 0.405 | S | S | . | . | trans | -104.7 | 118.8 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | G307 A309 | G307-V317 PolarHBondContact O-N 3.14Å; A309-V317 HydrophobicContact CB-CG2 3.32Å | ||
| 318 | R | 68.7 | Low | 80.4 | Confident | 149 Ų | 149 | 78.8 Ų | 78.8 | 56% | 0.562 | 42% | 0.424 | S | S | * | . | trans | -80.8 | 142.1 | 168.8 | -70.3 | 173.5 | 44.4 | 156.7 | -7.8 | 109.9 | C320 D321 D333 | R318-C320 PolarHBondContact O-N 3.13Å; R318-C320 VanDerWaalsContact O-N 3.13Å; R318-D321 PolarHBondContact N-OD2 2.97Å; R318-D321 WeakPolarHBondContact O-CB 2.96Å; R318-D321 PolarHBondContact O-N 3.27Å; R318-D333 IonicContact CZ-OD2 3.13Å; R318-D333 IonicContact NE-OD2 3.59Å; R318-D333 PolarHBondContact NE-OD2 3.08Å; R318-D333 VanDerWaalsContact NE-OD2 3.08Å; R318-D333 IonicContact NH2-OD2 3.08Å; R318-D333 PolarHBondContact NH2-OD2 3.1Å | ||
| 319 | E | 71.1 | Confident | 80.7 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.4 | -170.8 | -66.2 | 85.1 | 168.3 | 0 | 0 | 113.2 | D333 Y338 | E319-D333 PolarHBondContact N-OD1 2.98Å; E319-Y338 HydrophobicContact CB-CD1 3.94Å; E319-Y338 HydrophobicContact CB-CG 4.33Å |
| 320 | C | 76.4 | Confident | 81 | Confident | 21 Ų | 21 | 83.4 Ų | 83.4 | 14% | 0.142 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.2 | 175.6 | -74.6 | 0 | 0 | 0 | 0 | 115.8 | R318 S322 K323 C331 V332 D333 | R318-C320 PolarHBondContact O-N 3.13Å; R318-C320 VanDerWaalsContact O-N 3.13Å; C320-S322 PolarHBondContact O-N 3.42Å; C320-K323 PolarHBondContact O-N 2.81Å; C320-C331 WeakPolarHBondContact CA-SG 3.28Å; C320-C331 HydrophobicContact CB-CB 3.77Å; C320-C331 WeakPolarHBondContact CB-SG 2.96Å; C320-C331 WeakPolarHBondContact SG-CB 3.19Å; C320-C331 CovalentContact SG-SG 2.05Å; C320-C331 PolarHBondContact SG-SG 2.9Å; C320-V332 PolarHBondContact SG-N 2.98Å; C320-D333 VanDerWaalsContact CB-OD1 3.28Å; C320-D333 WeakPolarHBondContact CB-OD1 3.48Å; C320-D333 PolarHBondContact N-OD1 3.35Å; C320-D333 PolarHBondContact SG-N 3.08Å; C320-D333 VanDerWaalsContact SG-N 3.44Å; C320-D333 PolarHBondContact SG-OD1 3.38Å |
| 321 | D | 73 | Confident | 81.2 | Confident | 108 Ų | 108 | 83.1 Ų | 83.1 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -26.8 | -179.8 | -69.3 | -27.8 | 0 | 0 | 0 | 111.9 | R318 K323 | R318-D321 PolarHBondContact N-OD2 2.97Å; R318-D321 WeakPolarHBondContact O-CB 2.96Å; R318-D321 PolarHBondContact O-N 3.27Å; D321-K323 PolarHBondContact O-N 3.06Å |
| 322 | S | 68.9 | Low | 81.1 | Confident | 92 Ų | 92 | 78.7 Ų | 78.7 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -4.4 | 175.1 | -39.3 | 0 | 0 | 0 | 0 | 113.8 | C320 | C320-S322 PolarHBondContact O-N 3.42Š|
| 323 | K | 78.3 | Confident | 80.3 | Confident | 177 Ų | 177 | 79.1 Ų | 79.1 | 77% | 0.77 | 41% | 0.414 | S | S | * | . | trans | 48.4 | 58.8 | -174.4 | -59.5 | 177.5 | -176.4 | 174 | 0 | 113.2 | C320 D321 C325 | C320-K323 PolarHBondContact O-N 2.81Å; D321-K323 PolarHBondContact O-N 3.06Å; K323-C325 PolarHBondContact O-N 3.39Å | ||
| 324 | P | 81.9 | Confident | 79.4 | Confident | 19 Ų | 19 | 82.1 Ų | 82.1 | 12% | 0.123 | 44% | 0.435 | C | S | . | . | trans | -73 | -9.6 | -172.5 | 30.7 | -37.3 | 0 | 0 | 0 | 115 | Y338 | P324-Y338 HydrophobicContact CB-CD2 4.01Å; P324-Y338 HydrophobicContact CB-CE1 4.3Å; P324-Y338 HydrophobicContact CB-CE2 3.37Å; P324-Y338 HydrophobicContact CG-CD1 4.36Å; P324-Y338 HydrophobicContact CG-CD2 3.42Å; P324-Y338 VanDerWaalsContact CG-CD2 3.42Å; P324-Y338 HydrophobicContact CG-CE1 4.3Å; P324-Y338 HydrophobicContact CG-CE2 3.35Å; P324-Y338 HydrophobicContact CG-CG 3.93Å | ||
| 325 | C | 87.6 | Confident | 78.1 | Confident | 18 Ų | 18 | 87.4 Ų | 87.4 | 12% | 0.122 | 46% | 0.457 | C | S | . | . | trans | -90.7 | 125.7 | -178.5 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | K323 G329 C331 C340 | K323-C325 PolarHBondContact O-N 3.39Å; C325-G329 WeakPolarHBondContact CB-O 3.29Å; C325-C331 WeakPolarHBondContact SG-CA 3.18Å; C325-C331 WeakPolarHBondContact SG-CB 3.16Å; C325-C340 WeakPolarHBondContact CA-SG 3.39Å; C325-C340 HydrophobicContact CB-CB 3.76Å; C325-C340 WeakPolarHBondContact CB-SG 3.49Å; C325-C340 WeakPolarHBondContact SG-CA 3.41Å; C325-C340 WeakPolarHBondContact SG-CB 2.97Å; C325-C340 CovalentContact SG-SG 2.03Å; C325-C340 PolarHBondContact SG-SG 2.87Å | ||
| 326 | H | 85.1 | Confident | 76.9 | Confident | 110 Ų | 110 | 89.1 Ų | 89.1 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | trans | -88.1 | 171.4 | 178.2 | -65.8 | -72.5 | 0 | 0 | 0 | 112.4 | G328 G329 H350 | H326-G328 PolarHBondContact O-N 3.28Å; H326-G329 PolarHBondContact O-N 3.06Å; H326-H350 WeakPolarHBondContact CB-O 3.39Å; H326-H350 PolarHBondContact N-O 2.95Å | ||
| 327 | N | 83.9 | Confident | 76.8 | Confident | 85 Ų | 85 | 82.3 Ų | 82.3 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 30.3 | 174.1 | -60 | -45.2 | 0 | 0 | 0 | 115.4 | P343 F346 C351 | N327-P343 VanDerWaalsContact O-CG 3.25Å; N327-P343 WeakPolarHBondContact O-CG 3.06Å; N327-F346 HydrophobicContact CB-CD1 3.8Å; N327-F346 HydrophobicContact CB-CD2 4.38Å; N327-F346 HydrophobicContact CB-CE1 3.77Å; N327-F346 HydrophobicContact CB-CE2 4.36Å; N327-F346 HydrophobicContact CB-CG 4.1Å; N327-F346 HydrophobicContact CB-CZ 4.06Å; N327-F346 VanDerWaalsContact CG-CE1 3.49Å; N327-F346 WeakPolarHBondContact ND2-CD1 3.45Å; N327-F346 WeakPolarHBondContact ND2-CE1 3.42Å; N327-C351 PolarHBondContact ND2-O 3.13Å |
| 328 | G | 81.8 | Confident | 77.3 | Confident | 71 Ų | 71 | 84.3 Ų | 84.3 | 73% | 0.732 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 17 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H326 | H326-G328 PolarHBondContact O-N 3.28Š|
| 329 | G | 87.5 | Confident | 78 | Confident | 14 Ų | 14 | 80.4 Ų | 80.4 | 14% | 0.144 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60 | 140.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C325 H326 T341 | C325-G329 WeakPolarHBondContact CB-O 3.29Å; H326-G329 PolarHBondContact O-N 3.06Å; G329-T341 WeakPolarHBondContact CA-O 3.45Å |
| 330 | R | 88.3 | Confident | 78.8 | Confident | 181 Ų | 181 | 77.3 Ų | 77.3 | 68% | 0.683 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.8 | 175.6 | 177.1 | 178.8 | 161.2 | 83.7 | 3.5 | 109.6 | T341 | R330-T341 PolarHBondContact N-O 2.83Å; R330-T341 PolarHBondContact O-N 3.45Å; R330-T341 PolarHBondContact O-OG1 3.24Å |
| 331 | C | 87.1 | Confident | 79.4 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 19% | 0.189 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 138.9 | 174.3 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | C320 C325 | C320-C331 WeakPolarHBondContact CA-SG 3.28Å; C320-C331 HydrophobicContact CB-CB 3.77Å; C320-C331 WeakPolarHBondContact CB-SG 2.96Å; C320-C331 WeakPolarHBondContact SG-CB 3.19Å; C320-C331 CovalentContact SG-SG 2.05Å; C320-C331 PolarHBondContact SG-SG 2.9Å; C325-C331 WeakPolarHBondContact SG-CA 3.18Å; C325-C331 WeakPolarHBondContact SG-CB 3.16Å |
| 332 | V | 84 | Confident | 80 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 33% | 0.327 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.6 | 169.7 | -79.9 | 0 | 0 | 0 | 0 | 109.9 | C320 Y338 S339 | C320-V332 PolarHBondContact SG-N 2.98Å; V332-Y338 WeakPolarHBondContact O-CA 3.01Å; V332-S339 WeakPolarHBondContact CG2-O 3.41Å; V332-S339 PolarHBondContact N-O 2.76Å; V332-S339 PolarHBondContact O-N 2.62Å |
| 333 | D | 75.6 | Confident | 80.6 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 143.4 | 174.2 | -57.7 | -56.2 | 0 | 0 | 0 | 109.7 | R318 E319 C320 | R318-D333 IonicContact CZ-OD2 3.13Å; R318-D333 IonicContact NE-OD2 3.59Å; R318-D333 PolarHBondContact NE-OD2 3.08Å; R318-D333 VanDerWaalsContact NE-OD2 3.08Å; R318-D333 IonicContact NH2-OD2 3.08Å; R318-D333 PolarHBondContact NH2-OD2 3.1Å; E319-D333 PolarHBondContact N-OD1 2.98Å; C320-D333 VanDerWaalsContact CB-OD1 3.28Å; C320-D333 WeakPolarHBondContact CB-OD1 3.48Å; C320-D333 PolarHBondContact N-OD1 3.35Å; C320-D333 PolarHBondContact SG-N 3.08Å; C320-D333 VanDerWaalsContact SG-N 3.44Å; C320-D333 PolarHBondContact SG-OD1 3.38Å |
| 334 | S | 70.9 | Confident | 80.7 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.4 | -174.7 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | T336 G337 | S334-T336 PolarHBondContact O-N 3.18Å; S334-G337 PolarHBondContact N-O 3.4Å; S334-G337 CarbonylContact O-C 3.21Å; S334-G337 PolarHBondContact O-N 2.96Å |
| 335 | E | 63.2 | Low | 80.3 | Confident | 204 Ų | 204 | 73.4 Ų | 73.4 | 95% | 0.953 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.4 | 179.5 | -67.6 | -178.3 | 176 | 0 | 0 | 113.5 | ||
| 336 | T | 58 | Low | 80.1 | Confident | 137 Ų | 137 | 75.6 Ų | 75.6 | 84% | 0.84 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 17.9 | 175.4 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | S334 | S334-T336 PolarHBondContact O-N 3.18Š|
| 337 | G | 72 | Confident | 79.9 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.5 | -106.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S334 | S334-G337 PolarHBondContact N-O 3.4Å; S334-G337 CarbonylContact O-C 3.21Å; S334-G337 PolarHBondContact O-N 2.96Å |
| 338 | Y | 79.7 | Confident | 79.9 | Confident | 92 Ų | 92 | 72.5 Ų | 72.5 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 157.3 | 178.4 | 66.4 | -85.4 | 0 | 0 | 0 | 112.4 | E319 P324 V332 H350 | E319-Y338 HydrophobicContact CB-CD1 3.94Å; E319-Y338 HydrophobicContact CB-CG 4.33Å; P324-Y338 HydrophobicContact CB-CD2 4.01Å; P324-Y338 HydrophobicContact CB-CE1 4.3Å; P324-Y338 HydrophobicContact CB-CE2 3.37Å; P324-Y338 HydrophobicContact CG-CD1 4.36Å; P324-Y338 HydrophobicContact CG-CD2 3.42Å; P324-Y338 VanDerWaalsContact CG-CD2 3.42Å; P324-Y338 HydrophobicContact CG-CE1 4.3Å; P324-Y338 HydrophobicContact CG-CE2 3.35Å; P324-Y338 HydrophobicContact CG-CG 3.93Å; V332-Y338 WeakPolarHBondContact O-CA 3.01Å; Y338-H350 AromaticContact CE2-CE1 3.63Å; Y338-H350 AromaticContact CE2-ND1 3.63Å; Y338-H350 AromaticContact CZ-CE1 3.62Å; Y338-H350 AromaticContact CZ-ND1 3.98Å; Y338-H350 PolarHBondContact OH-CE1 2.02Å; Y338-H350 PolarHBondContact OH-ND1 3.41Å |
| 339 | S | 83.8 | Confident | 79.9 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 46% | 0.462 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.3 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | V332 | V332-S339 WeakPolarHBondContact CG2-O 3.41Å; V332-S339 PolarHBondContact N-O 2.76Å; V332-S339 PolarHBondContact O-N 2.62Å |
| 340 | C | 88.2 | Confident | 79.9 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.8 | 176.2 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | C325 P349 | C325-C340 WeakPolarHBondContact CA-SG 3.39Å; C325-C340 HydrophobicContact CB-CB 3.76Å; C325-C340 WeakPolarHBondContact CB-SG 3.49Å; C325-C340 WeakPolarHBondContact SG-CA 3.41Å; C325-C340 WeakPolarHBondContact SG-CB 2.97Å; C325-C340 CovalentContact SG-SG 2.03Å; C325-C340 PolarHBondContact SG-SG 2.87Å; C340-P349 VanDerWaalsContact CB-O 3.3Å; C340-P349 WeakPolarHBondContact CB-O 3.44Å; C340-P349 PolarHBondContact SG-O 3.31Å |
| 341 | T | 88.4 | Confident | 79.9 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 108.8 | 173.7 | -22.3 | 0 | 0 | 0 | 0 | 108.3 | G329 R330 | G329-T341 WeakPolarHBondContact CA-O 3.45Å; R330-T341 PolarHBondContact N-O 2.83Å; R330-T341 PolarHBondContact O-N 3.45Å; R330-T341 PolarHBondContact O-OG1 3.24Å |
| 342 | C | 86.1 | Confident | 79.9 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 31% | 0.311 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 138.3 | -169.6 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | F346 G348 C351 | C342-F346 WeakPolarHBondContact CB-O 3.37Å; C342-G348 PolarHBondContact SG-O 2.05Å; C342-C351 WeakPolarHBondContact CA-SG 3.22Å; C342-C351 HydrophobicContact CB-CB 3.66Å; C342-C351 WeakPolarHBondContact CB-SG 3.43Å; C342-C351 WeakPolarHBondContact SG-CA 3.19Å; C342-C351 WeakPolarHBondContact SG-CB 3.28Å; C342-C351 CovalentContact SG-SG 2.04Å; C342-C351 PolarHBondContact SG-SG 2.84Å |
| 343 | P | 82.3 | Confident | 79.7 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 161.9 | 172.7 | 27.3 | -28.9 | 0 | 0 | 0 | 111.2 | N327 G345 F346 | N327-P343 VanDerWaalsContact O-CG 3.25Å; N327-P343 WeakPolarHBondContact O-CG 3.06Å; P343-G345 PolarHBondContact O-N 3.44Å; P343-F346 HydrophobicContact CG-CD2 4.25Å; P343-F346 PolarHBondContact O-N 2.85Å |
| 344 | N | 78.9 | Confident | 79.7 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 67% | 0.674 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 131.5 | -176.4 | -67.7 | -58.1 | 0 | 0 | 0 | 112.1 | R376 | N344-R376 PolarHBondContact OD1-NH2 2.83Š|
| 345 | G | 74.6 | Confident | 80 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 4.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P343 R354 I355 | P343-G345 PolarHBondContact O-N 3.44Å; G345-R354 CarbonylContact O-C 3.57Å; G345-R354 WeakPolarHBondContact O-CA 3.07Å; G345-I355 PolarHBondContact O-N 2.87Å |
| 346 | F | 82.6 | Confident | 80.4 | Confident | 63 Ų | 63 | 67 Ų | 67 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.5 | 173.9 | -64 | -91 | 0 | 0 | 0 | 111.6 | N327 C342 P343 C351 H353 R354 | N327-F346 HydrophobicContact CB-CD1 3.8Å; N327-F346 HydrophobicContact CB-CD2 4.38Å; N327-F346 HydrophobicContact CB-CE1 3.77Å; N327-F346 HydrophobicContact CB-CE2 4.36Å; N327-F346 HydrophobicContact CB-CG 4.1Å; N327-F346 HydrophobicContact CB-CZ 4.06Å; N327-F346 VanDerWaalsContact CG-CE1 3.49Å; N327-F346 WeakPolarHBondContact ND2-CD1 3.45Å; N327-F346 WeakPolarHBondContact ND2-CE1 3.42Å; C342-F346 WeakPolarHBondContact CB-O 3.37Å; P343-F346 HydrophobicContact CG-CD2 4.25Å; P343-F346 PolarHBondContact O-N 2.85Å; F346-C351 HydrophobicContact CB-CB 4.45Å; F346-H353 CarbonylContact C-O 3.34Å; F346-H353 WeakPolarHBondContact CA-O 3.4Å; F346-R354 HydrophobicContact CD1-CB 4.33Å; F346-R354 HydrophobicContact CE1-CB 4.18Å |
| 347 | E | 82.3 | Confident | 81.3 | Confident | 100 Ų | 100 | 62 Ų | 62 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 173.1 | 177.9 | 69.2 | 178.9 | -177.3 | 0 | 0 | 110.9 | C351 E352 H353 I355 | E347-C351 CarbonylContact O-C 3.49Å; E347-E352 PolarHBondContact O-N 2.94Å; E347-H353 HydrophobicContact CG-CB 3.93Å; E347-H353 PolarHBondContact N-O 3.31Å; E347-H353 WeakPolarHBondContact O-CB 3.42Å; E347-H353 PolarHBondContact O-N 3.21Å; E347-I355 HydrophobicContact CB-CD1 4.21Å; E347-I355 HydrophobicContact CB-CG1 3.95Å; E347-I355 HydrophobicContact CG-CG1 3.86Å |
| 348 | G | 83.2 | Confident | 81.6 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 104 | 160.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C342 H350 C351 | C342-G348 PolarHBondContact SG-O 2.05Å; G348-H350 PolarHBondContact O-N 2.98Å; G348-C351 PolarHBondContact O-N 3.13Å; G348-C351 VanDerWaalsContact O-N 3.15Å |
| 349 | P | 82.5 | Confident | 81.5 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.4 | -178 | 24.8 | -35.1 | 0 | 0 | 0 | 113.9 | C340 E352 | C340-P349 VanDerWaalsContact CB-O 3.3Å; C340-P349 WeakPolarHBondContact CB-O 3.44Å; C340-P349 PolarHBondContact SG-O 3.31Å; P349-E352 WeakPolarHBondContact CD-OE1 3.26Å |
| 350 | H | 85.8 | Confident | 81.2 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 26% | 0.264 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 13.6 | 176.9 | -52.3 | -63.5 | 0 | 0 | 0 | 112.5 | H326 Y338 G348 E352 | H326-H350 WeakPolarHBondContact CB-O 3.39Å; H326-H350 PolarHBondContact N-O 2.95Å; Y338-H350 AromaticContact CE2-CE1 3.63Å; Y338-H350 AromaticContact CE2-ND1 3.63Å; Y338-H350 AromaticContact CZ-CE1 3.62Å; Y338-H350 AromaticContact CZ-ND1 3.98Å; Y338-H350 PolarHBondContact OH-CE1 2.02Å; Y338-H350 PolarHBondContact OH-ND1 3.41Å; G348-H350 PolarHBondContact O-N 2.98Å; H350-E352 WeakPolarHBondContact CA-OE2 3.37Å; H350-E352 WeakPolarHBondContact CB-OE2 3.23Å; H350-E352 PolarHBondContact N-OE2 2.88Å; H350-E352 PolarHBondContact O-N 2.98Å |
