| 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 | 47.3 | Very low | 39.6 | Very low | 223 Ų | 223 | 130.5 Ų | 130.5 | 100% | 1.099 | 71% | 0.712 | S | S | * | * | 0 | -4.9 | 0 | -82 | -179.1 | 113.7 | 0 | 0 | 115 | |||||
| 2 | Q | 43.9 | Very low | 39 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -87.8 | -18.7 | 177.6 | -82.9 | 155.7 | -34.1 | 0 | 0 | 115 | ||||
| 3 | L | 42.2 | Very low | 38.6 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -80.1 | -17.7 | 179.9 | -86.6 | 146.3 | 0 | 0 | 0 | 114.4 | ||
| 4 | L | 40.3 | Very low | 38.4 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -83.5 | -21.5 | 179.7 | -117.6 | 134 | 0 | 0 | 0 | 113.2 | ||
| 5 | V | 43.1 | Very low | 38.4 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -82.3 | -27.9 | 179.5 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | S9 | V5-S9 PolarHBondContact O-OG 3.08Å |
| 6 | V | 43.2 | Very low | 39.1 | Very low | 91 Ų | 91 | 127 Ų | 127 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -78.7 | -31 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | S9 | V6-S9 WeakPolarHBondContact CA-OG 3.42Å; V6-S9 PolarHBondContact O-OG 2.88Å; V6-S9 VanDerWaalsContact O-OG 3.08Å |
| 7 | A | 37.7 | Very low | 40.2 | Very low | 55 Ų | 55 | 120.4 Ų | 120.4 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -73.7 | -28.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 8 | L | 36.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.8 | -19.4 | 177.3 | -132.8 | 78.7 | 0 | 0 | 0 | 113.4 | L10 | L8-L10 VanDerWaalsContact C-N 3.32Å |
| 9 | S | 34.1 | Very low | 44.2 | Very low | 86 Ų | 86 | 110.9 Ų | 110.9 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -7.8 | 174.5 | 26.6 | 0 | 0 | 0 | 0 | 113.3 | V5 V6 | V5-S9 PolarHBondContact O-OG 3.08Å; V6-S9 WeakPolarHBondContact CA-OG 3.42Å; V6-S9 PolarHBondContact O-OG 2.88Å; V6-S9 VanDerWaalsContact O-OG 3.08Å |
| 10 | L | 36 | Very low | 46.4 | Very low | 143 Ų | 143 | 105.7 Ų | 105.7 | 75% | 0.749 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 6.2 | 178.1 | -78.8 | 158.5 | 0 | 0 | 0 | 113.7 | L8 | L8-L10 VanDerWaalsContact C-N 3.32Š|
| 11 | L | 31.3 | Very low | 48.2 | Very low | 132 Ų | 132 | 100.8 Ų | 100.8 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -117.9 | 22.3 | -175.4 | -85.7 | 166.2 | 0 | 0 | 0 | 114.8 | P13 | L11-P13 WeakPolarHBondContact O-CD 3.36Š|
| 12 | L | 32.9 | Very low | 50.2 | Low | 119 Ų | 119 | 90.5 Ų | 90.5 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | trans | -114.6 | 92.2 | 171.8 | -64.4 | 173.4 | 0 | 0 | 0 | 110.4 | L14 | L12-L14 HydrophobicContact CB-CB 4.15Å; L12-L14 HydrophobicContact CB-CD1 4.12Å; L12-L14 HydrophobicContact CB-CG 4.15Å; L12-L14 HydrophobicContact CD1-CD1 3.88Å; L12-L14 HydrophobicContact CD2-CD1 3.22Å; L12-L14 HydrophobicContact CD2-CG 3.71Å; L12-L14 HydrophobicContact CG-CD1 3.88Å; L12-L14 HydrophobicContact CG-CG 4.38Å; L12-L14 PolarHBondContact O-N 2.94Å | ||
| 13 | P | 33.9 | Very low | 52.3 | Low | 132 Ų | 132 | 83 Ų | 83 | 86% | 0.857 | 47% | 0.473 | S | S | * | . | trans | -77.1 | 61.2 | 147.6 | 35.3 | -27.7 | 0 | 0 | 0 | 107 | L11 C15 | L11-P13 WeakPolarHBondContact O-CD 3.36Å; P13-C15 PolarHBondContact O-N 2.95Å | ||
| 14 | L | 34.9 | Very low | 54.3 | Low | 122 Ų | 122 | 80.5 Ų | 80.5 | 64% | 0.639 | 46% | 0.457 | S | S | * | . | trans | -87.1 | 114 | 176 | -88.1 | 171.3 | 0 | 0 | 0 | 109.1 | L12 | L12-L14 HydrophobicContact CB-CB 4.15Å; L12-L14 HydrophobicContact CB-CD1 4.12Å; L12-L14 HydrophobicContact CB-CG 4.15Å; L12-L14 HydrophobicContact CD1-CD1 3.88Å; L12-L14 HydrophobicContact CD2-CD1 3.22Å; L12-L14 HydrophobicContact CD2-CG 3.71Å; L12-L14 HydrophobicContact CG-CD1 3.88Å; L12-L14 HydrophobicContact CG-CG 4.38Å; L12-L14 PolarHBondContact O-N 2.94Å | ||
| 15 | C | 39.1 | Very low | 56.3 | Low | 84 Ų | 84 | 77.4 Ų | 77.4 | 57% | 0.568 | 44% | 0.441 | S | S | * | . | trans | 75.1 | 87 | 156.9 | -61.5 | 0 | 0 | 0 | 0 | 116.8 | P13 A17 | P13-C15 PolarHBondContact O-N 2.95Å; C15-A17 VanDerWaalsContact C-N 3.27Å | ||
| 16 | L | 49.7 | Very low | 58 | Low | 139 Ų | 139 | 75.2 Ų | 75.2 | 73% | 0.728 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -82.9 | 5.6 | 166.9 | -77.2 | 165.1 | 0 | 0 | 0 | 114 | ||
| 17 | A | 57.7 | Low | 59.9 | Low | 14 Ų | 14 | 76 Ų | 76 | 12% | 0.116 | 43% | 0.43 | C | S | . | . | trans | -112.2 | 120.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | C15 Y20 A57 | C15-A17 VanDerWaalsContact C-N 3.27Å; A17-Y20 HydrophobicContact CB-CD1 4.37Å; A17-Y20 HydrophobicContact CB-CE1 3.63Å; A17-Y20 HydrophobicContact CB-CE2 4.48Å; A17-A57 CarbonylContact C-O 3.34Å; A17-A57 VanDerWaalsContact CA-O 3.31Å; A17-A57 WeakPolarHBondContact CA-O 3.48Å | ||
| 18 | D | 73.4 | Confident | 61.9 | Low | 58 Ų | 58 | 75.2 Ų | 75.2 | 31% | 0.31 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -92.7 | -10.9 | 178.5 | 62 | -6.7 | 0 | 0 | 0 | 112.3 | A57 P58 K187 | D18-A57 PolarHBondContact N-O 3.49Å; D18-P58 WeakPolarHBondContact OD1-CD 3.18Å; D18-K187 HydrophobicContact CB-CB 4.45Å; D18-K187 PolarHBondContact OD1-N 3.2Å; D18-K187 WeakPolarHBondContact OD2-CB 3.21Å; D18-K187 PolarHBondContact OD2-N 2.56Å |
| 19 | L | 83.6 | Confident | 64.1 | Low | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 138.5 | 178.4 | -172 | 67.5 | 0 | 0 | 0 | 111.1 | F21 A57 K187 L190 I211 A288 E290 | L19-F21 HydrophobicContact CD2-CD2 4.5Å; L19-F21 HydrophobicContact CD2-CE1 4.45Å; L19-F21 HydrophobicContact CD2-CE2 3.51Å; L19-F21 HydrophobicContact CD2-CZ 3.48Å; L19-F21 VanDerWaalsContact CD2-CZ 3.48Å; L19-F21 HydrophobicContact CG-CD2 4.46Å; L19-F21 HydrophobicContact CG-CE2 3.89Å; L19-F21 HydrophobicContact CG-CZ 4.23Å; L19-A57 HydrophobicContact CB-CB 4.18Å; L19-A57 PolarHBondContact N-O 2.95Å; L19-A57 PolarHBondContact O-N 3.26Å; L19-K187 HydrophobicContact CB-CB 4.21Å; L19-K187 HydrophobicContact CD2-CB 4.42Å; L19-L190 HydrophobicContact CD2-CD1 4.03Å; L19-I211 HydrophobicContact CD2-CD1 3.94Å; L19-I211 HydrophobicContact CD2-CG2 4.34Å; L19-A288 HydrophobicContact CD1-CB 4.15Å; L19-E290 HydrophobicContact CD1-CG 4.05Å |
| 20 | Y | 86.5 | Confident | 66.4 | Low | 5 Ų | 5 | 75 Ų | 75 | 2% | 0.02 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.1 | 176.5 | -58.4 | -82.7 | 0 | 0 | 0 | 109.7 | A17 Y54 I55 A288 T289 Y292 V295 | A17-Y20 HydrophobicContact CB-CD1 4.37Å; A17-Y20 HydrophobicContact CB-CE1 3.63Å; A17-Y20 HydrophobicContact CB-CE2 4.48Å; Y20-Y54 HydrophobicContact CD1-CD2 4.03Å; Y20-Y54 HydrophobicContact CD1-CE2 4.09Å; Y20-Y54 HydrophobicContact CE1-CE2 4.44Å; Y20-I55 WeakPolarHBondContact CA-O 3.47Å; Y20-A288 CarbonylContact O-C 3.59Å; Y20-A288 WeakPolarHBondContact O-CA 3.33Å; Y20-T289 PolarHBondContact N-O 3.35Å; Y20-T289 PolarHBondContact O-N 2.77Å; Y20-Y292 HydrophobicContact CD1-CD2 4.15Å; Y20-Y292 AromaticContact CE1-CD2 3.58Å; Y20-Y292 HydrophobicContact CE1-CD2 3.58Å; Y20-Y292 HydrophobicContact CE1-CE2 4.17Å; Y20-Y292 HydrophobicContact CE2-CD2 4.12Å; Y20-Y292 HydrophobicContact CE2-CG 4.49Å; Y20-Y292 AromaticContact CZ-CD2 3.55Å; Y20-V295 HydrophobicContact CD1-CG2 4.18Å; Y20-V295 HydrophobicContact CD2-CG2 4.27Å; Y20-V295 HydrophobicContact CG-CG2 3.77Å |