| 351 | C | 88.6 | Confident | 81 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 58.6 | 30.5 | -175.7 | -44.9 | 0 | 0 | 0 | 0 | 113.5 | N327 C342 F346 E347 G348 | N327-C351 PolarHBondContact ND2-O 3.13Å; C342-C351 WeakPolarHBondContact CA-SG 3.22Å; C342-C351 HydrophobicContact CB-CB 3.66Å; C342-C351 WeakPolarHBondContact CB-SG 3.43Å; C342-C351 WeakPolarHBondContact SG-CA 3.19Å; C342-C351 WeakPolarHBondContact SG-CB 3.28Å; C342-C351 CovalentContact SG-SG 2.04Å; C342-C351 PolarHBondContact SG-SG 2.84Å; F346-C351 HydrophobicContact CB-CB 4.45Å; E347-C351 CarbonylContact O-C 3.49Å; G348-C351 PolarHBondContact O-N 3.13Å; G348-C351 VanDerWaalsContact O-N 3.15Å |
| 352 | E | 86.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | trans | -81.5 | -25.7 | -172.5 | 68.8 | -85.2 | -154.8 | 0 | 0 | 113.1 | E347 P349 H350 | E347-E352 PolarHBondContact O-N 2.94Å; P349-E352 WeakPolarHBondContact CD-OE1 3.26Å; H350-E352 WeakPolarHBondContact CA-OE2 3.37Å; H350-E352 WeakPolarHBondContact CB-OE2 3.23Å; H350-E352 PolarHBondContact N-OE2 2.88Å; H350-E352 PolarHBondContact O-N 2.98Å | ||
| 353 | H | 80.1 | Confident | 80.9 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.1 | -176 | -58 | 144.7 | 0 | 0 | 0 | 111.1 | F346 E347 | F346-H353 CarbonylContact C-O 3.34Å; F346-H353 WeakPolarHBondContact CA-O 3.4Å; E347-H353 HydrophobicContact CG-CB 3.93Å; E347-H353 PolarHBondContact N-O 3.31Å; E347-H353 WeakPolarHBondContact O-CB 3.42Å; E347-H353 PolarHBondContact O-N 3.21Å |
| 354 | R | 77.3 | Confident | 81.1 | Confident | 149 Ų | 149 | 69.9 Ų | 69.9 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.6 | 170.5 | -176.3 | -179.2 | 178.7 | -101.9 | 1 | 109.1 | G345 F346 P356 D360 | G345-R354 CarbonylContact O-C 3.57Å; G345-R354 WeakPolarHBondContact O-CA 3.07Å; F346-R354 HydrophobicContact CD1-CB 4.33Å; F346-R354 HydrophobicContact CE1-CB 4.18Å; R354-P356 WeakPolarHBondContact O-CD 3.03Å; R354-D360 IonicContact NH1-OD1 2.84Å; R354-D360 IonicContact NH1-OD2 3.97Å; R354-D360 PolarHBondContact NH1-OD2 2.95Å; R354-D360 VanDerWaalsContact NH1-OD2 3.13Å |
| 355 | I | 76.1 | Confident | 81.5 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 121.1 | 176 | -58.9 | 172.9 | 0 | 0 | 0 | 108.3 | G345 E347 | G345-I355 PolarHBondContact O-N 2.87Å; E347-I355 HydrophobicContact CB-CD1 4.21Å; E347-I355 HydrophobicContact CB-CG1 3.95Å; E347-I355 HydrophobicContact CG-CG1 3.86Å |
| 356 | P | 70.8 | Confident | 81.7 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 31% | 0.312 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 144.2 | -179.7 | 15.2 | -14 | 0 | 0 | 0 | 111.8 | R354 D360 Y378 | R354-P356 WeakPolarHBondContact O-CD 3.03Å; P356-D360 WeakPolarHBondContact CA-OD2 3.43Å; P356-D360 HydrophobicContact CB-CB 4.38Å; P356-Y378 HydrophobicContact CB-CE1 4.47Å; P356-Y378 HydrophobicContact CG-CE1 4.09Å; P356-Y378 WeakPolarHBondContact O-CD1 3.25Å |
| 357 | T | 77.4 | Confident | 81.9 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 20% | 0.202 | 37% | 0.371 | C | S | . | . | trans | -111.8 | 173.7 | 176.3 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | A359 D360 P362 | T357-A359 PolarHBondContact O-N 2.86Å; T357-A359 VanDerWaalsContact O-N 3.13Å; T357-D360 PolarHBondContact N-OD2 3.25Å; T357-D360 WeakPolarHBondContact O-CB 3.39Å; T357-D360 PolarHBondContact O-N 3.34Å; T357-P362 WeakPolarHBondContact O-CD 2.98Å | ||
| 358 | C | 77.8 | Confident | 82.2 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -63.3 | -19.2 | 177.7 | -78.3 | 0 | 0 | 0 | 0 | 113.4 | D360 R361 C369 K370 E371 | C358-D360 PolarHBondContact O-N 3.35Å; C358-R361 PolarHBondContact O-N 3.2Å; C358-R361 VanDerWaalsContact O-N 3.16Å; C358-C369 WeakPolarHBondContact CA-SG 3.29Å; C358-C369 HydrophobicContact CB-CB 3.88Å; C358-C369 WeakPolarHBondContact CB-SG 3.34Å; C358-C369 VanDerWaalsContact SG-C 3.54Å; C358-C369 WeakPolarHBondContact SG-CB 3.43Å; C358-C369 CovalentContact SG-SG 2.05Å; C358-C369 PolarHBondContact SG-SG 3.21Å; C358-K370 PolarHBondContact SG-N 3.26Å; C358-E371 HydrophobicContact CB-CG 3.71Å |
| 359 | A | 77.9 | Confident | 82.5 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 65% | 0.653 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -62 | -30.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | T357 R361 | T357-A359 PolarHBondContact O-N 2.86Å; T357-A359 VanDerWaalsContact O-N 3.13Å; A359-R361 PolarHBondContact O-N 2.79Å |
| 360 | D | 78.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -80.2 | 0.7 | 179.4 | -56.2 | -45.2 | 0 | 0 | 0 | 112.4 | R354 P356 T357 C358 | R354-D360 IonicContact NH1-OD1 2.84Å; R354-D360 IonicContact NH1-OD2 3.97Å; R354-D360 PolarHBondContact NH1-OD2 2.95Å; R354-D360 VanDerWaalsContact NH1-OD2 3.13Å; P356-D360 WeakPolarHBondContact CA-OD2 3.43Å; P356-D360 HydrophobicContact CB-CB 4.38Å; T357-D360 PolarHBondContact N-OD2 3.25Å; T357-D360 WeakPolarHBondContact O-CB 3.39Å; T357-D360 PolarHBondContact O-N 3.34Å; C358-D360 PolarHBondContact O-N 3.35Å |
| 361 | R | 82.6 | Confident | 82.4 | Confident | 209 Ų | 209 | 73.4 Ų | 73.4 | 79% | 0.789 | 38% | 0.379 | S | S | * | . | trans | 51.2 | 56.6 | 179.2 | -56.9 | 172.9 | 64.1 | 107.5 | 0.9 | 113.5 | C358 A359 C363 | C358-R361 PolarHBondContact O-N 3.2Å; C358-R361 VanDerWaalsContact O-N 3.16Å; A359-R361 PolarHBondContact O-N 2.79Å; R361-C363 VanDerWaalsContact C-N 3.27Å; R361-C363 PolarHBondContact O-N 3.45Å | ||
| 362 | P | 85 | Confident | 81.6 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | trans | -71.6 | -17 | -173.2 | 29.9 | -36.4 | 0 | 0 | 0 | 114.2 | T357 Y378 N390 | T357-P362 WeakPolarHBondContact O-CD 2.98Å; P362-Y378 HydrophobicContact CB-CD2 4.01Å; P362-Y378 HydrophobicContact CB-CE1 4.09Å; P362-Y378 HydrophobicContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CZ 3.48Å; P362-Y378 HydrophobicContact CG-CD1 4.1Å; P362-Y378 HydrophobicContact CG-CD2 3.37Å; P362-Y378 HydrophobicContact CG-CE1 4.11Å; P362-Y378 HydrophobicContact CG-CE2 3.37Å; P362-Y378 HydrophobicContact CG-CG 3.76Å; P362-N390 WeakPolarHBondContact O-CB 3.46Å | ||
| 363 | C | 88.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 79.6 Ų | 79.6 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | trans | -86.1 | 118.2 | -178.8 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | R361 G367 C369 C380 | R361-C363 VanDerWaalsContact C-N 3.27Å; R361-C363 PolarHBondContact O-N 3.45Å; C363-G367 WeakPolarHBondContact CB-O 3.46Å; C363-C369 HydrophobicContact CB-CB 4.47Å; C363-C369 WeakPolarHBondContact SG-CA 3.34Å; C363-C369 WeakPolarHBondContact SG-CB 3.44Å; C363-C380 WeakPolarHBondContact CA-SG 3.45Å; C363-C380 HydrophobicContact CB-CB 3.7Å; C363-C380 WeakPolarHBondContact CB-SG 3.49Å; C363-C380 WeakPolarHBondContact SG-CA 3.38Å; C363-C380 WeakPolarHBondContact SG-CB 3.34Å; C363-C380 CovalentContact SG-SG 2.02Å; C363-C380 PolarHBondContact SG-SG 3.26Å | ||
| 364 | F | 86.6 | Confident | 80 | Confident | 104 Ų | 104 | 83.2 Ų | 83.2 | 46% | 0.456 | 43% | 0.434 | S | S | . | . | trans | -83.4 | 169.6 | -178.2 | -60.3 | -72.6 | 0 | 0 | 0 | 113.2 | G366 G367 N390 E392 | F364-G366 PolarHBondContact O-N 3.43Å; F364-G367 PolarHBondContact O-N 2.94Å; F364-N390 WeakPolarHBondContact CB-O 3.46Å; F364-N390 HydrophobicContact CD2-CB 3.72Å; F364-N390 WeakPolarHBondContact CD2-O 3.41Å; F364-N390 HydrophobicContact CE2-CB 3.94Å; F364-N390 PolarHBondContact N-O 3.46Å; F364-E392 HydrophobicContact CD2-CB 4.07Å | ||
| 365 | Q | 85.4 | Confident | 79.4 | Confident | 101 Ų | 101 | 77.3 Ų | 77.3 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 29 | 176.8 | -69.2 | 74 | 40.9 | 0 | 0 | 115.1 | P383 Y386 C391 | Q365-P383 WeakPolarHBondContact O-CG 3.31Å; Q365-Y386 HydrophobicContact CB-CD1 4.31Å; Q365-Y386 HydrophobicContact CB-CE1 4.29Å; Q365-Y386 HydrophobicContact CB-CE2 4.48Å; Q365-Y386 HydrophobicContact CB-CG 4.44Å; Q365-Y386 HydrophobicContact CG-CD1 4.11Å; Q365-Y386 HydrophobicContact CG-CE1 3.75Å; Q365-C391 PolarHBondContact OE1-O 3.43Å |
| 366 | G | 80.4 | Confident | 78.9 | Confident | 76 Ų | 76 | 83 Ų | 83 | 78% | 0.784 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 17.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F364 | F364-G366 PolarHBondContact O-N 3.43Š|
| 367 | G | 86.9 | Confident | 78.9 | Confident | 13 Ų | 13 | 82.2 Ų | 82.2 | 13% | 0.134 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -59 | 144.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C363 F364 E381 | C363-G367 WeakPolarHBondContact CB-O 3.46Å; F364-G367 PolarHBondContact O-N 2.94Å; G367-E381 CarbonylContact C-O 3.58Å; G367-E381 VanDerWaalsContact CA-O 3.3Å; G367-E381 WeakPolarHBondContact CA-O 3.25Å |
| 368 | K | 88.6 | Confident | 79.2 | Confident | 141 Ų | 141 | 82.9 Ų | 82.9 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.3 | -177.6 | -163.7 | 178.9 | -177 | -180 | 0 | 109.5 | E381 | K368-E381 HydrophobicContact CB-CB 4.28Å; K368-E381 PolarHBondContact N-O 3.34Å; K368-E381 PolarHBondContact O-N 3.2Å |
| 369 | C | 88 | Confident | 79.5 | Confident | 37 Ų | 37 | 85.5 Ų | 85.5 | 25% | 0.25 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.2 | 177.3 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | C358 C363 | C358-C369 WeakPolarHBondContact CA-SG 3.29Å; C358-C369 HydrophobicContact CB-CB 3.88Å; C358-C369 WeakPolarHBondContact CB-SG 3.34Å; C358-C369 VanDerWaalsContact SG-C 3.54Å; C358-C369 WeakPolarHBondContact SG-CB 3.43Å; C358-C369 CovalentContact SG-SG 2.05Å; C358-C369 PolarHBondContact SG-SG 3.21Å; C363-C369 HydrophobicContact CB-CB 4.47Å; C363-C369 WeakPolarHBondContact SG-CA 3.34Å; C363-C369 WeakPolarHBondContact SG-CB 3.44Å |
| 370 | K | 84.5 | Confident | 80.1 | Confident | 92 Ų | 92 | 82.5 Ų | 82.5 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.5 | 169.2 | -69.1 | 179.8 | 177.2 | 173.9 | 0 | 109.6 | C358 Y378 I379 E381 | C358-K370 PolarHBondContact SG-N 3.26Å; K370-Y378 CarbonylContact O-C 3.38Å; K370-Y378 WeakPolarHBondContact O-CA 3.36Å; K370-I379 HydrophobicContact CB-CG2 3.9Å; K370-I379 PolarHBondContact N-O 3Å; K370-I379 PolarHBondContact O-N 3.07Å; K370-E381 VanDerWaalsContact CE-CD 3.5Å; K370-E381 VanDerWaalsContact CE-OE1 3.3Å; K370-E381 WeakPolarHBondContact CE-OE1 3.29Å; K370-E381 VanDerWaalsContact CE-OE2 3.29Å; K370-E381 WeakPolarHBondContact CE-OE2 3.17Å; K370-E381 VanDerWaalsContact NZ-CD 3.29Å; K370-E381 IonicContact NZ-OE1 2.64Å; K370-E381 PolarHBondContact NZ-OE1 3.48Å; K370-E381 IonicContact NZ-OE2 3.31Å; K370-E381 PolarHBondContact NZ-OE2 3.19Å |
| 371 | E | 81.9 | Confident | 80.6 | Confident | 113 Ų | 113 | 83 Ų | 83 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.9 | 172.2 | -64.7 | -169.6 | 164.1 | 0 | 0 | 110.2 | C358 | C358-E371 HydrophobicContact CB-CG 3.71Å |
| 372 | Q | 71.8 | Confident | 80.8 | Confident | 91 Ų | 91 | 75.2 Ų | 75.2 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 158 | 179.9 | -174.9 | 166.8 | 5.6 | 0 | 0 | 108.8 | N374 G375 R376 S377 | Q372-N374 PolarHBondContact O-N 3Å; Q372-G375 PolarHBondContact O-N 3.44Å; Q372-G375 VanDerWaalsContact O-N 3.13Å; Q372-R376 PolarHBondContact O-N 3.19Å; Q372-S377 VanDerWaalsContact C-OG 3.3Å; Q372-S377 VanDerWaalsContact CB-OG 3.28Å; Q372-S377 WeakPolarHBondContact CB-OG 3.39Å; Q372-S377 PolarHBondContact N-O 3.21Å; Q372-S377 PolarHBondContact O-N 2.03Å; Q372-S377 VanDerWaalsContact O-N 3.12Å; Q372-S377 VanDerWaalsContact O-O 3.09Å; Q372-S377 PolarHBondContact O-OG 3.26Å |
| 373 | D | 69.6 | Low | 80.7 | Confident | 104 Ų | 104 | 76.7 Ų | 76.7 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | 52.4 | 47.5 | -180 | -52.7 | -42.3 | 0 | 0 | 0 | 115.2 | G375 R376 S377 | D373-G375 VanDerWaalsContact C-N 3.3Å; D373-G375 PolarHBondContact O-N 3.49Å; D373-R376 HydrophobicContact CB-CB 4.07Å; D373-R376 VanDerWaalsContact O-CB 3.25Å; D373-R376 WeakPolarHBondContact O-CB 3.4Å; D373-R376 WeakPolarHBondContact O-CG 3.25Å; D373-R376 PolarHBondContact O-N 2.92Å; D373-S377 PolarHBondContact OD2-OG 3.43Å |
| 374 | N | 64.9 | Low | 80.3 | Confident | 178 Ų | 178 | 81.1 Ų | 81.1 | 95% | 0.952 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | 55.8 | 38.9 | -177.5 | -66.6 | -7.7 | 0 | 0 | 0 | 113.7 | Q372 | Q372-N374 PolarHBondContact O-N 3Š|
| 375 | G | 63 | Low | 79.8 | Confident | 26 Ų | 26 | 77.9 Ų | 77.9 | 27% | 0.268 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | 83.4 | 12.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q372 D373 | Q372-G375 PolarHBondContact O-N 3.44Å; Q372-G375 VanDerWaalsContact O-N 3.13Å; D373-G375 VanDerWaalsContact C-N 3.3Å; D373-G375 PolarHBondContact O-N 3.49Å |
| 376 | R | 65.3 | Low | 79.7 | Confident | 161 Ų | 161 | 77.2 Ų | 77.2 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -12.2 | 175 | -66.9 | 176.1 | 159.4 | 174.1 | -7.4 | 113.4 | N344 Q372 D373 | N344-R376 PolarHBondContact OD1-NH2 2.83Å; Q372-R376 PolarHBondContact O-N 3.19Å; D373-R376 HydrophobicContact CB-CB 4.07Å; D373-R376 VanDerWaalsContact O-CB 3.25Å; D373-R376 WeakPolarHBondContact O-CB 3.4Å; D373-R376 WeakPolarHBondContact O-CG 3.25Å; D373-R376 PolarHBondContact O-N 2.92Å |
| 377 | S | 71.8 | Confident | 79.7 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 166.7 | 175.8 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | Q372 D373 | Q372-S377 VanDerWaalsContact C-OG 3.3Å; Q372-S377 VanDerWaalsContact CB-OG 3.28Å; Q372-S377 WeakPolarHBondContact CB-OG 3.39Å; Q372-S377 PolarHBondContact N-O 3.21Å; Q372-S377 PolarHBondContact O-N 2.03Å; Q372-S377 VanDerWaalsContact O-N 3.12Å; Q372-S377 VanDerWaalsContact O-O 3.09Å; Q372-S377 PolarHBondContact O-OG 3.26Å; D373-S377 PolarHBondContact OD2-OG 3.43Å |
| 378 | Y | 83.6 | Confident | 79.5 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 18% | 0.18 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156.4 | 173.6 | 72.3 | -87.1 | 0 | 0 | 0 | 110.5 | P356 P362 K370 N390 | P356-Y378 HydrophobicContact CB-CE1 4.47Å; P356-Y378 HydrophobicContact CG-CE1 4.09Å; P356-Y378 WeakPolarHBondContact O-CD1 3.25Å; P362-Y378 HydrophobicContact CB-CD2 4.01Å; P362-Y378 HydrophobicContact CB-CE1 4.09Å; P362-Y378 HydrophobicContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CE2 3.43Å; P362-Y378 VanDerWaalsContact CB-CZ 3.48Å; P362-Y378 HydrophobicContact CG-CD1 4.1Å; P362-Y378 HydrophobicContact CG-CD2 3.37Å; P362-Y378 HydrophobicContact CG-CE1 4.11Å; P362-Y378 HydrophobicContact CG-CE2 3.37Å; P362-Y378 HydrophobicContact CG-CG 3.76Å; K370-Y378 CarbonylContact O-C 3.38Å; K370-Y378 WeakPolarHBondContact O-CA 3.36Å; Y378-N390 VanDerWaalsContact CE2-OD1 3.25Å; Y378-N390 WeakPolarHBondContact CE2-OD1 3.21Å; Y378-N390 PolarHBondContact OH-ND2 3.33Å; Y378-N390 PolarHBondContact OH-OD1 2.96Å |
| 379 | I | 85.3 | Confident | 79.2 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 42% | 0.415 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.6 | 172.8 | -167.9 | 167.7 | 0 | 0 | 0 | 110.3 | K370 | K370-I379 HydrophobicContact CB-CG2 3.9Å; K370-I379 PolarHBondContact N-O 3Å; K370-I379 PolarHBondContact O-N 3.07Å |
| 380 | C | 88.5 | Confident | 79.2 | Confident | 15 Ų | 15 | 77 Ų | 77 | 10% | 0.101 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.6 | 179.1 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | C363 L389 | C363-C380 WeakPolarHBondContact CA-SG 3.45Å; C363-C380 HydrophobicContact CB-CB 3.7Å; C363-C380 WeakPolarHBondContact CB-SG 3.49Å; C363-C380 WeakPolarHBondContact SG-CA 3.38Å; C363-C380 WeakPolarHBondContact SG-CB 3.34Å; C363-C380 CovalentContact SG-SG 2.02Å; C363-C380 PolarHBondContact SG-SG 3.26Å; C380-L389 WeakPolarHBondContact CB-O 3.44Å |
| 381 | E | 89.4 | Confident | 79.4 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 110.9 | 169.5 | -64.1 | -178.5 | 154.9 | 0 | 0 | 109.6 | G367 K368 K370 | G367-E381 CarbonylContact C-O 3.58Å; G367-E381 VanDerWaalsContact CA-O 3.3Å; G367-E381 WeakPolarHBondContact CA-O 3.25Å; K368-E381 HydrophobicContact CB-CB 4.28Å; K368-E381 PolarHBondContact N-O 3.34Å; K368-E381 PolarHBondContact O-N 3.2Å; K370-E381 VanDerWaalsContact CE-CD 3.5Å; K370-E381 VanDerWaalsContact CE-OE1 3.3Å; K370-E381 WeakPolarHBondContact CE-OE1 3.29Å; K370-E381 VanDerWaalsContact CE-OE2 3.29Å; K370-E381 WeakPolarHBondContact CE-OE2 3.17Å; K370-E381 VanDerWaalsContact NZ-CD 3.29Å; K370-E381 IonicContact NZ-OE1 2.64Å; K370-E381 PolarHBondContact NZ-OE1 3.48Å; K370-E381 IonicContact NZ-OE2 3.31Å; K370-E381 PolarHBondContact NZ-OE2 3.19Å |