| 21 | F | 85.8 | Confident | 68.4 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 95 | 172.7 | -67.2 | -97 | 0 | 0 | 0 | 108.8 | L19 I23 Y54 I55 A57 L85 L184 L190 I211 F286 A288 | L19-F21 HydrophobicContact CD2-CD2 4.5Å; L19-F21 HydrophobicContact CD2-CE1 4.45Å; L19-F21 HydrophobicContact CD2-CE2 3.51Å; L19-F21 HydrophobicContact CD2-CZ 3.48Å; L19-F21 VanDerWaalsContact CD2-CZ 3.48Å; L19-F21 HydrophobicContact CG-CD2 4.46Å; L19-F21 HydrophobicContact CG-CE2 3.89Å; L19-F21 HydrophobicContact CG-CZ 4.23Å; F21-I23 PolarHBondContact O-N 3.4Å; F21-Y54 CarbonylContact O-C 3.53Å; F21-Y54 WeakPolarHBondContact O-CA 3.05Å; F21-Y54 WeakPolarHBondContact O-CB 3.22Å; F21-I55 HydrophobicContact CB-CB 4.37Å; F21-I55 PolarHBondContact N-O 2.82Å; F21-I55 PolarHBondContact O-N 3.36Å; F21-A57 HydrophobicContact CD2-CB 4.14Å; F21-A57 HydrophobicContact CE2-CB 3.72Å; F21-L85 HydrophobicContact CE1-CD1 3.99Å; F21-L184 HydrophobicContact CD2-CD2 4.4Å; F21-L184 HydrophobicContact CE2-CD2 4.02Å; F21-L184 HydrophobicContact CZ-CD2 4.28Å; F21-L190 HydrophobicContact CE2-CD1 4.4Å; F21-L190 HydrophobicContact CZ-CD1 3.83Å; F21-I211 HydrophobicContact CE1-CG2 4.07Å; F21-I211 HydrophobicContact CZ-CG2 4.34Å; F21-F286 HydrophobicContact CB-CB 4.5Å; F21-F286 HydrophobicContact CD1-CD1 4.24Å; F21-F286 AromaticContact CD1-CD2 3.43Å; F21-F286 HydrophobicContact CD1-CD2 3.43Å; F21-F286 VanDerWaalsContact CD1-CD2 3.43Å; F21-F286 HydrophobicContact CD1-CE1 4.31Å; F21-F286 AromaticContact CD1-CE2 3.53Å; F21-F286 HydrophobicContact CD1-CE2 3.53Å; F21-F286 AromaticContact CD1-CG 3.82Å; F21-F286 HydrophobicContact CD1-CG 3.82Å; F21-F286 AromaticContact CD1-CZ 3.99Å; F21-F286 HydrophobicContact CD1-CZ 3.99Å; F21-F286 HydrophobicContact CE1-CD2 4.05Å; F21-F286 HydrophobicContact CE1-CE1 4.45Å; F21-F286 AromaticContact CE1-CE2 3.63Å; F21-F286 HydrophobicContact CE1-CE2 3.63Å; F21-F286 AromaticContact CE1-CZ 3.87Å; F21-F286 HydrophobicContact CE1-CZ 3.87Å; F21-F286 HydrophobicContact CG-CD2 4.45Å; F21-A288 HydrophobicContact CD1-CB 4.16Å; F21-A288 HydrophobicContact CE1-CB 4.19Å |
| 22 | I | 89.5 | Confident | 70.2 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122.3 | 173.5 | -61.1 | 172 | 0 | 0 | 0 | 108.3 | E24 F286 K287 T289 D294 V295 F298 | I22-E24 PolarHBondContact O-N 3.12Å; I22-F286 CarbonylContact O-C 3.48Å; I22-F286 WeakPolarHBondContact O-CA 3.29Å; I22-F286 VanDerWaalsContact O-CB 3.31Å; I22-F286 WeakPolarHBondContact O-CB 3.19Å; I22-K287 WeakPolarHBondContact CB-O 3.44Å; I22-K287 PolarHBondContact N-O 2.8Å; I22-K287 PolarHBondContact O-N 3.12Å; I22-T289 HydrophobicContact CD1-CG2 3.88Å; I22-T289 HydrophobicContact CG1-CG2 4.32Å; I22-D294 HydrophobicContact CD1-CB 4.37Å; I22-V295 HydrophobicContact CD1-CG2 4.14Å; I22-V295 HydrophobicContact CG1-CG2 3.96Å; I22-F298 HydrophobicContact CD1-CB 4.25Å; I22-F298 HydrophobicContact CG2-CB 4.1Å; I22-F298 HydrophobicContact CG2-CD1 3.45Å; I22-F298 VanDerWaalsContact CG2-CD1 3.45Å; I22-F298 HydrophobicContact CG2-CD2 3.63Å; I22-F298 HydrophobicContact CG2-CE1 3.65Å; I22-F298 HydrophobicContact CG2-CE2 3.82Å; I22-F298 HydrophobicContact CG2-CG 3.43Å; I22-F298 VanDerWaalsContact CG2-CG 3.43Å; I22-F298 HydrophobicContact CG2-CZ 3.82Å |
| 23 | I | 86.8 | Confident | 72 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 9% | 0.092 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 108.9 | -179.5 | -59.2 | 175.3 | 0 | 0 | 0 | 108.3 | F21 L52 R53 I55 F284 F298 | F21-I23 PolarHBondContact O-N 3.4Å; I23-L52 HydrophobicContact CD1-CB 4.31Å; I23-R53 PolarHBondContact N-O 3.44Å; I23-I55 HydrophobicContact CD1-CD1 4.06Å; I23-I55 HydrophobicContact CD1-CG1 3.95Å; I23-I55 HydrophobicContact CG1-CG1 4.5Å; I23-F284 HydrophobicContact CD1-CD1 4.13Å; I23-F284 HydrophobicContact CG2-CB 4.32Å; I23-F284 HydrophobicContact CG2-CD1 3.76Å; I23-F298 WeakPolarHBondContact O-CZ 3.37Å |
| 24 | E | 84.9 | Confident | 73.8 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -43.8 | -178.6 | -62.8 | -177.1 | 143.4 | 0 | 0 | 111.2 | I22 N285 | I22-E24 PolarHBondContact O-N 3.12Å; E24-N285 PolarHBondContact N-O 2.76Å |
| 25 | N | 82 | Confident | 75.8 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 162.7 | 172.7 | 61.8 | 20 | 0 | 0 | 0 | 110.9 | F284 N285 | N25-F284 WeakPolarHBondContact O-CA 3.21Å; N25-N285 PolarHBondContact O-N 3.43Å; N25-N285 VanDerWaalsContact OD1-CB 3.23Å; N25-N285 WeakPolarHBondContact OD1-CB 2.84Å; N25-N285 PolarHBondContact OD1-ND2 3.19Å |
| 26 | A | 79.3 | Confident | 77.8 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E283 F284 | A26-E283 CarbonylContact C-O 3.57Å; A26-E283 WeakPolarHBondContact CA-O 2.9Å; A26-F284 HydrophobicContact CB-CD1 3.65Å; A26-F284 HydrophobicContact CB-CE1 3.68Å |
| 27 | K | 82.6 | Confident | 79.2 | Confident | 107 Ų | 107 | 46.6 Ų | 46.6 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.4 | 172.9 | -67 | -177.9 | -179.4 | 179.7 | 0 | 108.9 | F29 V282 E283 | K27-F29 HydrophobicContact CB-CD2 4.47Å; K27-F29 HydrophobicContact CB-CE2 3.75Å; K27-F29 HydrophobicContact CB-CZ 4.14Å; K27-F29 HydrophobicContact CD-CZ 4.3Å; K27-V282 CarbonylContact O-C 3.57Å; K27-V282 WeakPolarHBondContact O-CA 3.3Å; K27-E283 PolarHBondContact N-O 2.76Å; K27-E283 PolarHBondContact O-N 3.28Å |
| 28 | V | 78.6 | Confident | 80.3 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 108 | D39 I42 V282 | V28-D39 HydrophobicContact CB-CB 4.4Å; V28-D39 WeakPolarHBondContact CG1-OD1 3.04Å; V28-D39 HydrophobicContact CG2-CB 4.35Å; V28-I42 HydrophobicContact CG1-CD1 3.76Å; V28-V282 HydrophobicContact CG2-CG1 4.35Å; V28-V282 HydrophobicContact CG2-CG2 4.48Å |
| 29 | F | 84.7 | Confident | 80.6 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.9 | 169.8 | -61.2 | -87.9 | 0 | 0 | 0 | 108 | K27 Y280 T281 E283 | K27-F29 HydrophobicContact CB-CD2 4.47Å; K27-F29 HydrophobicContact CB-CE2 3.75Å; K27-F29 HydrophobicContact CB-CZ 4.14Å; K27-F29 HydrophobicContact CD-CZ 4.3Å; F29-Y280 CarbonylContact O-C 3.54Å; F29-Y280 WeakPolarHBondContact O-CA 3.47Å; F29-T281 PolarHBondContact N-O 3.47Å; F29-T281 PolarHBondContact O-N 3.19Å; F29-E283 HydrophobicContact CD2-CB 4.46Å; F29-E283 HydrophobicContact CE2-CB 4.03Å |
| 30 | Q | 81.5 | Confident | 80.5 | Confident | 99 Ų | 99 | 58.4 Ų | 58.4 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144 | 174.7 | 59 | 174.4 | -16.6 | 0 | 0 | 110.8 | I37 C279 Y280 | Q30-I37 PolarHBondContact OE1-O 3.44Å; Q30-C279 VanDerWaalsContact CA-O 3.25Å; Q30-C279 WeakPolarHBondContact CA-O 3.48Å; Q30-Y280 HydrophobicContact CB-CD1 3.82Å; Q30-Y280 HydrophobicContact CB-CE1 3.62Å |
| 31 | C | 78.9 | Confident | 80.4 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.8 | 162.9 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | C279 | C31-C279 HydrophobicContact CB-CB 4.48Å; C31-C279 WeakPolarHBondContact CB-SG 3.37Å; C31-C279 PolarHBondContact N-O 3.25Å; C31-C279 VanDerWaalsContact N-O 3.08Å; C31-C279 PolarHBondContact N-SG 3.46Å; C31-C279 VanDerWaalsContact SG-CA 3.56Å; C31-C279 WeakPolarHBondContact SG-CB 3.24Å; C31-C279 PolarHBondContact SG-N 3.47Å; C31-C279 CovalentContact SG-SG 2.01Å; C31-C279 PolarHBondContact SG-SG 3.26Å |
| 32 | S | 67.9 | Low | 80 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 86% | 0.86 | 33% | 0.325 | S | S | * | . | trans | -66.3 | 136.6 | 175.3 | 48.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 33 | G | 71.1 | Confident | 79.5 | Confident | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -169.1 | -169.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L35 V277 | G33-L35 PolarHBondContact O-N 3.49Å; G33-L35 VanDerWaalsContact O-N 3.09Å; G33-V277 CarbonylContact C-O 3.4Å; G33-V277 WeakPolarHBondContact CA-O 3.43Å |
| 34 | G | 72 | Confident | 79.1 | Confident | 10 Ų | 10 | 65 Ų | 65 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -67.7 | -1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K71 V277 | G34-K71 PolarHBondContact O-N 3.26Å; G34-V277 PolarHBondContact N-O 2.95Å; G34-V277 VanDerWaalsContact N-O 3.1Å |
| 35 | L | 76.9 | Confident | 78.8 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.2 | 177.2 | -71.8 | 152.9 | 0 | 0 | 0 | 110 | G33 I68 T69 V70 L74 L222 V277 A278 | G33-L35 PolarHBondContact O-N 3.49Å; G33-L35 VanDerWaalsContact O-N 3.09Å; L35-I68 HydrophobicContact CD2-CG2 3.58Å; L35-T69 CarbonylContact C-O 3.52Å; L35-T69 WeakPolarHBondContact CA-O 3.32Å; L35-V70 HydrophobicContact CD2-CB 4.11Å; L35-V70 HydrophobicContact CD2-CG2 3.31Å; L35-L74 HydrophobicContact CD1-CD1 3.89Å; L35-L74 HydrophobicContact CD2-CD1 4.22Å; L35-L74 HydrophobicContact CG-CD1 3.96Å; L35-L222 HydrophobicContact CD1-CB 4.45Å; L35-L222 HydrophobicContact CD1-CD1 4.2Å; L35-V277 WeakPolarHBondContact CB-O 3.1Å; L35-V277 HydrophobicContact CD1-CB 4.22Å; L35-V277 HydrophobicContact CD1-CG2 3.91Å; L35-V277 PolarHBondContact N-O 3.32Å; L35-V277 VanDerWaalsContact N-O 3.09Å; L35-A278 HydrophobicContact CB-CB 3.85Å; L35-A278 HydrophobicContact CD1-CB 3.38Å; L35-A278 HydrophobicContact CG-CB 4.23Å |
| 36 | D | 81.2 | Confident | 78.5 | Confident | 57 Ų | 57 | 57 Ų | 57 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.8 | 179.2 | -163.8 | -3.9 | 0 | 0 | 0 | 109.6 | T69 K71 | D36-T69 PolarHBondContact N-O 2.84Å; D36-T69 PolarHBondContact O-N 2.88Å; D36-K71 WeakPolarHBondContact OD2-CE 3.25Å; D36-K71 IonicContact OD2-NZ 2.77Å; D36-K71 PolarHBondContact OD2-NZ 3.3Å |
| 37 | I | 77.6 | Confident | 78.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | trans | -136.6 | 128.9 | 175.4 | -55.6 | 175.4 | 0 | 0 | 0 | 106 | Q30 I42 F65 I68 Y280 | Q30-I37 PolarHBondContact OE1-O 3.44Å; I37-I42 HydrophobicContact CG2-CD1 4Å; I37-I42 HydrophobicContact CG2-CG1 3.65Å; I37-F65 HydrophobicContact CD1-CB 4.36Å; I37-F65 HydrophobicContact CD1-CD1 4.23Å; I37-I68 HydrophobicContact CD1-CB 4.18Å; I37-I68 HydrophobicContact CD1-CD1 4Å; I37-I68 HydrophobicContact CD1-CG1 3.64Å; I37-I68 HydrophobicContact CD1-CG2 3.87Å; I37-I68 HydrophobicContact CG1-CB 4.04Å; I37-I68 HydrophobicContact CG1-CG1 3.91Å; I37-I68 HydrophobicContact CG1-CG2 3.81Å; I37-Y280 HydrophobicContact CB-CD1 4.49Å; I37-Y280 HydrophobicContact CB-CE1 3.59Å; I37-Y280 HydrophobicContact CB-CE2 4.28Å; I37-Y280 VanDerWaalsContact CB-CZ 3.48Å; I37-Y280 VanDerWaalsContact CB-OH 3.31Å; I37-Y280 WeakPolarHBondContact CB-OH 3.45Å; I37-Y280 HydrophobicContact CD1-CD1 4.44Å; I37-Y280 HydrophobicContact CD1-CD2 3.79Å; I37-Y280 HydrophobicContact CD1-CE1 4.03Å; I37-Y280 HydrophobicContact CD1-CE2 3.3Å; I37-Y280 HydrophobicContact CD1-CG 4.35Å; I37-Y280 VanDerWaalsContact CD1-CZ 3.45Å; I37-Y280 HydrophobicContact CG1-CE1 4.1Å; I37-Y280 HydrophobicContact CG1-CE2 3.84Å; I37-Y280 VanDerWaalsContact CG1-CZ 3.49Å; I37-Y280 VanDerWaalsContact CG1-OH 3.3Å; I37-Y280 WeakPolarHBondContact CG1-OH 3.39Å; I37-Y280 HydrophobicContact CG2-CE1 4.41Å; I37-Y280 PolarHBondContact N-OH 2.85Å | ||
| 38 | Q | 82 | Confident | 77.6 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | trans | -84.9 | 144.4 | 173.8 | -57 | -170.1 | 6.5 | 0 | 0 | 109.9 | K40 D41 | Q38-K40 HydrophobicContact CB-CG 4.07Å; Q38-K40 PolarHBondContact O-N 3.08Å; Q38-K40 VanDerWaalsContact O-N 3.07Å; Q38-D41 PolarHBondContact O-N 3.12Å | ||
| 39 | D | 78.2 | Confident | 77.3 | Confident | 82 Ų | 82 | 58.1 Ų | 58.1 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -51.2 | -37.2 | 179.2 | -64.5 | -3.8 | 0 | 0 | 0 | 112.7 | V28 D41 I42 | V28-D39 HydrophobicContact CB-CB 4.4Å; V28-D39 WeakPolarHBondContact CG1-OD1 3.04Å; V28-D39 HydrophobicContact CG2-CB 4.35Å; D39-D41 PolarHBondContact O-N 3.1Å; D39-I42 PolarHBondContact O-N 3.05Å; D39-I42 VanDerWaalsContact O-N 3.09Å |
| 40 | K | 83.1 | Confident | 76.9 | Confident | 143 Ų | 143 | 56.3 Ų | 56.3 | 62% | 0.622 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -64.1 | -23 | 178.2 | 75.2 | -173.1 | -172.3 | -158.7 | 0 | 114.4 | Q38 I42 | Q38-K40 HydrophobicContact CB-CG 4.07Å; Q38-K40 PolarHBondContact O-N 3.08Å; Q38-K40 VanDerWaalsContact O-N 3.07Å; K40-I42 VanDerWaalsContact C-N 3.34Å |
| 41 | D | 83.1 | Confident | 76.9 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -91.3 | -3.6 | 179.8 | -62.5 | -59.9 | 0 | 0 | 0 | 111.1 | Q38 D39 G66 K67 | Q38-D41 PolarHBondContact O-N 3.12Å; D39-D41 PolarHBondContact O-N 3.1Å; D41-G66 WeakPolarHBondContact CB-O 3.29Å; D41-G66 WeakPolarHBondContact O-CA 3.39Å; D41-G66 PolarHBondContact O-N 2.99Å; D41-K67 HydrophobicContact CB-CB 4.4Å; D41-K67 WeakPolarHBondContact OD1-CD 3.38Å; D41-K67 IonicContact OD1-NZ 2.79Å |
| 42 | I | 78.1 | Confident | 76.9 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.1 | 170.9 | -55.3 | 176.8 | 0 | 0 | 0 | 108.6 | V28 I37 D39 K40 N64 F65 Y280 V282 | V28-I42 HydrophobicContact CG1-CD1 3.76Å; I37-I42 HydrophobicContact CG2-CD1 4Å; I37-I42 HydrophobicContact CG2-CG1 3.65Å; D39-I42 PolarHBondContact O-N 3.05Å; D39-I42 VanDerWaalsContact O-N 3.09Å; K40-I42 VanDerWaalsContact C-N 3.34Å; I42-N64 CarbonylContact C-O 3.5Å; I42-N64 WeakPolarHBondContact CA-O 3.12Å; I42-F65 HydrophobicContact CD1-CD1 4.12Å; I42-F65 HydrophobicContact CD1-CE1 4.27Å; I42-F65 HydrophobicContact CG1-CD1 3.97Å; I42-F65 HydrophobicContact CG1-CE1 4.49Å; I42-F65 HydrophobicContact CG2-CD1 4.23Å; I42-F65 HydrophobicContact CG2-CE1 4.2Å; I42-Y280 HydrophobicContact CD1-CD1 3.9Å; I42-Y280 HydrophobicContact CD1-CE1 4.48Å; I42-V282 HydrophobicContact CG2-CG2 3.9Å |
| 43 | R | 78.7 | Confident | 77.7 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 42% | 0.419 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.6 | 179.3 | -66.7 | -174.5 | 64.6 | -157.3 | -4.1 | 111.2 | T45 G49 D51 I63 N64 | R43-T45 HydrophobicContact CB-CG2 4.26Å; R43-G49 PolarHBondContact NH2-O 3.27Å; R43-D51 IonicContact CZ-OD1 3.18Å; R43-D51 IonicContact NE-OD1 2.78Å; R43-D51 PolarHBondContact NE-OD1 3.47Å; R43-D51 VanDerWaalsContact NE-OD1 3.17Å; R43-D51 IonicContact NH2-OD1 3.06Å; R43-D51 PolarHBondContact NH2-OD1 3.05Å; R43-D51 IonicContact NH2-OD2 2.66Å; R43-I63 WeakPolarHBondContact O-CA 2.9Å; R43-N64 HydrophobicContact CB-CB 4.49Å; R43-N64 PolarHBondContact N-O 2.83Å; R43-N64 PolarHBondContact O-N 3.17Å |
| 44 | V | 78.6 | Confident | 78.5 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.7 | 169.6 | 175.9 | 0 | 0 | 0 | 0 | 109 | L52 F61 V62 I63 F284 | V44-L52 HydrophobicContact CG1-CD1 4.04Å; V44-L52 PolarHBondContact O-N 3.16Å; V44-L52 VanDerWaalsContact O-N 3.1Å; V44-F61 HydrophobicContact CG1-CD2 3.71Å; V44-F61 HydrophobicContact CG1-CE2 4.2Å; V44-V62 CarbonylContact C-O 3.55Å; V44-V62 WeakPolarHBondContact CA-O 3.35Å; V44-I63 HydrophobicContact CG2-CB 4.4Å; V44-I63 HydrophobicContact CG2-CG1 3.93Å; V44-I63 HydrophobicContact CG2-CG2 4.16Å; V44-F284 HydrophobicContact CB-CE1 4.28Å; V44-F284 HydrophobicContact CB-CZ 4Å; V44-F284 HydrophobicContact CG1-CZ 4.25Å; V44-F284 HydrophobicContact CG2-CE1 4.16Å; V44-F284 HydrophobicContact CG2-CE2 4.31Å; V44-F284 HydrophobicContact CG2-CZ 3.43Å; V44-F284 VanDerWaalsContact CG2-CZ 3.43Å |