| 382 | C | 86.9 | Confident | 79.5 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 140.5 | -171 | -56 | 0 | 0 | 0 | 0 | 114.1 | C391 | C382-C391 WeakPolarHBondContact CA-SG 3.41Å; C382-C391 HydrophobicContact CB-CB 3.66Å; C382-C391 WeakPolarHBondContact CB-SG 2.99Å; C382-C391 WeakPolarHBondContact SG-CA 3.33Å; C382-C391 WeakPolarHBondContact SG-CB 3.3Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.95Å |
| 383 | P | 84.7 | Confident | 79.9 | Confident | 45 Ų | 45 | 73 Ų | 73 | 29% | 0.292 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -71 | 158.5 | 176.5 | 26.5 | -29.6 | 0 | 0 | 0 | 112.1 | Q365 G385 Y386 | Q365-P383 WeakPolarHBondContact O-CG 3.31Å; P383-G385 PolarHBondContact O-N 3.17Å; P383-Y386 HydrophobicContact CG-CD2 4.24Å; P383-Y386 PolarHBondContact O-N 3.04Å |
| 384 | A | 79.4 | Confident | 80.2 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 91% | 0.909 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 125.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 385 | G | 75.4 | Confident | 80.4 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 37% | 0.371 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 2.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P383 K394 V395 | P383-G385 PolarHBondContact O-N 3.17Å; G385-K394 CarbonylContact O-C 3.58Å; G385-K394 WeakPolarHBondContact O-CA 3.37Å; G385-V395 VanDerWaalsContact C-CG2 3.48Å; G385-V395 PolarHBondContact O-N 3.22Å |
| 386 | Y | 82.9 | Confident | 80.4 | Confident | 87 Ų | 87 | 74.8 Ų | 74.8 | 34% | 0.341 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.3 | 171.5 | -65.6 | -91.5 | 0 | 0 | 0 | 112.4 | Q365 P383 K393 K394 | Q365-Y386 HydrophobicContact CB-CD1 4.31Å; Q365-Y386 HydrophobicContact CB-CE1 4.29Å; Q365-Y386 HydrophobicContact CB-CE2 4.48Å; Q365-Y386 HydrophobicContact CB-CG 4.44Å; Q365-Y386 HydrophobicContact CG-CD1 4.11Å; Q365-Y386 HydrophobicContact CG-CE1 3.75Å; P383-Y386 HydrophobicContact CG-CD2 4.24Å; P383-Y386 PolarHBondContact O-N 3.04Å; Y386-K393 CarbonylContact C-O 3.58Å; Y386-K393 WeakPolarHBondContact CA-O 3.44Å; Y386-K394 HydrophobicContact CD1-CB 4.41Å; Y386-K394 HydrophobicContact CE1-CB 4.26Å; Y386-K394 HydrophobicContact CE1-CG 4.36Å |
| 387 | T | 81.4 | Confident | 80.1 | Confident | 76 Ų | 76 | 75 Ų | 75 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 178.6 | -178.1 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | C391 E392 K393 V395 | T387-C391 CarbonylContact O-C 3.35Å; T387-C391 WeakPolarHBondContact O-CA 3.21Å; T387-E392 PolarHBondContact O-N 3.46Å; T387-K393 HydrophobicContact CG2-CB 3.86Å; T387-K393 PolarHBondContact N-O 2.89Å; T387-K393 WeakPolarHBondContact O-CA 3Å; T387-K393 WeakPolarHBondContact O-CB 3.18Å; T387-K393 PolarHBondContact O-N 2.96Å; T387-V395 HydrophobicContact CG2-CG2 4.34Å |
| 388 | G | 81.7 | Confident | 79.8 | Confident | 26 Ų | 26 | 75.3 Ų | 75.3 | 27% | 0.268 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 103.5 | 164.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N390 C391 | G388-N390 PolarHBondContact O-N 3.4Å; G388-C391 PolarHBondContact O-N 2.9Å |
| 389 | L | 84 | Confident | 78.9 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 67% | 0.665 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -34.2 | -176.4 | -176.6 | 67.4 | 0 | 0 | 0 | 111.3 | C380 E392 | C380-L389 WeakPolarHBondContact CB-O 3.44Å; L389-E392 PolarHBondContact N-OE2 3.45Å |
| 390 | N | 87.4 | Confident | 77.8 | Confident | 32 Ų | 32 | 78.9 Ų | 78.9 | 17% | 0.171 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 17.6 | -177.9 | -66.2 | -12.6 | 0 | 0 | 0 | 111.8 | P362 F364 Y378 G388 E392 | P362-N390 WeakPolarHBondContact O-CB 3.46Å; F364-N390 WeakPolarHBondContact CB-O 3.46Å; F364-N390 HydrophobicContact CD2-CB 3.72Å; F364-N390 WeakPolarHBondContact CD2-O 3.41Å; F364-N390 HydrophobicContact CE2-CB 3.94Å; F364-N390 PolarHBondContact N-O 3.46Å; Y378-N390 VanDerWaalsContact CE2-OD1 3.25Å; Y378-N390 WeakPolarHBondContact CE2-OD1 3.21Å; Y378-N390 PolarHBondContact OH-ND2 3.33Å; Y378-N390 PolarHBondContact OH-OD1 2.96Å; G388-N390 PolarHBondContact O-N 3.4Å; N390-E392 VanDerWaalsContact C-OE2 3.28Å; N390-E392 WeakPolarHBondContact CA-OE2 3.33Å; N390-E392 PolarHBondContact N-OE2 3.36Å; N390-E392 PolarHBondContact O-N 3.39Å |
| 391 | C | 87.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 45% | 0.452 | C | S | . | . | S | Bend | trans | 65.1 | 21.6 | -178.2 | -46.2 | 0 | 0 | 0 | 0 | 115.4 | Q365 C382 T387 G388 K393 | Q365-C391 PolarHBondContact OE1-O 3.43Å; C382-C391 WeakPolarHBondContact CA-SG 3.41Å; C382-C391 HydrophobicContact CB-CB 3.66Å; C382-C391 WeakPolarHBondContact CB-SG 2.99Å; C382-C391 WeakPolarHBondContact SG-CA 3.33Å; C382-C391 WeakPolarHBondContact SG-CB 3.3Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.95Å; T387-C391 CarbonylContact O-C 3.35Å; T387-C391 WeakPolarHBondContact O-CA 3.21Å; G388-C391 PolarHBondContact O-N 2.9Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.89Å |
| 392 | E | 85.4 | Confident | 76.2 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | trans | -76.5 | -15 | -172.8 | 72.9 | -71.4 | 169.6 | 0 | 0 | 114.6 | F364 T387 L389 N390 | F364-E392 HydrophobicContact CD2-CB 4.07Å; T387-E392 PolarHBondContact O-N 3.46Å; L389-E392 PolarHBondContact N-OE2 3.45Å; N390-E392 VanDerWaalsContact C-OE2 3.28Å; N390-E392 WeakPolarHBondContact CA-OE2 3.33Å; N390-E392 PolarHBondContact N-OE2 3.36Å; N390-E392 PolarHBondContact O-N 3.39Å | ||
| 393 | K | 79.4 | Confident | 75.8 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.8 | -174.1 | -55.9 | -177.9 | -177.8 | 176.3 | 0 | 111.3 | Y386 T387 C391 | Y386-K393 CarbonylContact C-O 3.58Å; Y386-K393 WeakPolarHBondContact CA-O 3.44Å; T387-K393 HydrophobicContact CG2-CB 3.86Å; T387-K393 PolarHBondContact N-O 2.89Å; T387-K393 WeakPolarHBondContact O-CA 3Å; T387-K393 WeakPolarHBondContact O-CB 3.18Å; T387-K393 PolarHBondContact O-N 2.96Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.89Å |
| 394 | K | 75.4 | Confident | 75.6 | Confident | 159 Ų | 159 | 82.4 Ų | 82.4 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.4 | 172.3 | -164.5 | 175.5 | -176.8 | 177.6 | 0 | 110.3 | G385 Y386 D396 | G385-K394 CarbonylContact O-C 3.58Å; G385-K394 WeakPolarHBondContact O-CA 3.37Å; Y386-K394 HydrophobicContact CD1-CB 4.41Å; Y386-K394 HydrophobicContact CE1-CB 4.26Å; Y386-K394 HydrophobicContact CE1-CG 4.36Å; K394-D396 PolarHBondContact O-N 2.75Å |
| 395 | V | 70.3 | Confident | 75.5 | Confident | 78 Ų | 78 | 80.9 Ų | 80.9 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 117.6 | 178.3 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | G385 T387 | G385-V395 VanDerWaalsContact C-CG2 3.48Å; G385-V395 PolarHBondContact O-N 3.22Å; T387-V395 HydrophobicContact CG2-CG2 4.34Å |
| 396 | D | 63.4 | Low | 75.4 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 58% | 0.583 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -79 | 133.7 | 176.9 | -169 | -11.5 | 0 | 0 | 0 | 111.3 | K394 C398 T399 | K394-D396 PolarHBondContact O-N 2.75Å; D396-C398 PolarHBondContact OD1-N 3.41Å; D396-C398 VanDerWaalsContact OD1-N 3.08Å; D396-T399 PolarHBondContact O-OG1 3.39Å |
| 397 | K | 58.5 | Low | 75.2 | Confident | 165 Ų | 165 | 79 Ų | 79 | 72% | 0.717 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -89.6 | -8.8 | -175 | -66.5 | -179.5 | -179.9 | -179.5 | 0 | 113.6 | ||
| 398 | C | 65.6 | Low | 75.2 | Confident | 38 Ų | 38 | 82 Ų | 82 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -90.8 | -8.5 | -179.8 | -74 | 0 | 0 | 0 | 0 | 114.3 | D396 S400 L401 C409 | D396-C398 PolarHBondContact OD1-N 3.41Å; D396-C398 VanDerWaalsContact OD1-N 3.08Å; C398-S400 PolarHBondContact O-N 2.89Å; C398-L401 PolarHBondContact O-N 2.99Å; C398-C409 HydrophobicContact CB-CB 4.5Å |
| 399 | T | 64.9 | Low | 75 | Confident | 114 Ų | 114 | 81.8 Ų | 81.8 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.3 | -173.4 | -32.6 | 0 | 0 | 0 | 0 | 114.5 | D396 | D396-T399 PolarHBondContact O-OG1 3.39Š|
| 400 | S | 62 | Low | 74.6 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -9.1 | -175.1 | 55 | 0 | 0 | 0 | 0 | 115.8 | C398 R416 | C398-S400 PolarHBondContact O-N 2.89Å; S400-R416 PolarHBondContact OG-NH1 3.32Å; S400-R416 VanDerWaalsContact OG-NH1 3.12Å |
| 401 | L | 69.3 | Low | 73.8 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | trans | -116.8 | 107.6 | 178.1 | -173 | 72.7 | 0 | 0 | 0 | 110.3 | C398 R416 | C398-L401 PolarHBondContact O-N 2.99Å; L401-R416 HydrophobicContact CD2-CB 3.96Å | ||
| 402 | Q | 74.1 | Confident | 72.9 | Confident | 147 Ų | 147 | 87.1 Ų | 87.1 | 69% | 0.687 | 48% | 0.475 | S | S | * | . | trans | -91.8 | 108.3 | 178.1 | -65.8 | -179 | -2.5 | 0 | 0 | 110.8 | R428 | Q402-R428 VanDerWaalsContact O-CZ 3.3Å; Q402-R428 PolarHBondContact O-NE 3.21Å; Q402-R428 PolarHBondContact O-NH2 3.47Å | ||
| 403 | C | 79.4 | Confident | 72.2 | Confident | 26 Ų | 26 | 86.3 Ų | 86.3 | 18% | 0.176 | 49% | 0.489 | C | S | . | . | trans | -73.6 | 133.7 | 168.4 | -53 | 0 | 0 | 0 | 0 | 109.5 | G407 C418 | C403-G407 VanDerWaalsContact CB-O 3.25Å; C403-G407 WeakPolarHBondContact CB-O 3.49Å; C403-C418 WeakPolarHBondContact CA-SG 3.37Å; C403-C418 HydrophobicContact CB-CB 3.76Å; C403-C418 WeakPolarHBondContact CB-SG 3.48Å; C403-C418 WeakPolarHBondContact SG-CA 3.49Å; C403-C418 WeakPolarHBondContact SG-CB 3.14Å; C403-C418 CovalentContact SG-SG 2.03Å; C403-C418 PolarHBondContact SG-SG 2.88Å | ||
| 404 | V | 81.1 | Confident | 71.4 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 29% | 0.291 | 51% | 0.507 | S | S | . | . | trans | -100 | 173.3 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 111 | G406 G407 R428 E430 | V404-G406 PolarHBondContact O-N 3.27Å; V404-G407 PolarHBondContact O-N 2.76Å; V404-R428 HydrophobicContact CG2-CB 4.36Å; V404-R428 WeakPolarHBondContact CG2-O 3.39Å; V404-R428 PolarHBondContact N-O 3.31Å; V404-E430 HydrophobicContact CG2-CB 3.91Å | ||
| 405 | N | 77.6 | Confident | 70.8 | Confident | 78 Ų | 78 | 87 Ų | 87 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 31.7 | 178.5 | -58.4 | -36.4 | 0 | 0 | 0 | 114.9 | F424 C429 | N405-F424 HydrophobicContact CB-CD1 3.87Å; N405-F424 HydrophobicContact CB-CD2 4.18Å; N405-F424 HydrophobicContact CB-CE1 3.88Å; N405-F424 HydrophobicContact CB-CE2 4.18Å; N405-F424 HydrophobicContact CB-CG 4.03Å; N405-F424 HydrophobicContact CB-CZ 4.03Å; N405-C429 WeakPolarHBondContact CB-O 3.47Å; N405-C429 PolarHBondContact ND2-O 3.48Å |
| 406 | G | 71.6 | Confident | 70.9 | Confident | 67 Ų | 67 | 90.1 Ų | 90.1 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 18.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | V404 | V404-G406 PolarHBondContact O-N 3.27Š|
| 407 | G | 79.4 | Confident | 71.7 | Confident | 16 Ų | 16 | 88.6 Ų | 88.6 | 17% | 0.165 | 50% | 0.504 | C | S | . | . | trans | -69.9 | 150 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C403 V404 S419 | C403-G407 VanDerWaalsContact CB-O 3.25Å; C403-G407 WeakPolarHBondContact CB-O 3.49Å; V404-G407 PolarHBondContact O-N 2.76Å; G407-S419 WeakPolarHBondContact CA-O 3.24Å | ||
| 408 | H | 81.2 | Confident | 72.9 | Confident | 140 Ų | 140 | 81.2 Ų | 81.2 | 65% | 0.648 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135 | 177.1 | -177.1 | -80.8 | 0 | 0 | 0 | 111.1 | A410 S419 | H408-A410 PolarHBondContact O-N 3.4Å; H408-S419 PolarHBondContact N-O 2.81Å; H408-S419 VanDerWaalsContact N-O 3.1Å; H408-S419 PolarHBondContact O-N 3.45Å |
| 409 | C | 78.7 | Confident | 73.8 | Confident | 21 Ų | 21 | 83.1 Ų | 83.1 | 14% | 0.142 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 116.9 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | C398 | C398-C409 HydrophobicContact CB-CB 4.5Å |
| 410 | A | 74.5 | Confident | 74.8 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 31% | 0.306 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | H408 V417 | H408-A410 PolarHBondContact O-N 3.4Å; A410-V417 PolarHBondContact N-O 2.81Å; A410-V417 PolarHBondContact O-N 3.48Å; A410-V417 VanDerWaalsContact O-O 3.09Å |
| 411 | V | 70 | Confident | 75.8 | Confident | 80 Ų | 80 | 84.2 Ų | 84.2 | 49% | 0.485 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115 | 173.4 | -177 | 0 | 0 | 0 | 0 | 107.8 | G413 | V411-G413 WeakPolarHBondContact CG1-O 3.44Å |
| 412 | H | 68.8 | Low | 76.5 | Confident | 154 Ų | 154 | 86.1 Ų | 86.1 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 100.6 | 174.3 | -120.5 | 65.6 | 0 | 0 | 0 | 108.5 | N414 L415 | H412-N414 PolarHBondContact O-N 2.88Å; H412-L415 PolarHBondContact N-O 2.83Å; H412-L415 PolarHBondContact O-N 3.47Å; H412-L415 VanDerWaalsContact O-N 3.11Å |
| 413 | G | 71.4 | Confident | 76.8 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -119.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112 | V411 | V411-G413 WeakPolarHBondContact CG1-O 3.44Š|
| 414 | N | 62.8 | Low | 77.2 | Confident | 174 Ų | 174 | 79.5 Ų | 79.5 | 93% | 0.93 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 2 | 176.3 | -79.1 | -24.9 | 0 | 0 | 0 | 113.9 | H412 | H412-N414 PolarHBondContact O-N 2.88Š|
| 415 | L | 61.7 | Low | 77.2 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.5 | -178.6 | -76 | 146.1 | 0 | 0 | 0 | 110.5 | H412 | H412-L415 PolarHBondContact N-O 2.83Å; H412-L415 PolarHBondContact O-N 3.47Å; H412-L415 VanDerWaalsContact O-N 3.11Å |
| 416 | R | 74.1 | Confident | 77.4 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 54% | 0.54 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.4 | 175.2 | -68 | 172.1 | -97.7 | 172 | -5.1 | 107.9 | S400 L401 | S400-R416 PolarHBondContact OG-NH1 3.32Å; S400-R416 VanDerWaalsContact OG-NH1 3.12Å; L401-R416 HydrophobicContact CD2-CB 3.96Å |
| 417 | V | 78.9 | Confident | 77.7 | Confident | 78 Ų | 78 | 81 Ų | 81 | 47% | 0.473 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 136.9 | -176.9 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | A410 | A410-V417 PolarHBondContact N-O 2.81Å; A410-V417 PolarHBondContact O-N 3.48Å; A410-V417 VanDerWaalsContact O-O 3.09Å |
| 418 | C | 83.5 | Confident | 77.9 | Confident | 9 Ų | 9 | 85.2 Ų | 85.2 | 6% | 0.061 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.1 | 171.2 | -70.4 | 0 | 0 | 0 | 0 | 110.4 | C403 L427 | C403-C418 WeakPolarHBondContact CA-SG 3.37Å; C403-C418 HydrophobicContact CB-CB 3.76Å; C403-C418 WeakPolarHBondContact CB-SG 3.48Å; C403-C418 WeakPolarHBondContact SG-CA 3.49Å; C403-C418 WeakPolarHBondContact SG-CB 3.14Å; C403-C418 CovalentContact SG-SG 2.03Å; C403-C418 PolarHBondContact SG-SG 2.88Å; C418-L427 WeakPolarHBondContact CB-O 3.25Å |
| 419 | S | 84.3 | Confident | 78.2 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.5 | 170 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | G407 H408 | G407-S419 WeakPolarHBondContact CA-O 3.24Å; H408-S419 PolarHBondContact N-O 2.81Å; H408-S419 VanDerWaalsContact N-O 3.1Å; H408-S419 PolarHBondContact O-N 3.45Å |
| 420 | C | 86 | Confident | 78.5 | Confident | 45 Ų | 45 | 82.1 Ų | 82.1 | 30% | 0.304 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 145.1 | -171.1 | -55.7 | 0 | 0 | 0 | 0 | 113.9 | G426 C429 | C420-G426 PolarHBondContact SG-O 3.48Å; C420-C429 WeakPolarHBondContact CA-SG 3.33Å; C420-C429 HydrophobicContact CB-CB 3.6Å; C420-C429 WeakPolarHBondContact CB-SG 3.01Å; C420-C429 WeakPolarHBondContact SG-CA 3.31Å; C420-C429 WeakPolarHBondContact SG-CB 3.2Å; C420-C429 CovalentContact SG-SG 2.03Å; C420-C429 PolarHBondContact SG-SG 3.15Å |
| 421 | R | 83.9 | Confident | 78.9 | Confident | 179 Ų | 179 | 84.5 Ų | 84.5 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 147.7 | 173 | -168.8 | 177.2 | -176.6 | -166.5 | 0.2 | 110.3 | G423 F424 | R421-G423 PolarHBondContact O-N 3.09Å; R421-F424 PolarHBondContact O-N 3.06Å |
| 422 | S | 83.3 | Confident | 79.5 | Confident | 91 Ų | 91 | 83.4 Ų | 83.4 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 136.6 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 423 | G | 80.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -13.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R421 N432 I433 | R421-G423 PolarHBondContact O-N 3.09Å; G423-N432 PolarHBondContact O-OD1 3.31Å; G423-N432 VanDerWaalsContact O-OD1 3.05Å; G423-I433 WeakPolarHBondContact O-CG1 3.39Å; G423-I433 PolarHBondContact O-N 2.8Å |
| 424 | F | 87.4 | Confident | 80.9 | Confident | 33 Ų | 33 | 80.7 Ų | 80.7 | 15% | 0.145 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.2 | 178.5 | -63.8 | -83.9 | 0 | 0 | 0 | 113.4 | N405 R421 C429 I431 N432 I451 | N405-F424 HydrophobicContact CB-CD1 3.87Å; N405-F424 HydrophobicContact CB-CD2 4.18Å; N405-F424 HydrophobicContact CB-CE1 3.88Å; N405-F424 HydrophobicContact CB-CE2 4.18Å; N405-F424 HydrophobicContact CB-CG 4.03Å; N405-F424 HydrophobicContact CB-CZ 4.03Å; R421-F424 PolarHBondContact O-N 3.06Å; F424-C429 HydrophobicContact CB-CB 4.44Å; F424-I431 CarbonylContact C-O 3.54Å; F424-I431 WeakPolarHBondContact CA-O 3.44Å; F424-N432 HydrophobicContact CD1-CB 4.39Å; F424-N432 HydrophobicContact CE1-CB 4.17Å; F424-I451 HydrophobicContact CD2-CG2 4.48Å; F424-I451 HydrophobicContact CE2-CG2 3.59Å; F424-I451 HydrophobicContact CZ-CD1 4.02Å; F424-I451 HydrophobicContact CZ-CG1 4.18Å; F424-I451 HydrophobicContact CZ-CG2 3.9Å |
| 425 | S | 82.4 | Confident | 82 | Confident | 46 Ų | 46 | 74 Ų | 74 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 178.5 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | C429 E430 I431 | S425-C429 CarbonylContact O-C 3.58Å; S425-C429 VanDerWaalsContact O-C 3.26Å; S425-C429 WeakPolarHBondContact O-CA 3.43Å; S425-E430 PolarHBondContact O-N 3.42Å; S425-E430 VanDerWaalsContact O-N 3.16Å; S425-I431 PolarHBondContact N-O 2.04Å; S425-I431 WeakPolarHBondContact O-CB 3.41Å; S425-I431 PolarHBondContact O-N 3.49Å |
| 426 | G | 81.1 | Confident | 83.1 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 103 | 167.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C420 R428 C429 | C420-G426 PolarHBondContact SG-O 3.48Å; G426-R428 PolarHBondContact O-N 3.36Å; G426-C429 PolarHBondContact O-N 3.46Å |
| 427 | L | 78.9 | Confident | 83.6 | Confident | 149 Ų | 149 | 65.3 Ų | 65.3 | 78% | 0.78 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20.9 | -173.1 | -77.1 | 168 | 0 | 0 | 0 | 113.3 | C418 E430 | C418-L427 WeakPolarHBondContact CB-O 3.25Å; L427-E430 PolarHBondContact N-OE2 3.22Å |
| 428 | R | 82.6 | Confident | 83.8 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 11.5 | 174.9 | -62.5 | 178.7 | 62.4 | -152.9 | -2.5 | 111.8 | Q402 V404 G426 E430 | Q402-R428 VanDerWaalsContact O-CZ 3.3Å; Q402-R428 PolarHBondContact O-NE 3.21Å; Q402-R428 PolarHBondContact O-NH2 3.47Å; V404-R428 HydrophobicContact CG2-CB 4.36Å; V404-R428 WeakPolarHBondContact CG2-O 3.39Å; V404-R428 PolarHBondContact N-O 3.31Å; G426-R428 PolarHBondContact O-N 3.36Å; R428-E430 VanDerWaalsContact C-OE2 3.22Å; R428-E430 VanDerWaalsContact CA-OE2 3.25Å; R428-E430 WeakPolarHBondContact CA-OE2 3.18Å; R428-E430 WeakPolarHBondContact CB-OE2 3Å; R428-E430 PolarHBondContact N-OE2 2.8Å |
| 429 | C | 87.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 67.5 | 32.5 | -175.9 | -43.4 | 0 | 0 | 0 | 0 | 114 | N405 C420 F424 S425 G426 | N405-C429 WeakPolarHBondContact CB-O 3.47Å; N405-C429 PolarHBondContact ND2-O 3.48Å; C420-C429 WeakPolarHBondContact CA-SG 3.33Å; C420-C429 HydrophobicContact CB-CB 3.6Å; C420-C429 WeakPolarHBondContact CB-SG 3.01Å; C420-C429 WeakPolarHBondContact SG-CA 3.31Å; C420-C429 WeakPolarHBondContact SG-CB 3.2Å; C420-C429 CovalentContact SG-SG 2.03Å; C420-C429 PolarHBondContact SG-SG 3.15Å; F424-C429 HydrophobicContact CB-CB 4.44Å; S425-C429 CarbonylContact O-C 3.58Å; S425-C429 VanDerWaalsContact O-C 3.26Å; S425-C429 WeakPolarHBondContact O-CA 3.43Å; G426-C429 PolarHBondContact O-N 3.46Å |
| 430 | E | 84.8 | Confident | 83.8 | Confident | 96 Ų | 96 | 76.2 Ų | 76.2 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | trans | -84.2 | -14 | -172.7 | 68.8 | -82 | -161.8 | 0 | 0 | 114.9 | V404 S425 L427 R428 | V404-E430 HydrophobicContact CG2-CB 3.91Å; S425-E430 PolarHBondContact O-N 3.42Å; S425-E430 VanDerWaalsContact O-N 3.16Å; L427-E430 PolarHBondContact N-OE2 3.22Å; R428-E430 VanDerWaalsContact C-OE2 3.22Å; R428-E430 VanDerWaalsContact CA-OE2 3.25Å; R428-E430 WeakPolarHBondContact CA-OE2 3.18Å; R428-E430 WeakPolarHBondContact CB-OE2 3Å; R428-E430 PolarHBondContact N-OE2 2.8Å | ||
| 431 | I | 83.1 | Confident | 83.8 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.6 | -172.4 | -51.7 | 178 | 0 | 0 | 0 | 109.5 | F424 S425 | F424-I431 CarbonylContact C-O 3.54Å; F424-I431 WeakPolarHBondContact CA-O 3.44Å; S425-I431 PolarHBondContact N-O 2.04Å; S425-I431 WeakPolarHBondContact O-CB 3.41Å; S425-I431 PolarHBondContact O-N 3.49Å |
| 432 | N | 82.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 135.2 | 167.2 | -167.5 | 41.7 | 0 | 0 | 0 | 109.6 | G423 F424 D449 G450 | G423-N432 PolarHBondContact O-OD1 3.31Å; G423-N432 VanDerWaalsContact O-OD1 3.05Å; F424-N432 HydrophobicContact CD1-CB 4.39Å; F424-N432 HydrophobicContact CE1-CB 4.17Å; N432-D449 PolarHBondContact ND2-OD2 2.89Å; N432-D449 VanDerWaalsContact ND2-OD2 3.16Å; N432-G450 PolarHBondContact ND2-O 3.46Å |
| 433 | I | 86.2 | Confident | 83.6 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 125.4 | 176.2 | -62.6 | 172.3 | 0 | 0 | 0 | 107.9 | G423 E435 | G423-I433 WeakPolarHBondContact O-CG1 3.39Å; G423-I433 PolarHBondContact O-N 2.8Å; I433-E435 VanDerWaalsContact O-CD 3.27Å; I433-E435 PolarHBondContact O-N 3.01Å |
| 434 | D | 83.3 | Confident | 83.3 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | trans | -81.4 | 106 | 177.7 | -179.8 | -10.1 | 0 | 0 | 0 | 110.3 | C436 A437 | D434-C436 VanDerWaalsContact C-N 3.33Å; D434-C436 WeakPolarHBondContact OD1-CA 3.11Å; D434-C436 VanDerWaalsContact OD1-CB 3.31Å; D434-C436 WeakPolarHBondContact OD1-CB 3.33Å; D434-C436 PolarHBondContact OD1-N 2.94Å; D434-A437 HydrophobicContact CB-CB 4.45Å; D434-A437 WeakPolarHBondContact O-CB 3.5Å; D434-A437 PolarHBondContact OD1-N 3.41Å; D434-A437 VanDerWaalsContact OD1-N 3.15Å | ||
| 435 | E | 85.4 | Confident | 83.1 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 16% | 0.159 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -77.9 | -17.3 | 178.7 | -76.3 | 93 | -151.6 | 0 | 0 | 113.4 | I433 A437 D449 N452 H453 Y454 | I433-E435 VanDerWaalsContact O-CD 3.27Å; I433-E435 PolarHBondContact O-N 3.01Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-D449 PolarHBondContact N-OD1 3.36Å; E435-N452 WeakPolarHBondContact OE1-CA 3.33Å; E435-N452 VanDerWaalsContact OE2-CA 3.29Å; E435-N452 WeakPolarHBondContact OE2-CA 3.25Å; E435-N452 PolarHBondContact OE2-N 2.93Å; E435-H453 PolarHBondContact OE2-N 3.32Å; E435-Y454 HydrophobicContact CB-CD1 4.22Å |
| 436 | C | 84.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -78.9 | -13.8 | 174.8 | -75.7 | 0 | 0 | 0 | 0 | 113.4 | D434 R438 N439 C447 V448 D449 | D434-C436 VanDerWaalsContact C-N 3.33Å; D434-C436 WeakPolarHBondContact OD1-CA 3.11Å; D434-C436 VanDerWaalsContact OD1-CB 3.31Å; D434-C436 WeakPolarHBondContact OD1-CB 3.33Å; D434-C436 PolarHBondContact OD1-N 2.94Å; C436-R438 PolarHBondContact O-N 3.46Å; C436-N439 PolarHBondContact O-N 2.79Å; C436-C447 VanDerWaalsContact CA-SG 3.56Å; C436-C447 HydrophobicContact CB-CB 3.85Å; C436-C447 WeakPolarHBondContact CB-SG 3.49Å; C436-C447 WeakPolarHBondContact SG-CB 3.32Å; C436-C447 CovalentContact SG-SG 2.05Å; C436-C447 PolarHBondContact SG-SG 3.2Å; C436-V448 PolarHBondContact SG-N 2.03Å; C436-D449 PolarHBondContact SG-N 2.98Å |
| 437 | A | 85.8 | Confident | 83.7 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 59% | 0.587 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -54.4 | -20.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D434 E435 | D434-A437 HydrophobicContact CB-CB 4.45Å; D434-A437 WeakPolarHBondContact O-CB 3.5Å; D434-A437 PolarHBondContact OD1-N 3.41Å; D434-A437 VanDerWaalsContact OD1-N 3.15Å; E435-A437 VanDerWaalsContact C-N 3.34Å |
| 438 | R | 83.3 | Confident | 84.1 | Confident | 228 Ų | 228 | 70.3 Ų | 70.3 | 86% | 0.86 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -98.1 | 8.1 | 177.4 | -73.8 | -175.7 | -82.9 | 170.3 | -5.9 | 114.9 | C436 | C436-R438 PolarHBondContact O-N 3.46Š|
| 439 | N | 81.1 | Confident | 84.2 | Confident | 139 Ų | 139 | 68.2 Ų | 68.2 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | trans | 49.6 | 62.7 | -179.4 | -62.7 | -52.2 | 0 | 0 | 0 | 114.2 | C436 C441 | C436-N439 PolarHBondContact O-N 2.79Å; N439-C441 VanDerWaalsContact C-N 3.28Å; N439-C441 PolarHBondContact O-N 2.8Å | ||
| 440 | P | 85.1 | Confident | 83.9 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -75.2 | -10.7 | -176 | 30.9 | -36.4 | 0 | 0 | 0 | 114.9 | Y454 H466 | P440-Y454 HydrophobicContact CB-CD2 4.13Å; P440-Y454 HydrophobicContact CB-CE1 3.93Å; P440-Y454 HydrophobicContact CB-CE2 3.46Å; P440-Y454 VanDerWaalsContact CB-CE2 3.46Å; P440-Y454 HydrophobicContact CG-CD1 3.96Å; P440-Y454 HydrophobicContact CG-CD2 3.4Å; P440-Y454 VanDerWaalsContact CG-CD2 3.4Å; P440-Y454 HydrophobicContact CG-CE1 3.86Å; P440-Y454 HydrophobicContact CG-CE2 3.29Å; P440-Y454 HydrophobicContact CG-CG 3.76Å; P440-H466 PolarHBondContact O-ND1 2.83Å | ||
| 441 | C | 87.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 69 Ų | 69 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | trans | -93.7 | 139 | -175.6 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | N439 S445 C447 C456 | N439-C441 VanDerWaalsContact C-N 3.28Å; N439-C441 PolarHBondContact O-N 2.8Å; C441-S445 VanDerWaalsContact CB-OG 3.23Å; C441-S445 WeakPolarHBondContact CB-OG 3.01Å; C441-C447 HydrophobicContact CB-CB 4.31Å; C441-C447 VanDerWaalsContact SG-CA 3.53Å; C441-C447 WeakPolarHBondContact SG-CB 3.29Å; C441-C447 VanDerWaalsContact SG-SG 3.63Å; C441-C456 WeakPolarHBondContact CA-SG 3.39Å; C441-C456 HydrophobicContact CB-CB 3.69Å; C441-C456 WeakPolarHBondContact CB-SG 3.4Å; C441-C456 WeakPolarHBondContact SG-CA 3.39Å; C441-C456 WeakPolarHBondContact SG-CB 3.07Å; C441-C456 CovalentContact SG-SG 2.02Å; C441-C456 PolarHBondContact SG-SG 3.34Å | ||
| 442 | S | 85.1 | Confident | 83.7 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | trans | -106.7 | 169.7 | -173 | -63 | 0 | 0 | 0 | 0 | 113.7 | G444 S445 H466 | S442-G444 VanDerWaalsContact C-N 3.33Å; S442-G444 PolarHBondContact O-N 3.03Å; S442-S445 PolarHBondContact N-OG 3.09Å; S442-S445 WeakPolarHBondContact O-CB 2.99Å; S442-S445 PolarHBondContact O-N 3.01Å; S442-S445 VanDerWaalsContact O-N 3.17Å; S442-S445 PolarHBondContact O-OG 2.75Å; S442-H466 VanDerWaalsContact CB-O 3.29Å; S442-H466 WeakPolarHBondContact CB-O 3.34Å; S442-H466 PolarHBondContact N-O 2.98Å | ||
| 443 | N | 77.3 | Confident | 83.8 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 38 | 172.9 | -60.2 | -42 | 0 | 0 | 0 | 115.3 | S445 Y462 C467 | N443-S445 PolarHBondContact O-N 3.34Å; N443-Y462 HydrophobicContact CB-CD1 4.46Å; N443-Y462 HydrophobicContact CB-CE1 4.47Å; N443-C467 PolarHBondContact ND2-O 3.49Å |
| 444 | G | 75 | Confident | 83.8 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 84% | 0.835 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 19.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S442 | S442-G444 VanDerWaalsContact C-N 3.33Å; S442-G444 PolarHBondContact O-N 3.03Å |
| 445 | S | 83.2 | Confident | 84 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 12% | 0.119 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 152.4 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | C441 S442 N443 I457 | C441-S445 VanDerWaalsContact CB-OG 3.23Å; C441-S445 WeakPolarHBondContact CB-OG 3.01Å; S442-S445 PolarHBondContact N-OG 3.09Å; S442-S445 WeakPolarHBondContact O-CB 2.99Å; S442-S445 PolarHBondContact O-N 3.01Å; S442-S445 VanDerWaalsContact O-N 3.17Å; S442-S445 PolarHBondContact O-OG 2.75Å; N443-S445 PolarHBondContact O-N 3.34Å; S445-I457 WeakPolarHBondContact CA-O 3.23Å; S445-I457 WeakPolarHBondContact CB-O 3.44Å |
| 446 | T | 86.8 | Confident | 84.1 | Confident | 90 Ų | 90 | 69 Ų | 69 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 124.8 | 179 | -54.4 | 0 | 0 | 0 | 0 | 110 | I457 | T446-I457 PolarHBondContact N-O 3Å; T446-I457 PolarHBondContact O-N 3.49Å |
| 447 | C | 89.2 | Confident | 84.1 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.4 | 171.2 | -167 | 0 | 0 | 0 | 0 | 110.4 | C436 C441 | C436-C447 VanDerWaalsContact CA-SG 3.56Å; C436-C447 HydrophobicContact CB-CB 3.85Å; C436-C447 WeakPolarHBondContact CB-SG 3.49Å; C436-C447 WeakPolarHBondContact SG-CB 3.32Å; C436-C447 CovalentContact SG-SG 2.05Å; C436-C447 PolarHBondContact SG-SG 3.2Å; C441-C447 HydrophobicContact CB-CB 4.31Å; C441-C447 VanDerWaalsContact SG-CA 3.53Å; C441-C447 WeakPolarHBondContact SG-CB 3.29Å; C441-C447 VanDerWaalsContact SG-SG 3.63Å |
| 448 | V | 87.1 | Confident | 83.9 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.6 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | C436 Y454 T455 I457 | C436-V448 PolarHBondContact SG-N 2.03Å; V448-Y454 CarbonylContact O-C 3.39Å; V448-Y454 WeakPolarHBondContact O-CA 3.1Å; V448-T455 PolarHBondContact N-O 3.36Å; V448-T455 PolarHBondContact O-N 3.2Å; V448-I457 HydrophobicContact CG2-CD1 3.82Å; V448-I457 HydrophobicContact CG2-CG1 4.25Å |
| 449 | D | 83.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 146.2 | 177.9 | -174.8 | 52.3 | 0 | 0 | 0 | 111.2 | N432 E435 C436 | N432-D449 PolarHBondContact ND2-OD2 2.89Å; N432-D449 VanDerWaalsContact ND2-OD2 3.16Å; E435-D449 PolarHBondContact N-OD1 3.36Å; C436-D449 PolarHBondContact SG-N 2.98Å |
| 450 | G | 81.4 | Confident | 83.3 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -129.3 | -164.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N432 H453 | N432-G450 PolarHBondContact ND2-O 3.46Å; G450-H453 CarbonylContact C-O 3.56Å; G450-H453 WeakPolarHBondContact CA-O 3.4Å; G450-H453 PolarHBondContact N-O 2.85Å | ||
| 451 | I | 81.8 | Confident | 82.5 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -95.7 | 110 | 170.9 | -62.8 | 169.5 | 0 | 0 | 0 | 107 | F424 H453 | F424-I451 HydrophobicContact CD2-CG2 4.48Å; F424-I451 HydrophobicContact CE2-CG2 3.59Å; F424-I451 HydrophobicContact CZ-CD1 4.02Å; F424-I451 HydrophobicContact CZ-CG1 4.18Å; F424-I451 HydrophobicContact CZ-CG2 3.9Å; I451-H453 PolarHBondContact O-N 2.76Å; I451-H453 PolarHBondContact O-ND1 3.2Å |
| 452 | N | 83 | Confident | 82.1 | Confident | 98 Ų | 98 | 67.1 Ų | 67.1 | 52% | 0.524 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 60.5 | 24.9 | -179.5 | -164.1 | 69.7 | 0 | 0 | 0 | 113.6 | E435 | E435-N452 WeakPolarHBondContact OE1-CA 3.33Å; E435-N452 VanDerWaalsContact OE2-CA 3.29Å; E435-N452 WeakPolarHBondContact OE2-CA 3.25Å; E435-N452 PolarHBondContact OE2-N 2.93Å |
| 453 | H | 84.1 | Confident | 81.6 | Confident | 104 Ų | 104 | 69 Ų | 69 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | trans | -165.2 | 163.3 | 177.6 | 75.3 | -75.3 | 0 | 0 | 0 | 110.8 | E435 G450 I451 | E435-H453 PolarHBondContact OE2-N 3.32Å; G450-H453 CarbonylContact C-O 3.56Å; G450-H453 WeakPolarHBondContact CA-O 3.4Å; G450-H453 PolarHBondContact N-O 2.85Å; I451-H453 PolarHBondContact O-N 2.76Å; I451-H453 PolarHBondContact O-ND1 3.2Å | ||