| 45 | T | 79.1 | Confident | 79 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 163.6 | -172 | 67.6 | 0 | 0 | 0 | 0 | 111 | R43 R50 L52 V62 | R43-T45 HydrophobicContact CB-CG2 4.26Å; T45-R50 CarbonylContact C-O 3.58Å; T45-R50 WeakPolarHBondContact CA-O 3.2Å; T45-R50 VanDerWaalsContact CB-O 3.27Å; T45-R50 WeakPolarHBondContact CB-O 3.07Å; T45-L52 WeakPolarHBondContact O-CD1 3.25Å; T45-V62 PolarHBondContact N-O 3.3Å; T45-V62 PolarHBondContact O-N 3.2Å |
| 46 | D | 74.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | trans | -70 | -179.9 | 162.7 | 67.9 | 7.5 | 0 | 0 | 0 | 111.5 | R48 G49 R50 L52 S310 | D46-R48 PolarHBondContact O-N 3.12Å; D46-R48 VanDerWaalsContact O-N 3.16Å; D46-R48 WeakPolarHBondContact OD1-CA 3.35Å; D46-R48 VanDerWaalsContact OD1-CB 3.32Å; D46-R48 WeakPolarHBondContact OD1-CB 3.38Å; D46-R48 PolarHBondContact OD1-N 3.11Å; D46-R48 IonicContact OD2-NE 3.66Å; D46-G49 PolarHBondContact O-N 3.47Å; D46-G49 VanDerWaalsContact O-N 3.07Å; D46-G49 PolarHBondContact OD1-N 3.15Å; D46-R50 PolarHBondContact N-O 3.05Å; D46-R50 PolarHBondContact OD1-N 3.29Å; D46-R50 IonicContact OD1-NE 3.35Å; D46-R50 IonicContact OD2-CZ 3.71Å; D46-R50 IonicContact OD2-NE 3.17Å; D46-R50 PolarHBondContact OD2-NE 2.9Å; D46-R50 IonicContact OD2-NH2 2.73Å; D46-R50 PolarHBondContact OD2-NH2 2Å; D46-L52 HydrophobicContact CB-CD2 3.97Å; D46-L52 HydrophobicContact CB-CG 4.31Å; D46-S310 WeakPolarHBondContact CB-OG 3.37Å; D46-S310 PolarHBondContact OD2-OG 2.97Å | ||
| 47 | T | 70.5 | Confident | 79.2 | Confident | 60 Ų | 60 | 50 Ų | 50 | 37% | 0.368 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12 | 174 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | D60 V62 | T47-D60 HydrophobicContact CG2-CB 4.1Å; T47-V62 HydrophobicContact CG2-CG2 4.5Å |
| 48 | R | 72.7 | Confident | 79.2 | Confident | 131 Ų | 131 | 52.5 Ų | 52.5 | 49% | 0.494 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 1.1 | 175.8 | -58.5 | -173.5 | -80.5 | -168.4 | -12.4 | 112.9 | D46 R50 P311 | D46-R48 PolarHBondContact O-N 3.12Å; D46-R48 VanDerWaalsContact O-N 3.16Å; D46-R48 WeakPolarHBondContact OD1-CA 3.35Å; D46-R48 VanDerWaalsContact OD1-CB 3.32Å; D46-R48 WeakPolarHBondContact OD1-CB 3.38Å; D46-R48 PolarHBondContact OD1-N 3.11Å; D46-R48 IonicContact OD2-NE 3.66Å; R48-R50 HydrophobicContact CB-CG 4.47Å; R48-R50 VanDerWaalsContact CZ-NH2 3.32Å; R48-P311 VanDerWaalsContact CZ-CD 3.48Å |
| 49 | G | 73.6 | Confident | 78.7 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 82.3 | 12 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R43 D46 | R43-G49 PolarHBondContact NH2-O 3.27Å; D46-G49 PolarHBondContact O-N 3.47Å; D46-G49 VanDerWaalsContact O-N 3.07Å; D46-G49 PolarHBondContact OD1-N 3.15Å |
| 50 | R | 76.3 | Confident | 78.5 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -89.7 | 136.8 | 178.1 | -55.8 | 178.2 | -60 | 160.9 | 22.3 | 110.2 | T45 D46 R48 L52 S307 | T45-R50 CarbonylContact C-O 3.58Å; T45-R50 WeakPolarHBondContact CA-O 3.2Å; T45-R50 VanDerWaalsContact CB-O 3.27Å; T45-R50 WeakPolarHBondContact CB-O 3.07Å; D46-R50 PolarHBondContact N-O 3.05Å; D46-R50 PolarHBondContact OD1-N 3.29Å; D46-R50 IonicContact OD1-NE 3.35Å; D46-R50 IonicContact OD2-CZ 3.71Å; D46-R50 IonicContact OD2-NE 3.17Å; D46-R50 PolarHBondContact OD2-NE 2.9Å; D46-R50 IonicContact OD2-NH2 2.73Å; D46-R50 PolarHBondContact OD2-NH2 2Å; R48-R50 HydrophobicContact CB-CG 4.47Å; R48-R50 VanDerWaalsContact CZ-NH2 3.32Å; R50-L52 PolarHBondContact O-N 3.3Å; R50-S307 VanDerWaalsContact CZ-CB 3.47Å; R50-S307 VanDerWaalsContact CZ-O 3.28Å; R50-S307 PolarHBondContact NH1-O 3.41Å; R50-S307 PolarHBondContact NH2-O 2.83Å |
| 51 | D | 80.3 | Confident | 78.1 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -60.6 | 133.1 | -178.8 | -67.2 | -26.3 | 0 | 0 | 0 | 111.1 | R43 | R43-D51 IonicContact CZ-OD1 3.18Å; R43-D51 IonicContact NE-OD1 2.78Å; R43-D51 PolarHBondContact NE-OD1 3.47Å; R43-D51 VanDerWaalsContact NE-OD1 3.17Å; R43-D51 IonicContact NH2-OD1 3.06Å; R43-D51 PolarHBondContact NH2-OD1 3.05Å; R43-D51 IonicContact NH2-OD2 2.66Å |
| 52 | L | 78.8 | Confident | 77.7 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 12% | 0.12 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 127.9 | -177.1 | -77 | 163.1 | 0 | 0 | 0 | 111.6 | I23 V44 T45 D46 R50 Y54 I55 F61 | I23-L52 HydrophobicContact CD1-CB 4.31Å; V44-L52 HydrophobicContact CG1-CD1 4.04Å; V44-L52 PolarHBondContact O-N 3.16Å; V44-L52 VanDerWaalsContact O-N 3.1Å; T45-L52 WeakPolarHBondContact O-CD1 3.25Å; D46-L52 HydrophobicContact CB-CD2 3.97Å; D46-L52 HydrophobicContact CB-CG 4.31Å; R50-L52 PolarHBondContact O-N 3.3Å; L52-Y54 WeakPolarHBondContact CD2-O 3.34Å; L52-I55 HydrophobicContact CD1-CG1 4.38Å; L52-F61 HydrophobicContact CD1-CB 3.25Å; L52-F61 HydrophobicContact CD1-CG 4.19Å |
| 53 | R | 85.6 | Confident | 77.6 | Confident | 103 Ų | 103 | 39.3 Ų | 39.3 | 39% | 0.389 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -104.2 | -17.3 | 169.4 | -57.8 | -57.2 | 178.6 | -168.4 | -3.1 | 112.6 | I23 F298 L299 F304 | I23-R53 PolarHBondContact N-O 3.44Å; R53-F298 HydrophobicContact CB-CE1 4.32Å; R53-L299 HydrophobicContact CB-CD2 3.78Å; R53-L299 HydrophobicContact CG-CD2 4.26Å; R53-F304 HydrophobicContact CB-CD2 4.5Å; R53-F304 HydrophobicContact CG-CB 4.36Å; R53-F304 HydrophobicContact CG-CD2 4.09Å; R53-F304 HydrophobicContact CG-CG 4.11Å |
| 54 | Y | 87.1 | Confident | 77.5 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 156 | 170.5 | 66.2 | -82.2 | 0 | 0 | 0 | 108.6 | Y20 F21 L52 Y292 V295 L299 G308 P309 | Y20-Y54 HydrophobicContact CD1-CD2 4.03Å; Y20-Y54 HydrophobicContact CD1-CE2 4.09Å; Y20-Y54 HydrophobicContact CE1-CE2 4.44Å; F21-Y54 CarbonylContact O-C 3.53Å; F21-Y54 WeakPolarHBondContact O-CA 3.05Å; F21-Y54 WeakPolarHBondContact O-CB 3.22Å; L52-Y54 WeakPolarHBondContact CD2-O 3.34Å; Y54-Y292 HydrophobicContact CE2-CE2 4.09Å; Y54-Y292 AromaticContact CZ-CE2 3.96Å; Y54-Y292 WeakPolarHBondContact OH-CE2 3.49Å; Y54-Y292 PolarHBondContact OH-OH 2.9Å; Y54-Y292 VanDerWaalsContact OH-OH 3.12Å; Y54-V295 HydrophobicContact CD1-CG1 3.41Å; Y54-V295 VanDerWaalsContact CD1-CG1 3.41Å; Y54-V295 HydrophobicContact CD2-CG1 3.84Å; Y54-V295 HydrophobicContact CE1-CG1 3.6Å; Y54-V295 HydrophobicContact CE2-CG1 4.02Å; Y54-V295 HydrophobicContact CG-CG1 3.51Å; Y54-L299 HydrophobicContact CD1-CD1 4.4Å; Y54-L299 HydrophobicContact CD1-CD2 4.42Å; Y54-L299 HydrophobicContact CE1-CD1 3.97Å; Y54-G308 PolarHBondContact OH-O 2.04Å; Y54-P309 WeakPolarHBondContact OH-CA 3.49Å |
| 55 | I | 82.1 | Confident | 77.4 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.8 | 175.8 | -47.6 | 167.1 | 0 | 0 | 0 | 108.3 | Y20 F21 I23 L52 F61 L184 | Y20-I55 WeakPolarHBondContact CA-O 3.47Å; F21-I55 HydrophobicContact CB-CB 4.37Å; F21-I55 PolarHBondContact N-O 2.82Å; F21-I55 PolarHBondContact O-N 3.36Å; I23-I55 HydrophobicContact CD1-CD1 4.06Å; I23-I55 HydrophobicContact CD1-CG1 3.95Å; I23-I55 HydrophobicContact CG1-CG1 4.5Å; L52-I55 HydrophobicContact CD1-CG1 4.38Å; I55-F61 HydrophobicContact CD1-CD1 3.98Å; I55-F61 HydrophobicContact CD1-CE1 4.12Å; I55-F61 HydrophobicContact CD1-CG 4.28Å; I55-F61 HydrophobicContact CG2-CB 4.49Å; I55-F61 HydrophobicContact CG2-CD1 3.96Å; I55-L184 HydrophobicContact CB-CD1 3.93Å; I55-L184 HydrophobicContact CD1-CD1 3.92Å; I55-L184 HydrophobicContact CG2-CD1 3.36Å |
| 56 | S | 84.1 | Confident | 77.2 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 11% | 0.105 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.1 | 173.1 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | P58 G59 | S56-P58 CarbonylContact O-C 3.51Å; S56-G59 WeakPolarHBondContact O-CA 3Å; S56-G59 PolarHBondContact O-N 3.13Å |