| 454 | Y | 86.5 | Confident | 81.6 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 161.1 | 173.5 | 66.9 | -86.3 | 0 | 0 | 0 | 111 | E435 P440 V448 H465 H466 | E435-Y454 HydrophobicContact CB-CD1 4.22Å; P440-Y454 HydrophobicContact CB-CD2 4.13Å; P440-Y454 HydrophobicContact CB-CE1 3.93Å; P440-Y454 HydrophobicContact CB-CE2 3.46Å; P440-Y454 VanDerWaalsContact CB-CE2 3.46Å; P440-Y454 HydrophobicContact CG-CD1 3.96Å; P440-Y454 HydrophobicContact CG-CD2 3.4Å; P440-Y454 VanDerWaalsContact CG-CD2 3.4Å; P440-Y454 HydrophobicContact CG-CE1 3.86Å; P440-Y454 HydrophobicContact CG-CE2 3.29Å; P440-Y454 HydrophobicContact CG-CG 3.76Å; V448-Y454 CarbonylContact O-C 3.39Å; V448-Y454 WeakPolarHBondContact O-CA 3.1Å; Y454-H465 AromaticContact CE2-CE1 3.66Å; Y454-H465 AromaticContact CZ-CE1 3.61Å; Y454-H465 PolarHBondContact OH-CE1 2.57Å; Y454-H466 PolarHBondContact OH-CE1 3.21Å; Y454-H466 PolarHBondContact OH-ND1 2.02Å |
| 455 | T | 86.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.6 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | V448 | V448-T455 PolarHBondContact N-O 3.36Å; V448-T455 PolarHBondContact O-N 3.2Å |
| 456 | C | 87.8 | Confident | 81.9 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 11% | 0.108 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.7 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | C441 H465 | C441-C456 WeakPolarHBondContact CA-SG 3.39Å; C441-C456 HydrophobicContact CB-CB 3.69Å; C441-C456 WeakPolarHBondContact CB-SG 3.4Å; C441-C456 WeakPolarHBondContact SG-CA 3.39Å; C441-C456 WeakPolarHBondContact SG-CB 3.07Å; C441-C456 CovalentContact SG-SG 2.02Å; C441-C456 PolarHBondContact SG-SG 3.34Å; C456-H465 VanDerWaalsContact CB-O 3.32Å; C456-H465 WeakPolarHBondContact CB-O 3.09Å; C456-H465 PolarHBondContact SG-O 3.34Å |
| 457 | I | 84.9 | Confident | 81.6 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.3 | 175.4 | -57.2 | 176.7 | 0 | 0 | 0 | 109.5 | S445 T446 V448 | S445-I457 WeakPolarHBondContact CA-O 3.23Å; S445-I457 WeakPolarHBondContact CB-O 3.44Å; T446-I457 PolarHBondContact N-O 3Å; T446-I457 PolarHBondContact O-N 3.49Å; V448-I457 HydrophobicContact CG2-CD1 3.82Å; V448-I457 HydrophobicContact CG2-CG1 4.25Å |
| 458 | C | 81.1 | Confident | 81.3 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 138.3 | -172.5 | -52 | 0 | 0 | 0 | 0 | 113.9 | G464 C467 | C458-G464 PolarHBondContact SG-O 2.87Å; C458-G464 VanDerWaalsContact SG-O 3.36Å; C458-C467 WeakPolarHBondContact CA-SG 3.29Å; C458-C467 HydrophobicContact CB-CB 3.59Å; C458-C467 WeakPolarHBondContact CB-SG 3.35Å; C458-C467 PolarHBondContact N-SG 2.82Å; C458-C467 VanDerWaalsContact N-SG 3.36Å; C458-C467 WeakPolarHBondContact SG-CA 3.28Å; C458-C467 WeakPolarHBondContact SG-CB 3.38Å; C458-C467 CovalentContact SG-SG 2.03Å; C458-C467 PolarHBondContact SG-SG 3.34Å |
| 459 | P | 78.7 | Confident | 80.8 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 26% | 0.26 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 157.8 | 173.6 | 27.7 | -32.6 | 0 | 0 | 0 | 112.6 | G461 Y462 | P459-G461 PolarHBondContact O-N 3.17Å; P459-Y462 HydrophobicContact CG-CD2 4.16Å; P459-Y462 PolarHBondContact O-N 3.26Å; P459-Y462 VanDerWaalsContact O-N 3.09Å |
| 460 | P | 73.1 | Confident | 80.1 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 86% | 0.864 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 129.2 | -178.7 | -24.6 | 33.3 | 0 | 0 | 0 | 112.8 | ||
| 461 | G | 69.2 | Low | 79.3 | Confident | 40 Ų | 40 | 80 Ų | 80 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -10.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P459 P470 M471 | P459-G461 PolarHBondContact O-N 3.17Å; G461-P470 CarbonylContact O-C 3.26Å; G461-P470 VanDerWaalsContact O-CA 3.31Å; G461-P470 WeakPolarHBondContact O-CA 3.21Å; G461-M471 PolarHBondContact O-N 2.87Å |
| 462 | Y | 78.8 | Confident | 78.6 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 42% | 0.416 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 150.5 | 176.1 | -66.1 | -93.7 | 0 | 0 | 0 | 112.4 | N443 P459 R469 | N443-Y462 HydrophobicContact CB-CD1 4.46Å; N443-Y462 HydrophobicContact CB-CE1 4.47Å; P459-Y462 HydrophobicContact CG-CD2 4.16Å; P459-Y462 PolarHBondContact O-N 3.26Å; P459-Y462 VanDerWaalsContact O-N 3.09Å; Y462-R469 CarbonylContact C-O 3.53Å; Y462-R469 WeakPolarHBondContact CA-O 3.44Å |
| 463 | M | 75.1 | Confident | 77.8 | Confident | 93 Ų | 93 | 84.2 Ų | 84.2 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 164.1 | -179.6 | 58.5 | 179.5 | 174.6 | 0 | 0 | 111.4 | D468 R469 P470 | M463-D468 PolarHBondContact O-N 2.89Å; M463-R469 HydrophobicContact CG-CB 4.13Å; M463-R469 WeakPolarHBondContact CG-O 3.47Å; M463-R469 PolarHBondContact N-O 2.05Å; M463-R469 WeakPolarHBondContact O-CB 3.31Å; M463-R469 PolarHBondContact O-N 3.47Å; M463-P470 WeakPolarHBondContact CE-O 3.48Å |
| 464 | G | 76.4 | Confident | 77 | Confident | 37 Ų | 37 | 80.6 Ų | 80.6 | 38% | 0.381 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 115.7 | 161.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C458 H466 C467 | C458-G464 PolarHBondContact SG-O 2.87Å; C458-G464 VanDerWaalsContact SG-O 3.36Å; G464-H466 PolarHBondContact O-N 3.28Å; G464-C467 PolarHBondContact O-N 3.5Å |
| 465 | H | 81.1 | Confident | 76.1 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 55% | 0.546 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.8 | -178.7 | -175.7 | -82.2 | 0 | 0 | 0 | 112.9 | Y454 C456 | Y454-H465 AromaticContact CE2-CE1 3.66Å; Y454-H465 AromaticContact CZ-CE1 3.61Å; Y454-H465 PolarHBondContact OH-CE1 2.57Å; C456-H465 VanDerWaalsContact CB-O 3.32Å; C456-H465 WeakPolarHBondContact CB-O 3.09Å; C456-H465 PolarHBondContact SG-O 3.34Å |
| 466 | H | 82.6 | Confident | 75.1 | Confident | 71 Ų | 71 | 83 Ų | 83 | 33% | 0.329 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 6.3 | 175.9 | -59.8 | -91 | 0 | 0 | 0 | 113.1 | P440 S442 Y454 G464 D468 | P440-H466 PolarHBondContact O-ND1 2.83Å; S442-H466 VanDerWaalsContact CB-O 3.29Å; S442-H466 WeakPolarHBondContact CB-O 3.34Å; S442-H466 PolarHBondContact N-O 2.98Å; Y454-H466 PolarHBondContact OH-CE1 3.21Å; Y454-H466 PolarHBondContact OH-ND1 2.02Å; G464-H466 PolarHBondContact O-N 3.28Å; H466-D468 PolarHBondContact O-N 3.19Å |
| 467 | C | 80.7 | Confident | 74 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 49% | 0.49 | C | S | . | . | S | Bend | trans | 59.3 | 39.2 | -178.3 | -52.1 | 0 | 0 | 0 | 0 | 114.9 | N443 C458 G464 | N443-C467 PolarHBondContact ND2-O 3.49Å; C458-C467 WeakPolarHBondContact CA-SG 3.29Å; C458-C467 HydrophobicContact CB-CB 3.59Å; C458-C467 WeakPolarHBondContact CB-SG 3.35Å; C458-C467 PolarHBondContact N-SG 2.82Å; C458-C467 VanDerWaalsContact N-SG 3.36Å; C458-C467 WeakPolarHBondContact SG-CA 3.28Å; C458-C467 WeakPolarHBondContact SG-CB 3.38Å; C458-C467 CovalentContact SG-SG 2.03Å; C458-C467 PolarHBondContact SG-SG 3.34Å; G464-C467 PolarHBondContact O-N 3.5Å |
| 468 | D | 82.8 | Confident | 73.5 | Confident | 82 Ų | 82 | 86.1 Ų | 86.1 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | trans | -100.7 | -4.9 | -171.6 | 60.8 | -37.2 | 0 | 0 | 0 | 114.9 | M463 H466 | M463-D468 PolarHBondContact O-N 2.89Å; H466-D468 PolarHBondContact O-N 3.19Å | ||
| 469 | R | 77.1 | Confident | 73.4 | Confident | 161 Ų | 161 | 84.9 Ų | 84.9 | 61% | 0.608 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.2 | -172.5 | -54 | -178.4 | 178.7 | -169 | -2.2 | 114.8 | Y462 M463 | Y462-R469 CarbonylContact C-O 3.53Å; Y462-R469 WeakPolarHBondContact CA-O 3.44Å; M463-R469 HydrophobicContact CG-CB 4.13Å; M463-R469 WeakPolarHBondContact CG-O 3.47Å; M463-R469 PolarHBondContact N-O 2.05Å; M463-R469 WeakPolarHBondContact O-CB 3.31Å; M463-R469 PolarHBondContact O-N 3.47Å |
| 470 | P | 69.9 | Low | 73.3 | Confident | 101 Ų | 101 | 87 Ų | 87 | 66% | 0.656 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 152.7 | 178.7 | 31.9 | -33.6 | 0 | 0 | 0 | 115.5 | G461 M463 | G461-P470 CarbonylContact O-C 3.26Å; G461-P470 VanDerWaalsContact O-CA 3.31Å; G461-P470 WeakPolarHBondContact O-CA 3.21Å; M463-P470 WeakPolarHBondContact CE-O 3.48Å |
| 471 | M | 64.9 | Low | 73.3 | Confident | 110 Ų | 110 | 84.4 Ų | 84.4 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | trans | -100.3 | 128 | -171.1 | -165.5 | 179.2 | -171.4 | 0 | 0 | 115.7 | G461 | G461-M471 PolarHBondContact O-N 2.87Š| ||
| 472 | N | 66.5 | Low | 73.5 | Confident | 114 Ų | 114 | 86 Ų | 86 | 61% | 0.61 | 47% | 0.468 | S | S | * | . | trans | -118.2 | 129.2 | 174.3 | -178.9 | -13.4 | 0 | 0 | 0 | 112.2 | C474 | N472-C474 PolarHBondContact OD1-N 3.16Š| ||
| 473 | R | 65 | Low | 73.5 | Confident | 172 Ų | 172 | 81.5 Ų | 81.5 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -105.6 | -3.8 | -170.2 | -58.1 | -167.7 | -169.8 | -155.2 | 3.9 | 117.1 | ||
| 474 | C | 68.6 | Low | 73.7 | Confident | 27 Ų | 27 | 81.5 Ų | 81.5 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -99.7 | -3.8 | 172.7 | -76.3 | 0 | 0 | 0 | 0 | 113.8 | N472 S476 M477 C485 H487 | N472-C474 PolarHBondContact OD1-N 3.16Å; C474-S476 PolarHBondContact O-N 2.84Å; C474-M477 PolarHBondContact O-N 2.93Å; C474-C485 VanDerWaalsContact SG-SG 3.69Å; C474-H487 VanDerWaalsContact SG-CE1 3.5Å; C474-H487 PolarHBondContact SG-NE2 3.31Å |
| 475 | A | 66.8 | Low | 73.8 | Confident | 79 Ų | 79 | 81.6 Ų | 81.6 | 65% | 0.653 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M477 | A475-M477 VanDerWaalsContact C-N 3.32Å; A475-M477 PolarHBondContact O-N 2.97Å |
| 476 | S | 66.5 | Low | 73.6 | Confident | 94 Ų | 94 | 78.8 Ų | 78.8 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.9 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | C474 | C474-S476 PolarHBondContact O-N 2.84Š|
| 477 | M | 64.6 | Low | 73 | Confident | 160 Ų | 160 | 81.7 Ų | 81.7 | 79% | 0.788 | 46% | 0.458 | S | S | * | . | trans | 45.6 | 60.7 | 179 | -59.8 | 179.8 | 76.1 | 0 | 0 | 114 | C474 A475 C479 | C474-M477 PolarHBondContact O-N 2.93Å; A475-M477 VanDerWaalsContact C-N 3.32Å; A475-M477 PolarHBondContact O-N 2.97Å; M477-C479 VanDerWaalsContact C-N 3.28Å; M477-C479 PolarHBondContact O-N 3.3Å | ||
| 478 | P | 74 | Confident | 72.3 | Confident | 26 Ų | 26 | 82.1 Ų | 82.1 | 17% | 0.169 | 46% | 0.463 | C | S | . | . | trans | -77 | 0.2 | -169.1 | 31.2 | -36.9 | 0 | 0 | 0 | 116.1 | P493 Q505 | P478-P493 HydrophobicContact CG-CB 3.88Å; P478-P493 HydrophobicContact CG-CG 4.16Å; P478-Q505 WeakPolarHBondContact O-CG 2.97Å | ||
| 479 | C | 79.4 | Confident | 71 | Confident | 18 Ų | 18 | 85.1 Ų | 85.1 | 12% | 0.122 | 49% | 0.487 | C | S | . | . | trans | -102.6 | 129 | -179.6 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | M477 G483 C485 C495 | M477-C479 VanDerWaalsContact C-N 3.28Å; M477-C479 PolarHBondContact O-N 3.3Å; C479-G483 VanDerWaalsContact CB-O 3.26Å; C479-G483 WeakPolarHBondContact CB-O 3.18Å; C479-C485 HydrophobicContact CB-CB 4.44Å; C479-C485 WeakPolarHBondContact SG-CA 3.43Å; C479-C485 WeakPolarHBondContact SG-CB 3.25Å; C479-C495 WeakPolarHBondContact CA-SG 3.35Å; C479-C495 HydrophobicContact CB-CB 3.68Å; C479-C495 WeakPolarHBondContact CB-SG 3.34Å; C479-C495 WeakPolarHBondContact SG-CA 3.04Å; C479-C495 WeakPolarHBondContact SG-CB 3.33Å; C479-C495 CovalentContact SG-SG 2.02Å; C479-C495 PolarHBondContact SG-SG 2.84Å | ||
| 480 | L | 77.1 | Confident | 70.2 | Confident | 85 Ų | 85 | 83 Ų | 83 | 45% | 0.445 | 49% | 0.492 | S | S | . | . | trans | -100.9 | 171.4 | -173.7 | -57.9 | 172.8 | 0 | 0 | 0 | 111.4 | G482 G483 Q505 C506 Q507 | L480-G482 VanDerWaalsContact C-N 3.28Å; L480-G482 PolarHBondContact O-N 2.84Å; L480-G483 PolarHBondContact O-N 3.12Å; L480-Q505 WeakPolarHBondContact CA-O 3.37Å; L480-Q505 WeakPolarHBondContact CB-O 3.42Å; L480-Q505 PolarHBondContact N-O 2.87Å; L480-C506 WeakPolarHBondContact O-CB 3.41Å; L480-Q507 HydrophobicContact CD1-CB 4.33Å | ||
| 481 | N | 72.7 | Confident | 69.8 | Low | 78 Ų | 78 | 80.7 Ų | 80.7 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 41.8 | 175.2 | -58.1 | -41 | 0 | 0 | 0 | 114.6 | G483 Y501 C506 | N481-G483 VanDerWaalsContact C-N 3.28Å; N481-G483 PolarHBondContact O-N 3.27Å; N481-Y501 HydrophobicContact CB-CD1 3.81Å; N481-Y501 HydrophobicContact CB-CE1 3.92Å; N481-Y501 HydrophobicContact CB-CG 4.12Å; N481-C506 WeakPolarHBondContact CB-O 3.13Å; N481-C506 PolarHBondContact ND2-O 2.77Å |
| 482 | G | 72.6 | Confident | 69.7 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 75% | 0.753 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 11.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L480 | L480-G482 VanDerWaalsContact C-N 3.28Å; L480-G482 PolarHBondContact O-N 2.84Å |
| 483 | G | 79.3 | Confident | 69.8 | Low | 13 Ų | 13 | 79.9 Ų | 79.9 | 13% | 0.134 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 138 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C479 L480 N481 L496 | C479-G483 VanDerWaalsContact CB-O 3.26Å; C479-G483 WeakPolarHBondContact CB-O 3.18Å; L480-G483 PolarHBondContact O-N 3.12Å; N481-G483 VanDerWaalsContact C-N 3.28Å; N481-G483 PolarHBondContact O-N 3.27Å; G483-L496 CarbonylContact C-O 3.46Å; G483-L496 WeakPolarHBondContact CA-O 2.97Å |
| 484 | T | 79.4 | Confident | 70.3 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 56% | 0.564 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.1 | 180 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | L496 | T484-L496 PolarHBondContact N-O 3.02Å; T484-L496 VanDerWaalsContact N-O 3.08Å; T484-L496 PolarHBondContact O-N 2.82Å; T484-L496 VanDerWaalsContact O-N 3.1Å |
| 485 | C | 78.4 | Confident | 70.9 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 27% | 0.27 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.6 | 178.8 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | C474 C479 P493 | C474-C485 VanDerWaalsContact SG-SG 3.69Å; C479-C485 HydrophobicContact CB-CB 4.44Å; C479-C485 WeakPolarHBondContact SG-CA 3.43Å; C479-C485 WeakPolarHBondContact SG-CB 3.25Å; C485-P493 VanDerWaalsContact SG-CB 3.55Å |
| 486 | T | 76.3 | Confident | 71.5 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 36% | 0.362 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.2 | 174.7 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | G488 T494 | T486-G488 PolarHBondContact O-N 2.95Å; T486-G488 VanDerWaalsContact O-N 3.13Å; T486-T494 PolarHBondContact N-O 3.5Å; T486-T494 PolarHBondContact O-N 3.13Å; T486-T494 PolarHBondContact OG1-O 3.15Å |
| 487 | H | 71.4 | Confident | 72.1 | Confident | 131 Ų | 131 | 74.2 Ų | 74.2 | 61% | 0.606 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 106.1 | 170.9 | -65.2 | 89.6 | 0 | 0 | 0 | 107.6 | C474 | C474-H487 VanDerWaalsContact SG-CE1 3.5Å; C474-H487 PolarHBondContact SG-NE2 3.31Å |
| 488 | G | 64.3 | Low | 72.7 | Confident | 9 Ų | 9 | 69 Ų | 69 | 9% | 0.093 | 43% | 0.432 | C | S | . | . | trans | -64.7 | 162.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T486 T490 G491 K492 | T486-G488 PolarHBondContact O-N 2.95Å; T486-G488 VanDerWaalsContact O-N 3.13Å; G488-T490 PolarHBondContact O-N 3.34Å; G488-G491 PolarHBondContact O-N 2.87Å; G488-K492 PolarHBondContact N-O 3.13Å | ||
| 489 | P | 57.3 | Low | 72.5 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 94% | 0.942 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -13.1 | -176.9 | 20.6 | -30.4 | 0 | 0 | 0 | 114.5 | ||
| 490 | T | 58.9 | Low | 72 | Confident | 116 Ų | 116 | 78.7 Ų | 78.7 | 71% | 0.712 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 13.8 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | G488 K492 | G488-T490 PolarHBondContact O-N 3.34Å; T490-K492 PolarHBondContact O-N 2.81Å |
| 491 | G | 61.8 | Low | 71.9 | Confident | 53 Ų | 53 | 78.9 Ų | 78.9 | 55% | 0.546 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 70.4 | 12.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G488 | G488-G491 PolarHBondContact O-N 2.87Š|
| 492 | K | 61.9 | Low | 71.9 | Confident | 151 Ų | 151 | 77.9 Ų | 77.9 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -100.5 | 141.3 | 173.2 | -73.5 | -174.9 | 178.1 | -179.6 | 0 | 110.6 | G488 T490 T494 | G488-K492 PolarHBondContact N-O 3.13Å; T490-K492 PolarHBondContact O-N 2.81Å; K492-T494 PolarHBondContact O-N 2.87Å; K492-T494 PolarHBondContact O-OG1 2.91Å |
| 493 | P | 69.7 | Low | 71.9 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 37% | 0.37 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 127.7 | 178.1 | 26.5 | -32.5 | 0 | 0 | 0 | 109.8 | P478 C485 | P478-P493 HydrophobicContact CG-CB 3.88Å; P478-P493 HydrophobicContact CG-CG 4.16Å; C485-P493 VanDerWaalsContact SG-CB 3.55Å |
| 494 | T | 75.1 | Confident | 71.7 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.7 | 178.9 | -52.8 | 0 | 0 | 0 | 0 | 109.1 | T486 K492 | T486-T494 PolarHBondContact N-O 3.5Å; T486-T494 PolarHBondContact O-N 3.13Å; T486-T494 PolarHBondContact OG1-O 3.15Å; K492-T494 PolarHBondContact O-N 2.87Å; K492-T494 PolarHBondContact O-OG1 2.91Å |
| 495 | C | 80.6 | Confident | 71.5 | Confident | 19 Ų | 19 | 80 Ų | 80 | 13% | 0.128 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.2 | -174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | C479 S504 | C479-C495 WeakPolarHBondContact CA-SG 3.35Å; C479-C495 HydrophobicContact CB-CB 3.68Å; C479-C495 WeakPolarHBondContact CB-SG 3.34Å; C479-C495 WeakPolarHBondContact SG-CA 3.04Å; C479-C495 WeakPolarHBondContact SG-CB 3.33Å; C479-C495 CovalentContact SG-SG 2.02Å; C479-C495 PolarHBondContact SG-SG 2.84Å; C495-S504 WeakPolarHBondContact CB-O 3.47Å |
| 496 | L | 79.9 | Confident | 71.5 | Confident | 112 Ų | 112 | 78 Ų | 78 | 59% | 0.586 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.9 | 171.5 | -63.5 | 171.6 | 0 | 0 | 0 | 109.7 | G483 T484 | G483-L496 CarbonylContact C-O 3.46Å; G483-L496 WeakPolarHBondContact CA-O 2.97Å; T484-L496 PolarHBondContact N-O 3.02Å; T484-L496 VanDerWaalsContact N-O 3.08Å; T484-L496 PolarHBondContact O-N 2.82Å; T484-L496 VanDerWaalsContact O-N 3.1Å |
| 497 | C | 80.2 | Confident | 71.5 | Confident | 55 Ų | 55 | 79 Ų | 79 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 146.8 | -168.2 | -51.7 | 0 | 0 | 0 | 0 | 114.5 | G503 C506 | C497-G503 PolarHBondContact SG-O 2.88Å; C497-C506 WeakPolarHBondContact CA-SG 3.09Å; C497-C506 HydrophobicContact CB-CB 3.57Å; C497-C506 WeakPolarHBondContact CB-SG 3.25Å; C497-C506 WeakPolarHBondContact SG-CA 3.39Å; C497-C506 WeakPolarHBondContact SG-CB 3.02Å; C497-C506 CovalentContact SG-SG 2.03Å; C497-C506 PolarHBondContact SG-SG 3.34Å |
| 498 | A | 76.2 | Confident | 71.7 | Confident | 49 Ų | 49 | 76.9 Ų | 76.9 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 158 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H500 Y501 | A498-H500 PolarHBondContact O-N 3.25Å; A498-Y501 PolarHBondContact O-N 2.85Å; A498-Y501 VanDerWaalsContact O-N 3.1Å |
| 499 | A | 69.6 | Low | 72 | Confident | 83 Ų | 83 | 80 Ų | 80 | 69% | 0.686 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 136.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 500 | H | 69.4 | Low | 72.3 | Confident | 165 Ų | 165 | 79.4 Ų | 79.4 | 76% | 0.764 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.5 | -171.9 | -47.8 | -74.9 | 0 | 0 | 0 | 116.9 | A498 | A498-H500 PolarHBondContact O-N 3.25Š|
| 501 | Y | 74.5 | Confident | 71.9 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 35% | 0.353 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 144.6 | 172.4 | -65.1 | -90 | 0 | 0 | 0 | 113.5 | N481 A498 N508 S509 | N481-Y501 HydrophobicContact CB-CD1 3.81Å; N481-Y501 HydrophobicContact CB-CE1 3.92Å; N481-Y501 HydrophobicContact CB-CG 4.12Å; A498-Y501 PolarHBondContact O-N 2.85Å; A498-Y501 VanDerWaalsContact O-N 3.1Å; Y501-N508 CarbonylContact C-O 3.56Å; Y501-N508 WeakPolarHBondContact CA-O 3.12Å; Y501-S509 VanDerWaalsContact CE1-CB 3.5Å |
| 502 | S | 73.5 | Confident | 71.3 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.5 | 179.5 | 63.2 | 0 | 0 | 0 | 0 | 113 | C506 Q507 N508 | S502-C506 CarbonylContact O-C 3.44Å; S502-Q507 PolarHBondContact O-N 3.02Å; S502-N508 PolarHBondContact N-O 3.06Å; S502-N508 WeakPolarHBondContact O-CB 3.42Å; S502-N508 PolarHBondContact O-N 2.87Å |
| 503 | G | 72.8 | Confident | 70.3 | Confident | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 115.6 | 162.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C497 Q505 C506 | C497-G503 PolarHBondContact SG-O 2.88Å; G503-Q505 PolarHBondContact O-N 3.05Å; G503-Q505 VanDerWaalsContact O-N 3.13Å; G503-C506 PolarHBondContact O-N 3.48Å |
| 504 | S | 73.8 | Confident | 68.6 | Low | 99 Ų | 99 | 90 Ų | 90 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.6 | -175.8 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | C495 | C495-S504 WeakPolarHBondContact CB-O 3.47Š|
| 505 | Q | 75.8 | Confident | 66.5 | Low | 86 Ų | 86 | 94.7 Ų | 94.7 | 40% | 0.402 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 16.7 | 172.6 | -64.7 | -178.1 | -17.7 | 0 | 0 | 111.6 | P478 L480 G503 Q507 | P478-Q505 WeakPolarHBondContact O-CG 2.97Å; L480-Q505 WeakPolarHBondContact CA-O 3.37Å; L480-Q505 WeakPolarHBondContact CB-O 3.42Å; L480-Q505 PolarHBondContact N-O 2.87Å; G503-Q505 PolarHBondContact O-N 3.05Å; G503-Q505 VanDerWaalsContact O-N 3.13Å; Q505-Q507 VanDerWaalsContact C-N 3.3Å; Q505-Q507 VanDerWaalsContact C-OE1 3.29Å; Q505-Q507 PolarHBondContact O-N 2.85Å |
| 506 | C | 77.8 | Confident | 64.1 | Low | 0 Ų | 0 | 97.6 Ų | 97.6 | 0% | 0 | 57% | 0.574 | C | S | . | * | S | Bend | trans | 63.4 | 29.9 | -179 | -46 | 0 | 0 | 0 | 0 | 114.9 | L480 N481 C497 S502 G503 | L480-C506 WeakPolarHBondContact O-CB 3.41Å; N481-C506 WeakPolarHBondContact CB-O 3.13Å; N481-C506 PolarHBondContact ND2-O 2.77Å; C497-C506 WeakPolarHBondContact CA-SG 3.09Å; C497-C506 HydrophobicContact CB-CB 3.57Å; C497-C506 WeakPolarHBondContact CB-SG 3.25Å; C497-C506 WeakPolarHBondContact SG-CA 3.39Å; C497-C506 WeakPolarHBondContact SG-CB 3.02Å; C497-C506 CovalentContact SG-SG 2.03Å; C497-C506 PolarHBondContact SG-SG 3.34Å; S502-C506 CarbonylContact O-C 3.44Å; G503-C506 PolarHBondContact O-N 3.48Å |
| 507 | Q | 76.8 | Confident | 61.8 | Low | 79 Ų | 79 | 97.8 Ų | 97.8 | 37% | 0.369 | 58% | 0.584 | S | S | . | * | trans | -81.5 | -18.6 | -166.8 | 66.7 | -88.8 | 26.4 | 0 | 0 | 116.1 | L480 S502 Q505 | L480-Q507 HydrophobicContact CD1-CB 4.33Å; S502-Q507 PolarHBondContact O-N 3.02Å; Q505-Q507 VanDerWaalsContact C-N 3.3Å; Q505-Q507 VanDerWaalsContact C-OE1 3.29Å; Q505-Q507 PolarHBondContact O-N 2.85Å | ||
| 508 | N | 76 | Confident | 59.8 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.9 | -170.8 | -64.7 | -5.7 | 0 | 0 | 0 | 112.7 | Y501 S502 | Y501-N508 CarbonylContact C-O 3.56Å; Y501-N508 WeakPolarHBondContact CA-O 3.12Å; S502-N508 PolarHBondContact N-O 3.06Å; S502-N508 WeakPolarHBondContact O-CB 3.42Å; S502-N508 PolarHBondContact O-N 2.87Å |
| 509 | S | 71.1 | Confident | 58.4 | Low | 76 Ų | 76 | 102.8 Ų | 102.8 | 53% | 0.531 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.3 | 174.7 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | Y501 | Y501-S509 VanDerWaalsContact CE1-CB 3.5Å |
| 510 | N | 63 | Low | 56.5 | Low | 132 Ų | 132 | 105.5 Ų | 105.5 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | trans | -116 | 90.4 | -172.7 | -75.2 | -15.6 | 0 | 0 | 0 | 114.4 | ||||
| 511 | Q | 51.8 | Low | 54.5 | Low | 202 Ų | 202 | 103.7 Ų | 103.7 | 94% | 0.944 | 62% | 0.618 | S | S | * | * | trans | 176.3 | 151.4 | 139.2 | -107.5 | 178.6 | -20.9 | 0 | 0 | 115.2 | ||||
| 512 | H | 48.6 | Very low | 52.4 | Low | 185 Ų | 185 | 104.1 Ų | 104.1 | 86% | 0.856 | 64% | 0.635 | S | S | * | * | trans | -73.9 | 146.6 | -179.3 | -82.2 | -9.7 | 0 | 0 | 0 | 116.5 | ||||
| 513 | S | 40 | Very low | 50.3 | Low | 114 Ų | 114 | 106 Ų | 106 | 80% | 0.797 | 65% | 0.647 | S | S | * | * | 153.3 | 135.1 | 121.5 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 514 | A | 35.4 | Very low | 48.4 | Very low | 98 Ų | 98 | 113 Ų | 113 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | trans | 54.9 | 117.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 515 | D | 31 | Very low | 47 | Very low | 166 Ų | 166 | 112.8 Ų | 112.8 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | 79.2 | 141.9 | 129.6 | -116.7 | -14.9 | 0 | 0 | 0 | 124.4 | |||||
| 516 | A | 30.1 | Very low | 44.9 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 65% | 0.653 | 68% | 0.683 | S | S | * | * | trans | 72.6 | 113.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 517 | S | 31.1 | Very low | 42.7 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | 78.3 | 127.6 | 133.6 | 57.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 518 | S | 38.6 | Very low | 40.5 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -33 | 158.5 | 155.5 | -168.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 519 | P | 45.5 | Very low | 38.2 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | -155.3 | 157 | 117.8 | 28.2 | -5.6 | 0 | 0 | 0 | 119.5 | |||||
| 520 | N | 29.6 | Very low | 36.6 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 72.8 | 130.8 | 137.5 | -60.6 | -10.7 | 0 | 0 | 0 | 120.4 | ||||
| 521 | T | 28.6 | Very low | 34.9 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -165.6 | 121.8 | 74.9 | 14.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 522 | S | 30.6 | Very low | 34.1 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | 70.5 | 141.5 | 76.3 | 86.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 523 | S | 28.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | cis | 172.1 | 125.6 | 24.3 | 23.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 524 | E | 31.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 90.2 | 173.6 | 92.6 | -95.5 | -151.8 | 159.7 | 0 | 0 | 115 | |||||
| 525 | P | 46.1 | Very low | 34.2 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -144.9 | 172.9 | -13.3 | 24.6 | -0 | 0 | 0 | 0 | 118.8 | ||||
| 526 | S | 30.5 | Very low | 35.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 76 | 140.3 | 139.3 | 71.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 527 | E | 31.8 | Very low | 36 | Very low | 192 Ų | 192 | 128.2 Ų | 128.2 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | cis | -156.3 | 164.5 | 36.6 | -142.8 | 176.6 | -171.4 | 0 | 0 | 113.6 | ||||
| 528 | K | 31.4 | Very low | 36.9 | Very low | 198 Ų | 198 | 128.2 Ų | 128.2 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -91.8 | 155.9 | -173.6 | -60.9 | 172.4 | 175.5 | 176.2 | 0 | 112.6 | ||||
| 529 | L | 27.9 | Very low | 37.5 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | -171.2 | 142.6 | 120.2 | -148.8 | 65 | 0 | 0 | 0 | 113.7 | |||||
| 530 | N | 35.5 | Very low | 37.8 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 150.8 | 173.4 | -65.2 | -57 | 0 | 0 | 0 | 112.8 | ||||
| 531 | L | 27.6 | Very low | 39.2 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | -166.4 | 136 | 125.4 | -141.4 | 77.8 | 0 | 0 | 0 | 113.5 | |||||
| 532 | V | 35.9 | Very low | 40.8 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | -79.9 | 158.9 | 166.5 | 164.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 533 | A | 36.3 | Very low | 42.4 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | 84.1 | 119.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 534 | V | 35.9 | Very low | 44.1 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | -149 | 115.5 | 56 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 535 | G | 54.5 | Low | 46.1 | Very low | 67 Ų | 67 | 116.8 Ų | 116.8 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | trans | -84.1 | 134.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 536 | L | 49.4 | Very low | 47.3 | Very low | 171 Ų | 171 | 117.5 Ų | 117.5 | 90% | 0.895 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 154.7 | 48.6 | 156.5 | -83.6 | 167.2 | 0 | 0 | 0 | 112.1 | ||
| 537 | G | 47.8 | Very low | 49.2 | Very low | 45 Ų | 45 | 116.8 Ų | 116.8 | 46% | 0.464 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -150.6 | -37.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 538 | V | 51 | Low | 51 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.4 | -25.3 | -170.4 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 539 | G | 51.3 | Low | 53.1 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -72.5 | -30.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | V543 | G539-V543 WeakPolarHBondContact O-CG2 3.39Å; G539-V543 PolarHBondContact O-N 3.06Å; G539-V543 VanDerWaalsContact O-N 3.17Å |
| 540 | L | 52.5 | Low | 55.2 | Low | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.4 | -33.1 | -177.1 | -122.1 | 156.4 | 0 | 0 | 0 | 111.9 | L544 | L540-L544 HydrophobicContact CD2-CD1 3.98Å; L540-L544 HydrophobicContact CD2-CG 4.31Å; L540-L544 WeakPolarHBondContact O-CB 3.13Å; L540-L544 WeakPolarHBondContact O-CD1 3.38Å; L540-L544 VanDerWaalsContact O-CG 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.45Å; L540-L544 PolarHBondContact O-N 3.35Å |
| 541 | V | 57.3 | Low | 57.2 | Low | 89 Ų | 89 | 100 Ų | 100 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.5 | -38.8 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | L544 V545 | V541-L544 PolarHBondContact O-N 2.88Å; V541-V545 HydrophobicContact CG1-CG2 4.47Å; V541-V545 WeakPolarHBondContact O-CB 3.34Å; V541-V545 VanDerWaalsContact O-CG2 3.24Å; V541-V545 WeakPolarHBondContact O-CG2 3.34Å; V541-V545 PolarHBondContact O-N 2.82Å |
| 542 | I | 62.5 | Low | 59.5 | Low | 101 Ų | 101 | 95.5 Ų | 95.5 | 52% | 0.518 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.2 | -40.2 | 177.9 | -63.4 | 171.7 | 0 | 0 | 0 | 110.8 | V545 L546 | I542-V545 PolarHBondContact O-N 2.91Å; I542-L546 HydrophobicContact CG2-CD1 4.17Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.45Å; I542-L546 PolarHBondContact O-N 3.2Å |
| 543 | V | 64.9 | Low | 61.3 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.3 | -37.7 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | G539 L546 L547 | G539-V543 WeakPolarHBondContact O-CG2 3.39Å; G539-V543 PolarHBondContact O-N 3.06Å; G539-V543 VanDerWaalsContact O-N 3.17Å; V543-L546 PolarHBondContact O-N 3.43Å; V543-L547 HydrophobicContact CG1-CD1 3.97Å; V543-L547 WeakPolarHBondContact O-CB 3.25Å; V543-L547 WeakPolarHBondContact O-CG 2.96Å; V543-L547 PolarHBondContact O-N 3.37Å |
| 544 | L | 64.6 | Low | 63.1 | Low | 95 Ų | 95 | 94.1 Ų | 94.1 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -36.5 | 175.8 | -77.4 | 167.3 | 0 | 0 | 0 | 112.7 | L540 V541 L547 C548 | L540-L544 HydrophobicContact CD2-CD1 3.98Å; L540-L544 HydrophobicContact CD2-CG 4.31Å; L540-L544 WeakPolarHBondContact O-CB 3.13Å; L540-L544 WeakPolarHBondContact O-CD1 3.38Å; L540-L544 VanDerWaalsContact O-CG 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.45Å; L540-L544 PolarHBondContact O-N 3.35Å; V541-L544 PolarHBondContact O-N 2.88Å; L544-L547 PolarHBondContact O-N 3.47Å; L544-C548 WeakPolarHBondContact O-CB 3.3Å; L544-C548 PolarHBondContact O-N 3.39Å; L544-C548 PolarHBondContact O-SG 2.89Å; L544-C548 VanDerWaalsContact O-SG 3.36Å |
| 545 | V | 72.5 | Confident | 64.4 | Low | 87 Ų | 87 | 91 Ų | 91 | 53% | 0.527 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -41.6 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V541 I542 C548 M549 | V541-V545 HydrophobicContact CG1-CG2 4.47Å; V541-V545 WeakPolarHBondContact O-CB 3.34Å; V541-V545 VanDerWaalsContact O-CG2 3.24Å; V541-V545 WeakPolarHBondContact O-CG2 3.34Å; V541-V545 PolarHBondContact O-N 2.82Å; I542-V545 PolarHBondContact O-N 2.91Å; V545-C548 PolarHBondContact O-N 2.99Å; V545-M549 VanDerWaalsContact O-CG 3.25Å; V545-M549 WeakPolarHBondContact O-CG 2.99Å; V545-M549 PolarHBondContact O-N 3.18Å |
| 546 | L | 71.1 | Confident | 64.8 | Low | 108 Ų | 108 | 92.3 Ų | 92.3 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -40.1 | 175.6 | -69.9 | 171.4 | 0 | 0 | 0 | 111.9 | I542 V543 M549 T550 | I542-L546 HydrophobicContact CG2-CD1 4.17Å; I542-L546 VanDerWaalsContact O-CG 3.29Å; I542-L546 WeakPolarHBondContact O-CG 3.45Å; I542-L546 PolarHBondContact O-N 3.2Å; V543-L546 PolarHBondContact O-N 3.43Å; L546-M549 PolarHBondContact O-N 2.02Å; L546-T550 WeakPolarHBondContact O-CG2 3.49Å; L546-T550 PolarHBondContact O-N 2.89Å; L546-T550 PolarHBondContact O-OG1 2.86Å |