| 57 | A | 78.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | A17 D18 L19 F21 L184 | A17-A57 CarbonylContact C-O 3.34Å; A17-A57 VanDerWaalsContact CA-O 3.31Å; A17-A57 WeakPolarHBondContact CA-O 3.48Å; D18-A57 PolarHBondContact N-O 3.49Å; L19-A57 HydrophobicContact CB-CB 4.18Å; L19-A57 PolarHBondContact N-O 2.95Å; L19-A57 PolarHBondContact O-N 3.26Å; F21-A57 HydrophobicContact CD2-CB 4.14Å; F21-A57 HydrophobicContact CE2-CB 3.72Å; A57-L184 HydrophobicContact CB-CB 4.43Å |
| 58 | P | 77.9 | Confident | 77.9 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 36% | 0.357 | 20% | 0.2 | S | C | . | . | S | Bend | cis | -62.3 | 147.5 | -13.5 | 29.4 | -34.1 | 0 | 0 | 0 | 111.1 | D18 S56 L184 | D18-P58 WeakPolarHBondContact OD1-CD 3.18Å; S56-P58 CarbonylContact O-C 3.51Å; P58-L184 WeakPolarHBondContact CA-O 3.42Å |
| 59 | G | 71.7 | Confident | 78.4 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 164.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S56 L184 | S56-G59 WeakPolarHBondContact O-CA 3Å; S56-G59 PolarHBondContact O-N 3.13Å; G59-L184 PolarHBondContact N-O 3.15Å; G59-L184 PolarHBondContact O-N 2.91Å |
| 60 | D | 74.2 | Confident | 78.8 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 32% | 0.316 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.9 | -177.9 | -76.1 | -11.9 | 0 | 0 | 0 | 111.6 | T47 T181 V182 S183 | T47-D60 HydrophobicContact CG2-CB 4.1Å; D60-T181 HydrophobicContact CB-CG2 3.78Å; D60-V182 VanDerWaalsContact CA-O 3.32Å; D60-V182 WeakPolarHBondContact CA-O 3.45Å; D60-S183 VanDerWaalsContact OD1-CA 3.23Å; D60-S183 WeakPolarHBondContact OD1-CA 3.46Å; D60-S183 WeakPolarHBondContact OD1-CB 3.27Å; D60-S183 PolarHBondContact OD1-OG 3.43Å |
| 61 | F | 74.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.5 | 166.6 | 67.5 | -85.6 | 0 | 0 | 0 | 110.9 | V44 L52 I55 I63 T181 V182 L184 F216 V218 | V44-F61 HydrophobicContact CG1-CD2 3.71Å; V44-F61 HydrophobicContact CG1-CE2 4.2Å; L52-F61 HydrophobicContact CD1-CB 3.25Å; L52-F61 HydrophobicContact CD1-CG 4.19Å; I55-F61 HydrophobicContact CD1-CD1 3.98Å; I55-F61 HydrophobicContact CD1-CE1 4.12Å; I55-F61 HydrophobicContact CD1-CG 4.28Å; I55-F61 HydrophobicContact CG2-CB 4.49Å; I55-F61 HydrophobicContact CG2-CD1 3.96Å; F61-I63 HydrophobicContact CD2-CG1 4.1Å; F61-I63 HydrophobicContact CE2-CD1 3.86Å; F61-I63 HydrophobicContact CE2-CG1 3.74Å; F61-T181 CarbonylContact O-C 3.6Å; F61-T181 WeakPolarHBondContact O-CA 3.18Å; F61-V182 HydrophobicContact CD1-CB 4.07Å; F61-V182 HydrophobicContact CD1-CG1 4.4Å; F61-V182 HydrophobicContact CD2-CB 4.24Å; F61-V182 HydrophobicContact CE1-CB 3.51Å; F61-V182 HydrophobicContact CE1-CG1 3.47Å; F61-V182 VanDerWaalsContact CE1-CG1 3.47Å; F61-V182 HydrophobicContact CE1-CG2 4.48Å; F61-V182 HydrophobicContact CE2-CB 3.73Å; F61-V182 HydrophobicContact CE2-CG1 4.27Å; F61-V182 HydrophobicContact CE2-CG2 3.85Å; F61-V182 HydrophobicContact CG-CB 4.39Å; F61-V182 HydrophobicContact CZ-CB 3.3Å; F61-V182 HydrophobicContact CZ-CG1 3.37Å; F61-V182 HydrophobicContact CZ-CG2 3.79Å; F61-V182 PolarHBondContact N-O 2.84Å; F61-V182 PolarHBondContact O-N 2.91Å; F61-L184 HydrophobicContact CD1-CD1 3.89Å; F61-L184 HydrophobicContact CE1-CD1 3.64Å; F61-L184 HydrophobicContact CE1-CG 4.23Å; F61-F216 AromaticContact CE1-CE1 3.89Å; F61-F216 HydrophobicContact CE1-CE1 3.89Å; F61-F216 AromaticContact CE1-CZ 3.62Å; F61-F216 HydrophobicContact CE1-CZ 3.62Å; F61-F216 HydrophobicContact CE2-CE1 4.07Å; F61-F216 HydrophobicContact CE2-CZ 4.46Å; F61-F216 AromaticContact CZ-CE1 3.28Å; F61-F216 HydrophobicContact CZ-CE1 3.28Å; F61-F216 AromaticContact CZ-CZ 3.32Å; F61-F216 HydrophobicContact CZ-CZ 3.32Å; F61-V218 HydrophobicContact CE2-CG2 4.43Å; F61-V218 HydrophobicContact CZ-CG2 4.28Å |
| 62 | V | 75.4 | Confident | 79.4 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.4 | -172.5 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | V44 T45 T47 T179 R180 T181 | V44-V62 CarbonylContact C-O 3.55Å; V44-V62 WeakPolarHBondContact CA-O 3.35Å; T45-V62 PolarHBondContact N-O 3.3Å; T45-V62 PolarHBondContact O-N 3.2Å; T47-V62 HydrophobicContact CG2-CG2 4.5Å; V62-T179 HydrophobicContact CG1-CG2 3.3Å; V62-R180 CarbonylContact C-O 3.56Å; V62-R180 WeakPolarHBondContact CA-O 3.32Å; V62-T181 HydrophobicContact CG2-CG2 4.43Å |
| 63 | I | 75 | Confident | 79.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.3 | 170.8 | -51.3 | 179.4 | 0 | 0 | 0 | 107.8 | R43 V44 F61 F65 T179 R180 V182 V218 | R43-I63 WeakPolarHBondContact O-CA 2.9Å; V44-I63 HydrophobicContact CG2-CB 4.4Å; V44-I63 HydrophobicContact CG2-CG1 3.93Å; V44-I63 HydrophobicContact CG2-CG2 4.16Å; F61-I63 HydrophobicContact CD2-CG1 4.1Å; F61-I63 HydrophobicContact CE2-CD1 3.86Å; F61-I63 HydrophobicContact CE2-CG1 3.74Å; I63-F65 HydrophobicContact CB-CE2 4.31Å; I63-F65 HydrophobicContact CG2-CD2 4.01Å; I63-F65 HydrophobicContact CG2-CE1 4.45Å; I63-F65 HydrophobicContact CG2-CE2 3.46Å; I63-F65 VanDerWaalsContact CG2-CE2 3.46Å; I63-F65 HydrophobicContact CG2-CZ 3.71Å; I63-T179 CarbonylContact O-C 3.6Å; I63-T179 VanDerWaalsContact O-CA 3.31Å; I63-T179 WeakPolarHBondContact O-CA 3.2Å; I63-R180 PolarHBondContact N-O 3.49Å; I63-R180 PolarHBondContact O-N 2.89Å; I63-V182 HydrophobicContact CD1-CG2 3.84Å; I63-V182 HydrophobicContact CG1-CG2 4.17Å; I63-V218 HydrophobicContact CD1-CB 3.58Å; I63-V218 HydrophobicContact CD1-CG1 3.27Å; I63-V218 HydrophobicContact CD1-CG2 3.68Å |
| 64 | N | 76.1 | Confident | 79.2 | Confident | 49 Ų | 49 | 34.7 Ų | 34.7 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.7 | 173.2 | -175.4 | -87.8 | 0 | 0 | 0 | 108.8 | I42 R43 G66 T179 | I42-N64 CarbonylContact C-O 3.5Å; I42-N64 WeakPolarHBondContact CA-O 3.12Å; R43-N64 HydrophobicContact CB-CB 4.49Å; R43-N64 PolarHBondContact N-O 2.83Å; R43-N64 PolarHBondContact O-N 3.17Å; N64-G66 PolarHBondContact OD1-N 2.92Å; N64-T179 PolarHBondContact ND2-OG1 3.47Å |
| 65 | F | 76.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 94 | 165.2 | -59.1 | -91.8 | 0 | 0 | 0 | 107 | I37 I42 I63 I68 S177 L178 L220 | I37-F65 HydrophobicContact CD1-CB 4.36Å; I37-F65 HydrophobicContact CD1-CD1 4.23Å; I42-F65 HydrophobicContact CD1-CD1 4.12Å; I42-F65 HydrophobicContact CD1-CE1 4.27Å; I42-F65 HydrophobicContact CG1-CD1 3.97Å; I42-F65 HydrophobicContact CG1-CE1 4.49Å; I42-F65 HydrophobicContact CG2-CD1 4.23Å; I42-F65 HydrophobicContact CG2-CE1 4.2Å; I63-F65 HydrophobicContact CB-CE2 4.31Å; I63-F65 HydrophobicContact CG2-CD2 4.01Å; I63-F65 HydrophobicContact CG2-CE1 4.45Å; I63-F65 HydrophobicContact CG2-CE2 3.46Å; I63-F65 VanDerWaalsContact CG2-CE2 3.46Å; I63-F65 HydrophobicContact CG2-CZ 3.71Å; F65-I68 HydrophobicContact CB-CD1 3.76Å; F65-I68 HydrophobicContact CB-CG1 4.1Å; F65-S177 WeakPolarHBondContact O-CA 3.27Å; F65-L178 HydrophobicContact CB-CB 4.21Å; F65-L178 HydrophobicContact CD2-CB 4.36Å; F65-L178 HydrophobicContact CD2-CD2 4.04Å; F65-L178 HydrophobicContact CD2-CG 4.29Å; F65-L178 HydrophobicContact CE2-CD2 4.48Å; F65-L178 PolarHBondContact N-O 3.3Å; F65-L178 PolarHBondContact O-N 3.28Å; F65-L220 HydrophobicContact CZ-CB 4.45Å |