| 547 | L | 72.4 | Confident | 65.5 | Low | 93 Ų | 93 | 90.9 Ų | 90.9 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 173.9 | -80.5 | 165.8 | 0 | 0 | 0 | 111.9 | V543 L544 M549 T550 V551 | V543-L547 HydrophobicContact CG1-CD1 3.97Å; V543-L547 WeakPolarHBondContact O-CB 3.25Å; V543-L547 WeakPolarHBondContact O-CG 2.96Å; V543-L547 PolarHBondContact O-N 3.37Å; L544-L547 PolarHBondContact O-N 3.47Å; L547-M549 VanDerWaalsContact C-N 3.33Å; L547-M549 PolarHBondContact O-N 2.05Å; L547-T550 WeakPolarHBondContact CA-OG1 3.44Å; L547-T550 PolarHBondContact O-N 3.13Å; L547-T550 PolarHBondContact O-OG1 2.94Å; L547-V551 WeakPolarHBondContact O-CG2 3.13Å; L547-V551 PolarHBondContact O-N 3.38Å |
| 548 | C | 68.9 | Low | 66 | Low | 80 Ų | 80 | 95 Ų | 95 | 54% | 0.541 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.7 | -77.8 | 0 | 0 | 0 | 0 | 112.2 | L544 V545 V551 V552 | L544-C548 WeakPolarHBondContact O-CB 3.3Å; L544-C548 PolarHBondContact O-N 3.39Å; L544-C548 PolarHBondContact O-SG 2.89Å; L544-C548 VanDerWaalsContact O-SG 3.36Å; V545-C548 PolarHBondContact O-N 2.99Å; C548-V551 PolarHBondContact O-N 2.03Å; C548-V552 VanDerWaalsContact O-CG2 3.29Å; C548-V552 WeakPolarHBondContact O-CG2 3.44Å; C548-V552 PolarHBondContact O-N 3.33Å |
| 549 | M | 74.5 | Confident | 66 | Low | 117 Ų | 117 | 95.9 Ų | 95.9 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 176.1 | -69 | -65.1 | -86.7 | 0 | 0 | 111.8 | V545 L546 L547 V552 I553 | V545-M549 VanDerWaalsContact O-CG 3.25Å; V545-M549 WeakPolarHBondContact O-CG 2.99Å; V545-M549 PolarHBondContact O-N 3.18Å; L546-M549 PolarHBondContact O-N 2.02Å; L547-M549 VanDerWaalsContact C-N 3.33Å; L547-M549 PolarHBondContact O-N 2.05Å; M549-V552 PolarHBondContact O-N 3.1Å; M549-I553 WeakPolarHBondContact O-CD1 3.19Å; M549-I553 VanDerWaalsContact O-CG1 3.25Å; M549-I553 WeakPolarHBondContact O-CG1 3.27Å; M549-I553 PolarHBondContact O-N 3.16Å |
| 550 | T | 72.6 | Confident | 66.1 | Low | 72 Ų | 72 | 100.2 Ų | 100.2 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -38 | 173.9 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | L546 L547 I553 V554 | L546-T550 WeakPolarHBondContact O-CG2 3.49Å; L546-T550 PolarHBondContact O-N 2.89Å; L546-T550 PolarHBondContact O-OG1 2.86Å; L547-T550 WeakPolarHBondContact CA-OG1 3.44Å; L547-T550 PolarHBondContact O-N 3.13Å; L547-T550 PolarHBondContact O-OG1 2.94Å; T550-I553 PolarHBondContact O-N 3.3Å; T550-V554 WeakPolarHBondContact O-CB 3.3Å; T550-V554 VanDerWaalsContact O-CG2 3.23Å; T550-V554 WeakPolarHBondContact O-CG2 3.29Å; T550-V554 PolarHBondContact O-N 2.75Å |
| 551 | V | 78.4 | Confident | 66.1 | Low | 84 Ų | 84 | 104.2 Ų | 104.2 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | L547 C548 V554 C555 | L547-V551 WeakPolarHBondContact O-CG2 3.13Å; L547-V551 PolarHBondContact O-N 3.38Å; C548-V551 PolarHBondContact O-N 2.03Å; V551-V554 PolarHBondContact O-N 3.29Å; V551-C555 WeakPolarHBondContact O-CB 3Å; V551-C555 PolarHBondContact O-N 3.49Å; V551-C555 PolarHBondContact O-SG 3.08Å |
| 552 | V | 75.3 | Confident | 65.6 | Low | 79 Ų | 79 | 104.2 Ų | 104.2 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | C548 M549 C555 N556 | C548-V552 VanDerWaalsContact O-CG2 3.29Å; C548-V552 WeakPolarHBondContact O-CG2 3.44Å; C548-V552 PolarHBondContact O-N 3.33Å; M549-V552 PolarHBondContact O-N 3.1Å; V552-C555 PolarHBondContact O-N 2.03Å; V552-N556 VanDerWaalsContact O-CB 3.31Å; V552-N556 WeakPolarHBondContact O-CB 2.99Å; V552-N556 PolarHBondContact O-N 2.97Å |
| 553 | I | 73.5 | Confident | 64.8 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 51% | 0.508 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.2 | -41.2 | 175.5 | -68 | 165.5 | 0 | 0 | 0 | 111 | M549 T550 N556 K557 | M549-I553 WeakPolarHBondContact O-CD1 3.19Å; M549-I553 VanDerWaalsContact O-CG1 3.25Å; M549-I553 WeakPolarHBondContact O-CG1 3.27Å; M549-I553 PolarHBondContact O-N 3.16Å; T550-I553 PolarHBondContact O-N 3.3Å; I553-N556 PolarHBondContact O-N 3.4Å; I553-K557 WeakPolarHBondContact O-CB 3.42Å; I553-K557 PolarHBondContact O-N 3.42Å |
| 554 | V | 74.4 | Confident | 63.8 | Low | 93 Ų | 93 | 110.8 Ų | 110.8 | 56% | 0.564 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.2 | -39.2 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | T550 V551 K557 K558 | T550-V554 WeakPolarHBondContact O-CB 3.3Å; T550-V554 VanDerWaalsContact O-CG2 3.23Å; T550-V554 WeakPolarHBondContact O-CG2 3.29Å; T550-V554 PolarHBondContact O-N 2.75Å; V551-V554 PolarHBondContact O-N 3.29Å; V554-K557 PolarHBondContact O-N 3.12Å; V554-K558 VanDerWaalsContact O-CB 3.22Å; V554-K558 WeakPolarHBondContact O-CB 3.45Å; V554-K558 PolarHBondContact O-N 2.72Å |
| 555 | C | 62.8 | Low | 62.8 | Low | 71 Ų | 71 | 112.2 Ų | 112.2 | 48% | 0.48 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.2 | -35.2 | 174.8 | -76.3 | 0 | 0 | 0 | 0 | 112.3 | V551 V552 K558 K559 | V551-C555 WeakPolarHBondContact O-CB 3Å; V551-C555 PolarHBondContact O-N 3.49Å; V551-C555 PolarHBondContact O-SG 3.08Å; V552-C555 PolarHBondContact O-N 2.03Å; C555-K558 PolarHBondContact O-N 3.01Å; C555-K559 WeakPolarHBondContact O-CB 3.3Å; C555-K559 PolarHBondContact O-N 3.05Å |
| 556 | N | 62.6 | Low | 61.2 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.4 | -37.9 | 172.6 | -86.1 | -16 | 0 | 0 | 0 | 112.1 | V552 I553 K559 Q560 | V552-N556 VanDerWaalsContact O-CB 3.31Å; V552-N556 WeakPolarHBondContact O-CB 2.99Å; V552-N556 PolarHBondContact O-N 2.97Å; I553-N556 PolarHBondContact O-N 3.4Å; N556-K559 PolarHBondContact O-N 3.29Å; N556-Q560 WeakPolarHBondContact O-CB 3.45Å; N556-Q560 PolarHBondContact O-N 3.36Å |
| 557 | K | 64.6 | Low | 59.8 | Low | 140 Ų | 140 | 114.7 Ų | 114.7 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67 | -34.6 | 170.7 | -82.5 | -169 | 171.5 | -177.2 | 0 | 112.6 | I553 V554 R561 | I553-K557 WeakPolarHBondContact O-CB 3.42Å; I553-K557 PolarHBondContact O-N 3.42Å; V554-K557 PolarHBondContact O-N 3.12Å; K557-R561 PolarHBondContact O-N 2.81Å |
| 558 | K | 59.3 | Low | 58.3 | Low | 132 Ų | 132 | 117.7 Ų | 117.7 | 57% | 0.574 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.6 | -39.7 | 174.6 | -167.9 | 170 | -178.4 | 173.7 | 0 | 111.5 | V554 C555 R561 D562 | V554-K558 VanDerWaalsContact O-CB 3.22Å; V554-K558 WeakPolarHBondContact O-CB 3.45Å; V554-K558 PolarHBondContact O-N 2.72Å; C555-K558 PolarHBondContact O-N 3.01Å; K558-R561 CarbonylContact O-C 3.44Å; K558-R561 PolarHBondContact O-N 2.96Å; K558-D562 WeakPolarHBondContact O-CB 3.49Å; K558-D562 VanDerWaalsContact O-CG 3.23Å; K558-D562 PolarHBondContact O-N 2.79Å |
| 559 | K | 50.7 | Low | 57.1 | Low | 135 Ų | 135 | 119.8 Ų | 119.8 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.2 | -30.3 | 173.5 | -168.7 | 174 | -176.5 | 177.7 | 0 | 113 | C555 N556 K563 | C555-K559 WeakPolarHBondContact O-CB 3.3Å; C555-K559 PolarHBondContact O-N 3.05Å; N556-K559 PolarHBondContact O-N 3.29Å; K559-K563 WeakPolarHBondContact O-CB 3.46Å; K559-K563 PolarHBondContact O-N 3.42Å; K559-K563 VanDerWaalsContact O-N 3.09Å |
| 560 | Q | 53.5 | Low | 55.2 | Low | 140 Ų | 140 | 122 Ų | 122 | 65% | 0.654 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.5 | -41 | 167.9 | -87.2 | -176.9 | -34.9 | 0 | 0 | 111.7 | N556 K563 E564 | N556-Q560 WeakPolarHBondContact O-CB 3.45Å; N556-Q560 PolarHBondContact O-N 3.36Å; Q560-K563 PolarHBondContact O-N 3Å; Q560-E564 WeakPolarHBondContact O-CB 3.38Å; Q560-E564 PolarHBondContact O-N 2.94Å |
| 561 | R | 51.5 | Low | 53.3 | Low | 195 Ų | 195 | 124.8 Ų | 124.8 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.2 | -37.1 | 172.6 | -83.5 | -171.2 | -174.7 | 163.1 | 1.2 | 113.4 | K557 K558 E564 L565 | K557-R561 PolarHBondContact O-N 2.81Å; K558-R561 CarbonylContact O-C 3.44Å; K558-R561 PolarHBondContact O-N 2.96Å; R561-E564 PolarHBondContact O-N 2.96Å; R561-L565 WeakPolarHBondContact O-CB 3.39Å; R561-L565 PolarHBondContact O-N 2.04Å |
| 562 | D | 47.3 | Very low | 51.6 | Low | 89 Ų | 89 | 128.4 Ų | 128.4 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -76.4 | -29.2 | 179.4 | -66.5 | -19.8 | 0 | 0 | 0 | 111.8 | K558 E564 L565 D566 | K558-D562 WeakPolarHBondContact O-CB 3.49Å; K558-D562 VanDerWaalsContact O-CG 3.23Å; K558-D562 PolarHBondContact O-N 2.79Å; D562-E564 VanDerWaalsContact C-N 3.3Å; D562-L565 PolarHBondContact O-N 3.31Å; D562-D566 PolarHBondContact O-N 2.64Å |
| 563 | K | 45.1 | Very low | 49.3 | Very low | 168 Ų | 168 | 129 Ų | 129 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.8 | -19.3 | 167.9 | -87.4 | -171.7 | 172.4 | -172.9 | 0 | 113.8 | K559 Q560 | K559-K563 WeakPolarHBondContact O-CB 3.46Å; K559-K563 PolarHBondContact O-N 3.42Å; K559-K563 VanDerWaalsContact O-N 3.09Å; Q560-K563 PolarHBondContact O-N 3Å |
| 564 | E | 44.2 | Very low | 47.5 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -90.7 | -15.3 | 173.8 | -159 | 164.6 | -172.9 | 0 | 0 | 112.3 | Q560 R561 D562 | Q560-E564 WeakPolarHBondContact O-CB 3.38Å; Q560-E564 PolarHBondContact O-N 2.94Å; R561-E564 PolarHBondContact O-N 2.96Å; D562-E564 VanDerWaalsContact C-N 3.3Å |
| 565 | L | 43.7 | Very low | 45.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 65% | 0.654 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88.4 | -19.3 | 177.3 | -161.4 | 67 | 0 | 0 | 0 | 114.1 | R561 D562 | R561-L565 WeakPolarHBondContact O-CB 3.39Å; R561-L565 PolarHBondContact O-N 2.04Å; D562-L565 PolarHBondContact O-N 3.31Å |
| 566 | D | 38.8 | Very low | 43.6 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -91.7 | -4.7 | 175.2 | -111.4 | -5.2 | 0 | 0 | 0 | 114.2 | D562 | D562-D566 PolarHBondContact O-N 2.64Š|
| 567 | S | 42.2 | Very low | 41.9 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -96.6 | -4.9 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 568 | K | 40.4 | Very low | 40.1 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -137.8 | 56.5 | 177.7 | -78.3 | -174.5 | 178.5 | 175.4 | 0 | 112.4 | ||||
| 569 | T | 43.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -120.8 | 62.9 | 141.2 | -47.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 570 | M | 35.2 | Very low | 37.3 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -171.5 | 128.9 | 138.8 | -103.4 | 163.3 | 89.2 | 0 | 0 | 108 | ||
| 571 | N | 33.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 86 | 117.5 | 172.9 | -61.6 | -12.9 | 0 | 0 | 0 | 117.3 | S573 | N571-S573 PolarHBondContact O-N 2.88Š| ||
| 572 | N | 40.8 | Very low | 34.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | 42 | 87.1 | 109 | -148.8 | 21.4 | 0 | 0 | 0 | 114.1 | |||||
| 573 | S | 27.9 | Very low | 33.6 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -179.8 | 122.5 | 145.9 | -82.4 | 0 | 0 | 0 | 0 | 109 | N571 | N571-S573 PolarHBondContact O-N 2.88Š| ||
| 574 | S | 34.8 | Very low | 32.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 39.3 | 112.4 | 154.1 | 49.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 575 | R | 29.2 | Very low | 31.8 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -121.4 | 111.7 | 160 | -173 | 175.7 | 172.9 | 170.3 | -1.5 | 106.5 | ||||
| 576 | M | 26.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 144 Ų | 144 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | 57.5 | 122.7 | 89.6 | -118.2 | -173.3 | 91.5 | 0 | 0 | 112.6 | F578 | M576-F578 HydrophobicContact CE-CD2 4.26Å; M576-F578 HydrophobicContact CE-CE2 4.2Å | |||
| 577 | D | 27.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | -177.5 | 156.4 | 101.5 | -79.8 | -23.3 | 0 | 0 | 0 | 107 | |||||
| 578 | F | 26 | Very low | 30 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 74% | 0.737 | 76% | 0.755 | S | S | * | * | cis | -173.4 | 148.7 | 2.2 | -136.8 | -106.5 | 0 | 0 | 0 | 107.3 | M576 | M576-F578 HydrophobicContact CE-CD2 4.26Å; M576-F578 HydrophobicContact CE-CE2 4.2Å | ||
| 579 | Q | 25 | Very low | 29.3 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -169.8 | 146.7 | 145.9 | -104.4 | -163.8 | 4.8 | 0 | 0 | 106 | ||||
| 580 | K | 27.3 | Very low | 28.4 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | cis | -170.1 | 149.7 | -7.4 | -161.4 | 177.4 | -178.2 | -178.4 | 0 | 104 | ||||
| 581 | E | 24.4 | Very low | 28 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -87.1 | 156.8 | 169.9 | -76.1 | -164.7 | 164.7 | 0 | 0 | 112.9 | ||||
| 582 | N | 25 | Very low | 27.7 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 85.2 | 114.6 | 146.6 | -61.6 | -32.4 | 0 | 0 | 0 | 120.4 | ||||
| 583 | L | 25.6 | Very low | 27 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | trans | -131.1 | 144.9 | 140.4 | -91.3 | 168.3 | 0 | 0 | 0 | 110.5 | ||||
| 584 | I | 24.3 | Very low | 27 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -89 | 156.9 | -178.3 | -71.8 | 166.1 | 0 | 0 | 0 | 110.6 | ||||
| 585 | S | 26 | Very low | 26.7 | Very low | 96 Ų | 96 | 154.9 Ų | 154.9 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -78.8 | 155.7 | -173.1 | 174.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 586 | S | 29.2 | Very low | 26.7 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 154.3 | 118 | 114.6 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 587 | V | 30.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | 76.8 | 128.9 | 95.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 588 | E | 28.2 | Very low | 26.5 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | cis | -173 | 149.8 | 24 | -133.7 | 163.3 | -170.3 | 0 | 0 | 106.8 | ||||
| 589 | L | 24.7 | Very low | 26.4 | Very low | 128 Ų | 128 | 151 Ų | 151 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | 175.1 | 128.6 | 77.4 | -102.2 | 144.3 | 0 | 0 | 0 | 110.4 | |||||
| 590 | K | 26 | Very low | 26.4 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | 42.2 | 116.7 | 142.6 | -66.3 | 175.2 | -174.1 | 174.2 | 0 | 120.8 | ||||
| 591 | N | 24.8 | Very low | 26.2 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | -170.9 | 141.6 | 91.3 | -104.4 | -21.2 | 0 | 0 | 0 | 113.1 | |||||
| 592 | T | 27.6 | Very low | 26.2 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 136.7 | 178.6 | 30.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 593 | N | 27 | Very low | 26.4 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | -157.5 | 133.9 | 122.6 | -98 | -26.5 | 0 | 0 | 0 | 112.5 | |||||
| 594 | K | 27.5 | Very low | 26.5 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -81.1 | 118 | -168.1 | -174.6 | -179.3 | -176.5 | -178.3 | 0 | 109.4 | ||||
| 595 | K | 28 | Very low | 26.6 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -99.9 | 109.9 | 167.4 | -149.8 | 174.8 | -174.6 | -178.7 | 0 | 108.6 | ||||
| 596 | I | 29.2 | Very low | 26.6 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -69.1 | 130 | 169.2 | -77.1 | 162.5 | 0 | 0 | 0 | 107.4 | ||||
| 597 | G | 24.3 | Very low | 26.5 | Very low | 66 Ų | 66 | 145.9 Ų | 145.9 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -78.1 | 153.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 598 | L | 25.6 | Very low | 26.2 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -132.4 | 96.5 | 159.2 | -99.8 | 144.3 | 0 | 0 | 0 | 106.3 | ||||
| 599 | E | 23.4 | Very low | 26.2 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -71.4 | 131.4 | 157.9 | -109.4 | 169 | 163.7 | 0 | 0 | 107.4 | ||||
| 600 | V | 26.4 | Very low | 26.2 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -119.6 | 102.7 | 166.4 | -171.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 601 | D | 23 | Very low | 26.1 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 132.9 | 163.3 | -94.8 | -39.2 | 0 | 0 | 0 | 109.8 | ||||
| 602 | C | 24.1 | Very low | 26.1 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -131.8 | 139.6 | 159.1 | -90.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 603 | P | 27.9 | Very low | 26 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -86.2 | 153.3 | -163.2 | 1.1 | 19.3 | 0 | 0 | 0 | 113.1 | ||||
| 604 | S | 28.2 | Very low | 25.9 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -78.3 | 140.6 | 169.3 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 605 | E | 27.1 | Very low | 25.8 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | -163 | 111.7 | 140.9 | -108.6 | 175.1 | -179.1 | 0 | 0 | 110.3 | ||||