| 66 | G | 75.4 | Confident | 78 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 154.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D41 N64 I68 | D41-G66 WeakPolarHBondContact CB-O 3.29Å; D41-G66 WeakPolarHBondContact O-CA 3.39Å; D41-G66 PolarHBondContact O-N 2.99Å; N64-G66 PolarHBondContact OD1-N 2.92Å; G66-I68 VanDerWaalsContact C-N 3.3Å; G66-I68 PolarHBondContact O-N 3.4Å; G66-I68 VanDerWaalsContact O-N 3.12Å |
| 67 | K | 82.7 | Confident | 77.3 | Confident | 126 Ų | 126 | 39 Ų | 39 | 55% | 0.548 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 42.1 | 168.8 | -59.3 | -175 | -170.8 | 155.9 | 0 | 116.2 | D41 T69 T175 Y176 | D41-K67 HydrophobicContact CB-CB 4.4Å; D41-K67 WeakPolarHBondContact OD1-CD 3.38Å; D41-K67 IonicContact OD1-NZ 2.79Å; K67-T69 PolarHBondContact O-N 3.23Å; K67-T69 PolarHBondContact O-OG1 3.4Å; K67-T175 VanDerWaalsContact CA-CG2 3.46Å; K67-T175 HydrophobicContact CB-CG2 3.98Å; K67-T175 HydrophobicContact CG-CG2 4.39Å; K67-Y176 CarbonylContact C-O 3.53Å; K67-Y176 WeakPolarHBondContact CA-O 3.29Å; K67-Y176 PolarHBondContact N-O 2.77Å |
| 68 | I | 77.5 | Confident | 76.8 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 104.9 | 174.4 | -46.2 | -176.9 | 0 | 0 | 0 | 109.7 | L35 I37 F65 G66 T175 Y176 L178 | L35-I68 HydrophobicContact CD2-CG2 3.58Å; I37-I68 HydrophobicContact CD1-CB 4.18Å; I37-I68 HydrophobicContact CD1-CD1 4Å; I37-I68 HydrophobicContact CD1-CG1 3.64Å; I37-I68 HydrophobicContact CD1-CG2 3.87Å; I37-I68 HydrophobicContact CG1-CB 4.04Å; I37-I68 HydrophobicContact CG1-CG1 3.91Å; I37-I68 HydrophobicContact CG1-CG2 3.81Å; F65-I68 HydrophobicContact CB-CD1 3.76Å; F65-I68 HydrophobicContact CB-CG1 4.1Å; G66-I68 VanDerWaalsContact C-N 3.3Å; G66-I68 PolarHBondContact O-N 3.4Å; G66-I68 VanDerWaalsContact O-N 3.12Å; I68-T175 CarbonylContact O-C 3.52Å; I68-T175 VanDerWaalsContact O-CA 3.27Å; I68-T175 WeakPolarHBondContact O-CA 3.32Å; I68-Y176 PolarHBondContact N-O 2.92Å; I68-Y176 PolarHBondContact O-N 3.25Å; I68-L178 HydrophobicContact CD1-CB 3.74Å |
| 69 | T | 83 | Confident | 76.3 | Confident | 53 Ų | 53 | 38 Ų | 38 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 113 | -177.2 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | L35 D36 K67 | L35-T69 CarbonylContact C-O 3.52Å; L35-T69 WeakPolarHBondContact CA-O 3.32Å; D36-T69 PolarHBondContact N-O 2.84Å; D36-T69 PolarHBondContact O-N 2.88Å; K67-T69 PolarHBondContact O-N 3.23Å; K67-T69 PolarHBondContact O-OG1 3.4Å |
| 70 | V | 82.5 | Confident | 76 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.3 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | L35 K72 L74 I171 A172 P173 K174 Y176 | L35-V70 HydrophobicContact CD2-CB 4.11Å; L35-V70 HydrophobicContact CD2-CG2 3.31Å; V70-K72 WeakPolarHBondContact CG1-O 3.02Å; V70-L74 HydrophobicContact CG1-CD1 4.06Å; V70-L74 HydrophobicContact CG1-CG 3.99Å; V70-I171 HydrophobicContact CB-CG2 4.35Å; V70-I171 HydrophobicContact CG1-CG2 4.19Å; V70-I171 HydrophobicContact CG2-CG2 3.53Å; V70-A172 WeakPolarHBondContact CB-O 3.44Å; V70-A172 WeakPolarHBondContact CG1-O 3.48Å; V70-P173 CarbonylContact O-C 3.58Å; V70-P173 WeakPolarHBondContact O-CA 3.49Å; V70-K174 WeakPolarHBondContact CB-O 3.41Å; V70-K174 PolarHBondContact N-O 3.23Å; V70-K174 PolarHBondContact O-N 3.4Å; V70-Y176 HydrophobicContact CB-CE2 4.34Å; V70-Y176 HydrophobicContact CG2-CD2 3.64Å; V70-Y176 HydrophobicContact CG2-CE2 3.69Å |
| 71 | K | 85.1 | Confident | 75.6 | Confident | 127 Ų | 127 | 38.6 Ų | 38.6 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | trans | -86.4 | -21.5 | -175 | -67.7 | 177 | 174.6 | 164.1 | 0 | 113.7 | G34 D36 | G34-K71 PolarHBondContact O-N 3.26Å; D36-K71 WeakPolarHBondContact OD2-CE 3.25Å; D36-K71 IonicContact OD2-NZ 2.77Å; D36-K71 PolarHBondContact OD2-NZ 3.3Å | ||
| 72 | K | 84.3 | Confident | 75.2 | Confident | 97 Ų | 97 | 38.6 Ų | 38.6 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -147.3 | 155.9 | -177.7 | 62.7 | 179.8 | -177.2 | 177.7 | 0 | 110.2 | V70 L74 | V70-K72 WeakPolarHBondContact CG1-O 3.02Å; K72-L74 HydrophobicContact CG-CD2 4.14Å; K72-L74 PolarHBondContact O-N 3.4Å |
| 73 | S | 81.4 | Confident | 74.8 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 42% | 0.42 | 20% | 0.195 | S | C | . | . | trans | -55.7 | 129.9 | 173.3 | -95.4 | 0 | 0 | 0 | 0 | 109.8 | I171 | S73-I171 WeakPolarHBondContact CA-O 3.49Š| ||
| 74 | L | 77.8 | Confident | 74.7 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.5 | 175 | -58.8 | -179 | 0 | 0 | 0 | 108.2 | L35 V70 K72 I77 E170 I171 V277 | L35-L74 HydrophobicContact CD1-CD1 3.89Å; L35-L74 HydrophobicContact CD2-CD1 4.22Å; L35-L74 HydrophobicContact CG-CD1 3.96Å; V70-L74 HydrophobicContact CG1-CD1 4.06Å; V70-L74 HydrophobicContact CG1-CG 3.99Å; K72-L74 HydrophobicContact CG-CD2 4.14Å; K72-L74 PolarHBondContact O-N 3.4Å; L74-I77 HydrophobicContact CB-CD1 3.67Å; L74-I77 HydrophobicContact CB-CG1 4.11Å; L74-E170 CarbonylContact O-C 3.57Å; L74-E170 VanDerWaalsContact O-CA 3.3Å; L74-E170 WeakPolarHBondContact O-CA 3.1Å; L74-I171 HydrophobicContact CB-CB 4.31Å; L74-I171 PolarHBondContact N-O 3.19Å; L74-I171 PolarHBondContact O-N 3.3Å; L74-V277 HydrophobicContact CD1-CB 4.37Å; L74-V277 HydrophobicContact CD1-CG2 4.04Å; L74-V277 HydrophobicContact CD2-CB 4.19Å; L74-V277 HydrophobicContact CD2-CG1 3.83Å; L74-V277 HydrophobicContact CD2-CG2 4.45Å |
| 75 | Q | 74.9 | Confident | 74.5 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 159.1 | 178.4 | -64.5 | -178.1 | -5.1 | 0 | 0 | 110.1 | I77 A169 E170 S224 S225 | Q75-I77 PolarHBondContact O-N 3.07Å; Q75-A169 CarbonylContact C-O 3.58Å; Q75-A169 WeakPolarHBondContact CA-O 3.22Å; Q75-E170 HydrophobicContact CG-CG 4.12Å; Q75-E170 PolarHBondContact NE2-OE1 2.68Å; Q75-S224 PolarHBondContact N-OG 3.29Å; Q75-S224 VanDerWaalsContact N-OG 3.13Å; Q75-S224 PolarHBondContact O-OG 2.92Å; Q75-S225 CarbonylContact C-O 3.57Å; Q75-S225 VanDerWaalsContact C-O 3.25Å; Q75-S225 PolarHBondContact O-N 2.77Å |
| 76 | N | 70.3 | Confident | 74.3 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 48.3 | 57.7 | 174.3 | -49.9 | -67.3 | 0 | 0 | 0 | 112.3 | A169 S225 N227 A228 | N76-A169 PolarHBondContact N-O 3.49Å; N76-S225 WeakPolarHBondContact CB-O 3.27Å; N76-S225 PolarHBondContact ND2-O 3.38Å; N76-N227 PolarHBondContact ND2-O 3.33Å; N76-N227 VanDerWaalsContact ND2-O 3.1Å; N76-A228 PolarHBondContact ND2-N 2.86Å; N76-A228 WeakPolarHBondContact OD1-CA 3.24Å |
| 77 | I | 68.9 | Low | 73.9 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | trans | -83.6 | 131.2 | -169.9 | -54.8 | 178.7 | 0 | 0 | 0 | 109.9 | L74 Q75 I171 L222 K223 | L74-I77 HydrophobicContact CB-CD1 3.67Å; L74-I77 HydrophobicContact CB-CG1 4.11Å; Q75-I77 PolarHBondContact O-N 3.07Å; I77-I171 HydrophobicContact CD1-CB 3.9Å; I77-I171 HydrophobicContact CD1-CD1 3.26Å; I77-I171 HydrophobicContact CD1-CG1 3.36Å; I77-L222 HydrophobicContact CG2-CD2 3.39Å; I77-K223 CarbonylContact C-O 3.6Å; I77-K223 WeakPolarHBondContact CA-O 3.4Å | ||
| 78 | A | 68.7 | Low | 72.8 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 13% | 0.132 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K223 L270 | A78-K223 PolarHBondContact N-O 3.34Å; A78-K223 PolarHBondContact O-N 3.37Å; A78-K223 VanDerWaalsContact O-O 3.13Å; A78-L270 HydrophobicContact CB-CD1 4.21Å; A78-L270 HydrophobicContact CB-CD2 3.59Å; A78-L270 HydrophobicContact CB-CG 4.07Å |
| 79 | G | 67.9 | Low | 71.9 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S104 N221 | G79-S104 WeakPolarHBondContact O-CA 3.38Å; G79-S104 WeakPolarHBondContact O-CB 3.46Å; G79-N221 CarbonylContact C-O 3.5Å; G79-N221 WeakPolarHBondContact CA-O 3.49Å |
| 80 | E | 65.3 | Low | 70.4 | Confident | 84 Ų | 84 | 33.1 Ų | 33.1 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.7 | 163.5 | -171.7 | -177.2 | 161.5 | 0 | 0 | 106.7 | Y219 L220 N221 | E80-Y219 HydrophobicContact CG-CE2 3.86Å; E80-Y219 WeakPolarHBondContact OE1-CE2 3.34Å; E80-Y219 PolarHBondContact OE1-OH 2.65Å; E80-L220 CarbonylContact O-C 3.55Å; E80-L220 VanDerWaalsContact O-CA 3.29Å; E80-L220 WeakPolarHBondContact O-CA 2.98Å; E80-N221 HydrophobicContact CB-CB 4.45Å; E80-N221 PolarHBondContact N-O 2.04Å; E80-N221 PolarHBondContact O-N 2.86Å |
| 81 | L | 65 | Low | 68.7 | Low | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113.2 | 168.9 | 178.7 | 75.2 | 0 | 0 | 0 | 106.6 | I101 R180 V218 Y219 L220 | L81-I101 HydrophobicContact CD2-CD1 3.97Å; L81-I101 HydrophobicContact CG-CD1 3.88Å; L81-R180 HydrophobicContact CD2-CB 3.98Å; L81-R180 HydrophobicContact CD2-CG 3.52Å; L81-V218 HydrophobicContact CD1-CG1 4.36Å; L81-Y219 CarbonylContact C-O 3.2Å; L81-Y219 VanDerWaalsContact CA-O 3.31Å; L81-Y219 WeakPolarHBondContact CA-O 3.38Å; L81-L220 HydrophobicContact CB-CD1 4.36Å; L81-L220 HydrophobicContact CD1-CB 4.06Å; L81-L220 HydrophobicContact CD1-CD1 4.31Å |
| 82 | G | 65.8 | Low | 66.7 | Low | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y219 | G82-Y219 VanDerWaalsContact C-CE1 3.47Å; G82-Y219 PolarHBondContact N-O 3.3Å; G82-Y219 WeakPolarHBondContact O-CD1 3.45Å; G82-Y219 PolarHBondContact O-N 3.5Å |
| 83 | V | 67.7 | Low | 64.7 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.3 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | W99 I101 V182 F216 Q217 V218 | V83-W99 HydrophobicContact CG1-CZ2 3.97Å; V83-W99 PolarHBondContact N-O 2.83Å; V83-W99 CarbonylContact O-C 3.4Å; V83-W99 PolarHBondContact O-N 2.85Å; V83-I101 HydrophobicContact CB-CG1 4.33Å; V83-I101 HydrophobicContact CG2-CD1 3.29Å; V83-I101 HydrophobicContact CG2-CG1 3.45Å; V83-I101 VanDerWaalsContact CG2-CG1 3.45Å; V83-V182 HydrophobicContact CG2-CG1 3.56Å; V83-V182 HydrophobicContact CG2-CG2 4.42Å; V83-F216 HydrophobicContact CG1-CD2 4.06Å; V83-F216 HydrophobicContact CG1-CE1 4.38Å; V83-F216 HydrophobicContact CG1-CE2 3.16Å; V83-F216 HydrophobicContact CG1-CZ 3.34Å; V83-F216 HydrophobicContact CG2-CZ 4.48Å; V83-Q217 CarbonylContact C-O 3.49Å; V83-Q217 WeakPolarHBondContact CA-O 3.29Å; V83-V218 HydrophobicContact CG2-CB 4.48Å; V83-V218 HydrophobicContact CG2-CG1 4.01Å; V83-V218 HydrophobicContact CG2-CG2 4.01Å |
| 84 | N | 72.8 | Confident | 63.5 | Low | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118 | 180 | -176.6 | 23 | 0 | 0 | 0 | 108.9 | Q86 I97 K98 Q217 Y219 | N84-Q86 PolarHBondContact ND2-NE2 3.33Å; N84-I97 PolarHBondContact OD1-O 3.18Å; N84-K98 HydrophobicContact CB-CG 4.27Å; N84-K98 WeakPolarHBondContact OD1-CG 3.38Å; N84-Q217 HydrophobicContact CB-CB 4.26Å; N84-Q217 PolarHBondContact N-O 3.48Å; N84-Q217 PolarHBondContact ND2-OE1 3.06Å; N84-Q217 PolarHBondContact O-N 3.36Å; N84-Y219 HydrophobicContact CB-CE1 4.47Å |
| 85 | L | 72.1 | Confident | 62.4 | Low | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.3 | 171.7 | -178.5 | 77.4 | 0 | 0 | 0 | 108.8 | F21 V87 I97 W99 L190 K215 F216 F286 | F21-L85 HydrophobicContact CE1-CD1 3.99Å; L85-V87 HydrophobicContact CD2-CG2 4.15Å; L85-V87 HydrophobicContact CG-CG2 4.23Å; L85-I97 HydrophobicContact CB-CB 4.44Å; L85-I97 HydrophobicContact CD2-CD1 4.37Å; L85-I97 PolarHBondContact N-O 3.02Å; L85-I97 WeakPolarHBondContact O-CA 3.37Å; L85-I97 PolarHBondContact O-N 2.98Å; L85-W99 HydrophobicContact CB-CE3 4.4Å; L85-W99 HydrophobicContact CB-CH2 3.2Å; L85-W99 HydrophobicContact CB-CZ2 4.06Å; L85-W99 HydrophobicContact CB-CZ3 3.39Å; L85-W99 HydrophobicContact CD2-CH2 3.62Å; L85-W99 HydrophobicContact CD2-CZ3 3.94Å; L85-W99 HydrophobicContact CG-CH2 3.92Å; L85-W99 HydrophobicContact CG-CZ3 4.27Å; L85-L190 HydrophobicContact CD2-CD1 4.47Å; L85-L190 HydrophobicContact CD2-CD2 3.82Å; L85-K215 CarbonylContact C-O 3.47Å; L85-F216 HydrophobicContact CD1-CB 4.34Å; L85-F216 HydrophobicContact CD1-CD2 3.94Å; L85-F286 HydrophobicContact CD1-CD1 4.36Å; L85-F286 HydrophobicContact CD1-CE1 3.34Å; L85-F286 HydrophobicContact CD1-CZ 3.52Å; L85-F286 HydrophobicContact CG-CZ 4.47Å |
| 86 | Q | 71.6 | Confident | 61.5 | Low | 35 Ų | 35 | 34.1 Ų | 34.1 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.6 | 172.9 | -42.5 | -169 | -5.5 | 0 | 0 | 109.6 | N84 F95 N96 G214 K215 | N84-Q86 PolarHBondContact ND2-NE2 3.33Å; Q86-F95 CarbonylContact C-O 3.54Å; Q86-F95 VanDerWaalsContact CA-O 3.31Å; Q86-F95 WeakPolarHBondContact CA-O 3.41Å; Q86-N96 WeakPolarHBondContact CB-OD1 3.31Å; Q86-N96 WeakPolarHBondContact CG-OD1 3.48Å; Q86-N96 PolarHBondContact NE2-OD1 2.78Å; Q86-N96 PolarHBondContact OE1-OD1 3.31Å; Q86-G214 CarbonylContact O-C 3.49Å; Q86-G214 VanDerWaalsContact O-CA 3.25Å; Q86-G214 WeakPolarHBondContact O-CA 3.33Å; Q86-K215 HydrophobicContact CB-CB 4.11Å; Q86-K215 HydrophobicContact CG-CB 4.29Å; Q86-K215 PolarHBondContact N-O 2.89Å; Q86-K215 PolarHBondContact O-N 3.07Å |
| 87 | V | 66.5 | Low | 60.8 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.1 | 179.5 | -124.1 | 0 | 0 | 0 | 0 | 108.7 | L85 F95 I97 F209 I211 | L85-V87 HydrophobicContact CD2-CG2 4.15Å; L85-V87 HydrophobicContact CG-CG2 4.23Å; V87-F95 HydrophobicContact CG2-CD1 4.31Å; V87-F95 PolarHBondContact N-O 3.1Å; V87-F95 WeakPolarHBondContact O-CA 3.45Å; V87-F95 VanDerWaalsContact O-CB 3.27Å; V87-F95 WeakPolarHBondContact O-CB 2.96Å; V87-F95 PolarHBondContact O-N 3.34Å; V87-I97 HydrophobicContact CG2-CD1 4.01Å; V87-I97 HydrophobicContact CG2-CG1 4.3Å; V87-F209 HydrophobicContact CB-CE2 3.97Å; V87-F209 HydrophobicContact CG1-CE2 4.29Å; V87-F209 HydrophobicContact CG1-CZ 4.5Å; V87-F209 HydrophobicContact CG2-CE2 3.9Å; V87-F209 HydrophobicContact CG2-CZ 4.29Å; V87-I211 HydrophobicContact CG1-CB 4.37Å; V87-I211 HydrophobicContact CG1-CG2 4.05Å |
| 88 | P | 60.5 | Low | 59.8 | Low | 62 Ų | 62 | 37.3 Ų | 37.3 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.5 | 176.1 | 27.5 | -30.4 | 0 | 0 | 0 | 111 | S213 | P88-S213 WeakPolarHBondContact CD-O 2.98Å; P88-S213 WeakPolarHBondContact CG-O 3.43Å |
| 89 | I | 56.8 | Low | 58.8 | Low | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -126.2 | 101.7 | 178.5 | -59.5 | -178.8 | 0 | 0 | 0 | 110.1 | S91 G92 G93 F95 Y198 L205 F209 | I89-S91 PolarHBondContact O-N 3.32Å; I89-G92 PolarHBondContact O-N 2.73Å; I89-G93 PolarHBondContact N-O 2.82Å; I89-F95 HydrophobicContact CD1-CB 3.31Å; I89-F95 HydrophobicContact CD1-CD1 4Å; I89-F95 HydrophobicContact CD1-CD2 4.35Å; I89-F95 HydrophobicContact CD1-CG 3.68Å; I89-F95 HydrophobicContact CG1-CB 3.82Å; I89-Y198 HydrophobicContact CD1-CE2 3.68Å; I89-Y198 WeakPolarHBondContact CD1-OH 3.07Å; I89-L205 HydrophobicContact CG2-CD2 4.14Å; I89-F209 HydrophobicContact CD1-CD2 3.6Å; I89-F209 HydrophobicContact CD1-CE2 4.28Å; I89-F209 HydrophobicContact CG1-CD2 3.78Å; I89-F209 HydrophobicContact CG1-CE2 4.49Å |
| 90 | G | 53 | Low | 57.6 | Low | 49 Ų | 49 | 39.3 Ų | 39.3 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -136.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 91 | S | 45.7 | Very low | 56.4 | Low | 122 Ų | 122 | 35.9 Ų | 35.9 | 85% | 0.853 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.8 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 114 | I89 | I89-S91 PolarHBondContact O-N 3.32Š|