| 606 | K | 25.1 | Very low | 25.6 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | 56.8 | 133.5 | 108.2 | -67.1 | -179 | -169.7 | 159.8 | 0 | 113.9 | |||||
| 607 | S | 26.6 | Very low | 25.3 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | cis | -178.7 | 147.9 | 8.4 | 51.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 608 | N | 25.7 | Very low | 25.2 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | 177.7 | 128.9 | 79 | -92.2 | -48.9 | 0 | 0 | 0 | 110.4 | |||||
| 609 | H | 28.6 | Very low | 25 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 35.9 | 139.9 | 130.5 | -59.2 | 90.9 | 0 | 0 | 0 | 119.4 | ||||
| 610 | K | 23.9 | Very low | 25 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | cis | -173.8 | 138.2 | 34.3 | -147.8 | 167.5 | 178.8 | -177 | 0 | 111.8 | ||||
| 611 | Y | 24.6 | Very low | 25 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | 61.4 | 112.1 | 141.5 | -83.1 | -117.6 | 0 | 0 | 0 | 120.1 | ||||
| 612 | I | 25 | Very low | 25.5 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 60% | 0.6 | 71% | 0.714 | S | S | * | * | 76.9 | 106.6 | 80.7 | -70.2 | 168.8 | 0 | 0 | 0 | 112.5 | |||||
| 613 | N | 24.9 | Very low | 25.6 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | 172.9 | 146.1 | 114.8 | -97.7 | -26.8 | 0 | 0 | 0 | 107.5 | |||||
| 614 | S | 25.1 | Very low | 25.4 | Very low | 73 Ų | 73 | 143.6 Ų | 143.6 | 51% | 0.51 | 71% | 0.713 | S | S | . | * | cis | 168.3 | 137.8 | -20.7 | 46.3 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 615 | Y | 25.3 | Very low | 25.2 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | 62.4 | 145.1 | 151.6 | -63.8 | -51.1 | 0 | 0 | 0 | 118.6 | ||||
| 616 | Q | 23 | Very low | 25.1 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 64% | 0.64 | 71% | 0.706 | S | S | * | * | cis | -179.4 | 160.2 | -11.1 | -132.5 | 169.7 | -36.9 | 0 | 0 | 104.7 | ||||
| 617 | L | 24.2 | Very low | 25.1 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 67% | 0.665 | 70% | 0.698 | S | S | * | * | trans | 54.7 | 146.7 | 139.3 | -72 | 159.4 | 0 | 0 | 0 | 118.3 | ||||
| 618 | D | 22.2 | Very low | 25.1 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | cis | -176.2 | 164.7 | -16 | -147.1 | -15.7 | 0 | 0 | 0 | 102.8 | ||||
| 619 | Y | 21.8 | Very low | 25.1 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | trans | 75.1 | 119.9 | 145.9 | -109.1 | -135.3 | 0 | 0 | 0 | 122.1 | ||||
| 620 | K | 23.4 | Very low | 24.9 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | 94.3 | 109.9 | 127.7 | -92.9 | -175.9 | 179.1 | 164.9 | 0 | 119.9 | |||||
| 621 | S | 26.3 | Very low | 25 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -41.8 | 159.4 | 146.4 | -175.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 622 | P | 31.7 | Very low | 25.1 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | -136.5 | 156.2 | 118.3 | 35.4 | -22.4 | 0 | 0 | 0 | 115.2 | |||||
| 623 | V | 26.7 | Very low | 25.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -78.2 | 140.3 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 624 | R | 24.2 | Very low | 25.1 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 82% | 0.819 | 73% | 0.726 | S | S | * | * | 167 | 150.2 | 122.4 | -104 | -174.8 | -174.2 | 173.8 | 4.8 | 116.1 | |||||
| 625 | Y | 23.6 | Very low | 25.2 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 77.7 | 113.2 | 156.3 | -103.5 | -102.3 | 0 | 0 | 0 | 117.1 | ||||
| 626 | K | 25.1 | Very low | 25.3 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | 99.4 | 131.9 | 52.9 | -123.1 | -165.1 | 179.1 | -159.8 | 0 | 111.7 | |||||
| 627 | D | 25.5 | Very low | 25.3 | Very low | 119 Ų | 119 | 149 Ų | 149 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | 89.8 | 118.4 | 154.9 | -65.1 | -19.5 | 0 | 0 | 0 | 121 | ||||
| 628 | E | 26.8 | Very low | 25.2 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | 93.3 | 112.7 | 127.5 | -81.5 | -169.7 | 159.6 | 0 | 0 | 122.3 | |||||
| 629 | L | 24.9 | Very low | 25.4 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | 73.9 | 130.3 | 127.4 | -115.5 | 77.3 | 0 | 0 | 0 | 121.1 | |||||
| 630 | S | 25.4 | Very low | 25.5 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | trans | 113.7 | 104.6 | 132.3 | 72.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 631 | L | 25.7 | Very low | 25.5 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | 57.3 | 142.6 | 119.3 | -76.7 | 156.4 | 0 | 0 | 0 | 121.6 | |||||
| 632 | L | 26.2 | Very low | 25.5 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 79 | 116.6 | 166.4 | -64 | 135.2 | 0 | 0 | 0 | 113.8 | ||||
| 633 | G | 24.4 | Very low | 25.2 | Very low | 64 Ų | 64 | 150.2 Ų | 150.2 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 85.7 | 90.5 | 27.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 634 | K | 25.1 | Very low | 25.1 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | 172 | 138.8 | 134.6 | -100.8 | 173 | 177.3 | 176.2 | 0 | 112.4 | ||||
| 635 | D | 27.5 | Very low | 25.1 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -50.1 | 144.3 | 163.8 | -55.2 | -67.3 | 0 | 0 | 0 | 113.2 | ||||
| 636 | E | 27.1 | Very low | 25.2 | Very low | 203 Ų | 203 | 153 Ų | 153 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | trans | -134.4 | 138 | 141.6 | -85.5 | -167.4 | 159.4 | 0 | 0 | 110.4 | ||||
| 637 | N | 23.9 | Very low | 25.3 | Very low | 150 Ų | 150 | 153 Ų | 153 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -109.7 | 166.6 | -172.6 | -174.4 | 18.5 | 0 | 0 | 0 | 108.7 | ||||
| 638 | C | 22.5 | Very low | 25.2 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | 74.4 | 142.4 | 165 | -95.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 639 | E | 25.2 | Very low | 25.2 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 64% | 0.64 | 78% | 0.779 | S | S | * | * | cis | -172.3 | 161.5 | 7.3 | -140.9 | 179.5 | 163.3 | 0 | 0 | 110.3 | ||||
| 640 | K | 24.9 | Very low | 25.2 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 70% | 0.696 | 79% | 0.786 | S | S | * | * | trans | 81.3 | 100.1 | 147.8 | -83.2 | 156.9 | -175.8 | 147.7 | 0 | 122.2 | ||||
| 641 | T | 24 | Very low | 25.1 | Very low | 125 Ų | 125 | 160.1 Ų | 160.1 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -27 | 142.3 | 132.5 | 47.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 642 | L | 25.5 | Very low | 25.1 | Very low | 162 Ų | 162 | 162.5 Ų | 162.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | -169.1 | 150.8 | 107.2 | -146 | 83.5 | 0 | 0 | 0 | 112.2 | |||||
| 643 | E | 25.8 | Very low | 25.2 | Very low | 155 Ų | 155 | 159 Ų | 159 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -43.7 | 148.4 | -175.5 | -58.9 | 179.5 | 131.2 | 0 | 0 | 119.7 | ||||
| 644 | E | 24.1 | Very low | 25.6 | Very low | 209 Ų | 209 | 163.7 Ų | 163.7 | 98% | 0.977 | 80% | 0.795 | S | S | * | * | -138.6 | 126.6 | 129.6 | -106.6 | -177.8 | 176.5 | 0 | 0 | 110.2 | |||||
| 645 | R | 25 | Very low | 25.8 | Very low | 212 Ų | 212 | 162.5 Ų | 162.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -117.9 | 145.5 | -179.7 | -167.5 | -170.8 | -127 | -179.5 | 2.8 | 108.6 | ||||
| 646 | K | 24.8 | Very low | 26 | Very low | 174 Ų | 174 | 160.1 Ų | 160.1 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 89.3 | 133.1 | 168.4 | -53.8 | 177.6 | 171.3 | 176.8 | 0 | 113.9 | ||||
| 647 | H | 26.3 | Very low | 26.2 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -152.8 | 150.7 | 26.3 | -93.4 | -85 | 0 | 0 | 0 | 106.3 | ||||
| 648 | L | 25.2 | Very low | 26.3 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | -179.2 | 110.1 | 53.4 | -147.1 | 98.9 | 0 | 0 | 0 | 105.5 | |||||
| 649 | S | 25.1 | Very low | 26.7 | Very low | 106 Ų | 106 | 160.1 Ų | 160.1 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 38 | 106.4 | 99.1 | -64.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 650 | R | 25.3 | Very low | 27 | Very low | 244 Ų | 244 | 160.9 Ų | 160.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | 148.1 | 145.6 | 112.6 | -95 | 179.7 | 171.5 | 161.2 | -2.3 | 114.7 | |||||
| 651 | M | 23.7 | Very low | 27 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | 94.8 | 113 | 176.1 | -70.8 | -165.3 | 171.9 | 0 | 0 | 113.7 | ||||
| 652 | Y | 25.9 | Very low | 27.3 | Very low | 208 Ų | 208 | 158.4 Ų | 158.4 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | cis | -153.9 | 124.8 | 22.3 | -118.4 | -116.8 | 0 | 0 | 0 | 106.3 | ||||
| 653 | S | 28.6 | Very low | 27.4 | Very low | 91 Ų | 91 | 158.4 Ų | 158.4 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | 94.1 | 110.2 | 74.9 | 75.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 654 | D | 31.4 | Very low | 27.4 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | 25.2 | 116.9 | 146.5 | -63.1 | -33.6 | 0 | 0 | 0 | 122 | ||||
| 655 | L | 30.7 | Very low | 27.5 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -109.4 | 129 | 144.2 | -95.2 | 120 | 0 | 0 | 0 | 108.2 | D657 | L655-D657 PolarHBondContact O-N 3.27Š| ||
| 656 | S | 31.3 | Very low | 28 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -78 | 112.2 | -177.3 | 34.3 | 0 | 0 | 0 | 0 | 112.3 | C658 | S656-C658 PolarHBondContact O-N 3.16Š| ||
| 657 | D | 30.5 | Very low | 28.5 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -68.5 | 120 | 166.2 | -100.1 | -13.8 | 0 | 0 | 0 | 110.5 | L655 R659 | L655-D657 PolarHBondContact O-N 3.27Å; D657-R659 PolarHBondContact O-N 3.31Å | ||
| 658 | C | 27.3 | Very low | 29.3 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 68% | 0.676 | 80% | 0.798 | S | S | * | * | trans | -79.5 | 93.8 | 163.9 | -74.4 | 0 | 0 | 0 | 0 | 109.4 | S656 C684 | S656-C658 PolarHBondContact O-N 3.16Å; C658-C684 PolarHBondContact SG-SG 3.27Å | ||
| 659 | R | 31 | Very low | 29.7 | Very low | 215 Ų | 215 | 147.1 Ų | 147.1 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -85.9 | 110.9 | 169.1 | -73.1 | -173.9 | 179.7 | -165.9 | -1.6 | 110.4 | D657 | D657-R659 PolarHBondContact O-N 3.31Š| ||
| 660 | I | 30.1 | Very low | 30.1 | Very low | 153 Ų | 153 | 149 Ų | 149 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -83.4 | 117.8 | 165.4 | -62 | 172.5 | 0 | 0 | 0 | 107.7 | ||||
| 661 | S | 26.5 | Very low | 30.6 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -98.9 | 109.7 | 167.4 | 11.5 | 0 | 0 | 0 | 0 | 108.1 | I663 | S661-I663 PolarHBondContact O-N 3Š| ||
| 662 | T | 29.6 | Very low | 30.9 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -73.2 | 111.5 | 172.6 | 41.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 663 | I | 27.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -88.9 | 106.2 | 164.7 | -60.4 | 172.6 | 0 | 0 | 0 | 106.9 | S661 S665 | S661-I663 PolarHBondContact O-N 3Å; I663-S665 PolarHBondContact O-N 3.05Å | ||
| 664 | C | 24.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -75 | 119.5 | 167.3 | -92.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 665 | S | 26.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -105.3 | 130.1 | 161.3 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | I663 K667 | I663-S665 PolarHBondContact O-N 3.05Å; S665-K667 PolarHBondContact O-N 3.26Å | ||
| 666 | S | 36.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -71.2 | 104.9 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 667 | K | 35.9 | Very low | 31.9 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 159.9 | 121.2 | 132.7 | -89.6 | 174.5 | 178.3 | -177.5 | 0 | 109.5 | S665 | S665-K667 PolarHBondContact O-N 3.26Š|
| 668 | E | 42.4 | Very low | 32.1 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 40.4 | 99.3 | 160.8 | -67 | 179.4 | 168.3 | 0 | 0 | 117.3 | ||||
| 669 | S | 32.7 | Very low | 33 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -168.3 | 126.2 | 143.5 | 25.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 670 | V | 34.9 | Very low | 33.6 | Very low | 146 Ų | 146 | 144 Ų | 144 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -79.4 | 119.2 | 170 | 176.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 671 | Y | 35.4 | Very low | 34.1 | Very low | 193 Ų | 193 | 147 Ų | 147 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -125.4 | 131.3 | 165.9 | -73.7 | -78.3 | 0 | 0 | 0 | 109.3 | ||||
| 672 | Q | 30 | Very low | 34.8 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -98.6 | 116.2 | 172.7 | -170 | 166.7 | -4 | 0 | 0 | 107.8 | ||||
| 673 | S | 33.8 | Very low | 35.3 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -88.6 | 134.1 | 177 | 37.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 674 | V | 31.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -118.8 | 134.1 | 169.5 | 179.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 675 | F | 34.6 | Very low | 36.4 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -101.2 | 137.5 | -179.6 | -59.3 | -87.1 | 0 | 0 | 0 | 111.2 | ||||
| 676 | V | 33.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -130.5 | 126.7 | 165.8 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 677 | I | 34.7 | Very low | 37.3 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -88.6 | 118.3 | 176.7 | -57.6 | 172.2 | 0 | 0 | 0 | 108 | E679 | I677-E679 HydrophobicContact CG2-CG 4.35Š| ||
| 678 | G | 34.7 | Very low | 37.5 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -109 | 98.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E680 | G678-E680 PolarHBondContact O-N 3.11Š| ||
| 679 | E | 47.5 | Very low | 37 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 104 | 169 | -81.7 | -175.3 | 148.9 | 0 | 0 | 109.2 | I677 | I677-E679 HydrophobicContact CG2-CG 4.35Š|
| 680 | E | 42.3 | Very low | 37.3 | Very low | 188 Ų | 188 | 153.9 Ų | 153.9 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.9 | -2 | 141.9 | -110.3 | 178.3 | -173.6 | 0 | 0 | 115.9 | G678 | G678-E680 PolarHBondContact O-N 3.11Š|
| 681 | R | 41.3 | Very low | 37.4 | Very low | 215 Ų | 215 | 154.3 Ų | 154.3 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -137.1 | 9.8 | -174.5 | -70.8 | -165.6 | 177.8 | -166.6 | -0.4 | 120.1 | E683 | R681-E683 VanDerWaalsContact C-N 3.25Å; R681-E683 PolarHBondContact O-N 2.98Å |
| 682 | Q | 41.7 | Very low | 37.5 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | 47.5 | 45.5 | 179 | -70.1 | -171.4 | -33.3 | 0 | 0 | 113.6 | ||||
| 683 | E | 38.6 | Very low | 37.9 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 71% | 0.71 | 81% | 0.813 | S | S | * | * | trans | -124.7 | 133.7 | 170.7 | -72.1 | -177.7 | 173.6 | 0 | 0 | 109.6 | R681 | R681-E683 VanDerWaalsContact C-N 3.25Å; R681-E683 PolarHBondContact O-N 2.98Å | ||
| 684 | C | 34.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 72% | 0.716 | 82% | 0.822 | S | S | * | * | trans | -84.7 | 108.3 | 169.5 | -71.7 | 0 | 0 | 0 | 0 | 109.3 | C658 | C658-C684 PolarHBondContact SG-SG 3.27Š| ||
| 685 | I | 43.1 | Very low | 38.6 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | -96.5 | 117.8 | 173.7 | -56.6 | 177.3 | 0 | 0 | 0 | 108.7 | ||||
| 686 | I | 43.7 | Very low | 38.9 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | -94 | 109.2 | 169.3 | -59.9 | 171.2 | 0 | 0 | 0 | 107.2 | T688 | I686-T688 HydrophobicContact CG2-CG2 4.32Š| ||
| 687 | A | 37.3 | Very low | 39.3 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -95.6 | 120.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 688 | T | 39.7 | Very low | 39.6 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 72% | 0.718 | 83% | 0.83 | S | S | * | * | trans | -112.7 | 124.9 | 166.2 | 43.6 | 0 | 0 | 0 | 0 | 106.8 | I686 | I686-T688 HydrophobicContact CG2-CG2 4.32Š| ||
| 689 | E | 32.5 | Very low | 40 | Very low | 191 Ų | 191 | 161.7 Ų | 161.7 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | -76.4 | 134.1 | 166.7 | -129.4 | 178.3 | -176.2 | 0 | 0 | 107.6 | ||||
| 690 | V | 38.5 | Very low | 39.4 | Very low | 208 Ų | 208 | 160.2 Ų | 160.2 | 100% | 1.261 | 84% | 0.837 | S | S | * | * | trans | -92.8 | 0 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 690 of 690 residues in 1283.7 ms
(Link to these results)