| 92 | G | 43.4 | Very low | 54.9 | Low | 67 Ų | 67 | 39.1 Ų | 39.1 | 69% | 0.691 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -90.8 | 2.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | I89 | I89-G92 PolarHBondContact O-N 2.73Š|
| 93 | G | 43.3 | Very low | 53.3 | Low | 37 Ų | 37 | 41.9 Ų | 41.9 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | trans | 96.4 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I89 | I89-G93 PolarHBondContact N-O 2.82Š| ||
| 94 | P | 56.4 | Low | 51.5 | Low | 85 Ų | 85 | 43 Ų | 43 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.6 | -174.1 | 29.5 | -33 | 0 | 0 | 0 | 112.4 | ||
| 95 | F | 54.4 | Low | 49.6 | Very low | 20 Ų | 20 | 43.7 Ų | 43.7 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.9 | 168.9 | 179.3 | -118.8 | 0 | 0 | 0 | 110.5 | Q86 V87 I89 I97 V194 R197 Y198 F209 | Q86-F95 CarbonylContact C-O 3.54Å; Q86-F95 VanDerWaalsContact CA-O 3.31Å; Q86-F95 WeakPolarHBondContact CA-O 3.41Å; V87-F95 HydrophobicContact CG2-CD1 4.31Å; V87-F95 PolarHBondContact N-O 3.1Å; V87-F95 WeakPolarHBondContact O-CA 3.45Å; V87-F95 VanDerWaalsContact O-CB 3.27Å; V87-F95 WeakPolarHBondContact O-CB 2.96Å; V87-F95 PolarHBondContact O-N 3.34Å; I89-F95 HydrophobicContact CD1-CB 3.31Å; I89-F95 HydrophobicContact CD1-CD1 4Å; I89-F95 HydrophobicContact CD1-CD2 4.35Å; I89-F95 HydrophobicContact CD1-CG 3.68Å; I89-F95 HydrophobicContact CG1-CB 3.82Å; F95-I97 HydrophobicContact CD1-CD1 3.9Å; F95-I97 HydrophobicContact CD1-CG1 3.42Å; F95-I97 VanDerWaalsContact CD1-CG1 3.42Å; F95-I97 HydrophobicContact CE1-CD1 3.55Å; F95-I97 HydrophobicContact CE1-CG1 3.18Å; F95-I97 HydrophobicContact CG-CG1 4.49Å; F95-I97 HydrophobicContact CZ-CG1 4.08Å; F95-V194 HydrophobicContact CE1-CB 4.3Å; F95-V194 HydrophobicContact CE1-CG1 4.43Å; F95-V194 HydrophobicContact CE1-CG2 3.81Å; F95-R197 HydrophobicContact CE2-CB 4.13Å; F95-R197 HydrophobicContact CZ-CB 3.77Å; F95-R197 HydrophobicContact CZ-CG 4.47Å; F95-Y198 HydrophobicContact CD1-CE2 4.06Å; F95-Y198 AromaticContact CD2-CE2 3.86Å; F95-Y198 HydrophobicContact CD2-CE2 3.86Å; F95-Y198 AromaticContact CD2-CZ 3.55Å; F95-Y198 WeakPolarHBondContact CD2-OH 3.31Å; F95-Y198 AromaticContact CE1-CE2 3.71Å; F95-Y198 HydrophobicContact CE1-CE2 3.71Å; F95-Y198 HydrophobicContact CE2-CD2 4.33Å; F95-Y198 HydrophobicContact CE2-CE1 4.29Å; F95-Y198 AromaticContact CE2-CE2 3.5Å; F95-Y198 HydrophobicContact CE2-CE2 3.5Å; F95-Y198 VanDerWaalsContact CE2-CE2 3.5Å; F95-Y198 AromaticContact CE2-CZ 3.47Å; F95-Y198 VanDerWaalsContact CE2-CZ 3.47Å; F95-Y198 VanDerWaalsContact CE2-OH 3.29Å; F95-Y198 WeakPolarHBondContact CE2-OH 3.41Å; F95-Y198 HydrophobicContact CG-CE2 4.1Å; F95-Y198 VanDerWaalsContact CG-OH 3.24Å; F95-Y198 WeakPolarHBondContact CG-OH 3.45Å; F95-Y198 HydrophobicContact CZ-CD2 4.05Å; F95-Y198 AromaticContact CZ-CE2 3.42Å; F95-Y198 HydrophobicContact CZ-CE2 3.42Å; F95-Y198 VanDerWaalsContact CZ-CE2 3.42Å; F95-Y198 AromaticContact CZ-CZ 3.93Å; F95-F209 HydrophobicContact CD1-CE2 4.41Å |
| 96 | N | 56 | Low | 47.7 | Very low | 57 Ų | 57 | 45.3 Ų | 45.3 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 96.8 | -177.3 | -66.2 | -40.2 | 0 | 0 | 0 | 111 | Q86 K98 R197 | Q86-N96 WeakPolarHBondContact CB-OD1 3.31Å; Q86-N96 WeakPolarHBondContact CG-OD1 3.48Å; Q86-N96 PolarHBondContact NE2-OD1 2.78Å; Q86-N96 PolarHBondContact OE1-OD1 3.31Å; N96-K98 PolarHBondContact O-N 3.17Å; N96-R197 PolarHBondContact O-NH1 3.37Å |
| 97 | I | 54 | Low | 45.8 | Very low | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 104.7 | 170.1 | -46.4 | 178.7 | 0 | 0 | 0 | 108.6 | N84 L85 V87 F95 W99 M193 V194 | N84-I97 PolarHBondContact OD1-O 3.18Å; L85-I97 HydrophobicContact CB-CB 4.44Å; L85-I97 HydrophobicContact CD2-CD1 4.37Å; L85-I97 PolarHBondContact N-O 3.02Å; L85-I97 WeakPolarHBondContact O-CA 3.37Å; L85-I97 PolarHBondContact O-N 2.98Å; V87-I97 HydrophobicContact CG2-CD1 4.01Å; V87-I97 HydrophobicContact CG2-CG1 4.3Å; F95-I97 HydrophobicContact CD1-CD1 3.9Å; F95-I97 HydrophobicContact CD1-CG1 3.42Å; F95-I97 VanDerWaalsContact CD1-CG1 3.42Å; F95-I97 HydrophobicContact CE1-CD1 3.55Å; F95-I97 HydrophobicContact CE1-CG1 3.18Å; F95-I97 HydrophobicContact CG-CG1 4.49Å; F95-I97 HydrophobicContact CZ-CG1 4.08Å; I97-W99 HydrophobicContact CB-CE3 4.13Å; I97-W99 HydrophobicContact CB-CZ3 3.89Å; I97-W99 HydrophobicContact CG2-CE3 3.57Å; I97-W99 HydrophobicContact CG2-CZ3 3.65Å; I97-M193 HydrophobicContact CG2-CE 3.69Å; I97-V194 HydrophobicContact CD1-CG2 3.53Å |
| 98 | K | 49.2 | Very low | 44 | Very low | 112 Ų | 112 | 55 Ų | 55 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 131.4 | 169.8 | -67.5 | -173 | 176.9 | -171 | 0 | 109.6 | N84 N96 | N84-K98 HydrophobicContact CB-CG 4.27Å; N84-K98 WeakPolarHBondContact OD1-CG 3.38Å; N96-K98 PolarHBondContact O-N 3.17Å |
| 99 | W | 47.3 | Very low | 42.5 | Very low | 19 Ų | 19 | 58 Ų | 58 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.9 | 160.2 | 54.8 | 85.8 | 0 | 0 | 0 | 108.3 | V83 L85 I97 I101 L184 P185 L190 M193 F216 | V83-W99 HydrophobicContact CG1-CZ2 3.97Å; V83-W99 PolarHBondContact N-O 2.83Å; V83-W99 CarbonylContact O-C 3.4Å; V83-W99 PolarHBondContact O-N 2.85Å; L85-W99 HydrophobicContact CB-CE3 4.4Å; L85-W99 HydrophobicContact CB-CH2 3.2Å; L85-W99 HydrophobicContact CB-CZ2 4.06Å; L85-W99 HydrophobicContact CB-CZ3 3.39Å; L85-W99 HydrophobicContact CD2-CH2 3.62Å; L85-W99 HydrophobicContact CD2-CZ3 3.94Å; L85-W99 HydrophobicContact CG-CH2 3.92Å; L85-W99 HydrophobicContact CG-CZ3 4.27Å; I97-W99 HydrophobicContact CB-CE3 4.13Å; I97-W99 HydrophobicContact CB-CZ3 3.89Å; I97-W99 HydrophobicContact CG2-CE3 3.57Å; I97-W99 HydrophobicContact CG2-CZ3 3.65Å; W99-I101 PolarHBondContact O-N 2.52Å; W99-L184 HydrophobicContact CZ2-CD2 4.16Å; W99-P185 HydrophobicContact CH2-CG 4.41Å; W99-P185 HydrophobicContact CZ2-CG 4.43Å; W99-L190 HydrophobicContact CH2-CD2 3.71Å; W99-L190 HydrophobicContact CZ3-CD2 3.76Å; W99-M193 HydrophobicContact CB-CE 4.18Å; W99-M193 HydrophobicContact CD2-CE 4.18Å; W99-M193 HydrophobicContact CE3-CE 3.53Å; W99-M193 HydrophobicContact CG-CE 4.49Å; W99-M193 HydrophobicContact CZ3-CE 4.14Å; W99-F216 HydrophobicContact CZ2-CE2 4.11Å |
| 100 | D | 43.1 | Very low | 41.3 | Very low | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 131.1 | 172.5 | -66.1 | -49.6 | 0 | 0 | 0 | 108.2 | P102 | D100-P102 VanDerWaalsContact O-CD 3.26Å; D100-P102 WeakPolarHBondContact O-CD 3.46Å |
| 101 | I | 39.9 | Very low | 40.4 | Very low | 12 Ų | 12 | 63.4 Ų | 63.4 | 6% | 0.062 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 116.1 | 153.8 | -60.9 | 164.1 | 0 | 0 | 0 | 102.3 | L81 V83 W99 Y103 V182 V218 | L81-I101 HydrophobicContact CD2-CD1 3.97Å; L81-I101 HydrophobicContact CG-CD1 3.88Å; V83-I101 HydrophobicContact CB-CG1 4.33Å; V83-I101 HydrophobicContact CG2-CD1 3.29Å; V83-I101 HydrophobicContact CG2-CG1 3.45Å; V83-I101 VanDerWaalsContact CG2-CG1 3.45Å; W99-I101 PolarHBondContact O-N 2.52Å; I101-Y103 PolarHBondContact O-N 3.47Å; I101-V182 HydrophobicContact CD1-CB 4.44Å; I101-V182 HydrophobicContact CD1-CG1 4.21Å; I101-V182 HydrophobicContact CD1-CG2 3.62Å; I101-V182 HydrophobicContact CG1-CG1 4.35Å; I101-V218 HydrophobicContact CD1-CG1 4.36Å |
| 102 | P | 34.3 | Very low | 39.5 | Very low | 72 Ų | 72 | 62.1 Ų | 62.1 | 47% | 0.468 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -55.6 | 120.5 | 177.7 | 22.5 | -30.1 | 0 | 0 | 0 | 105.8 | D100 | D100-P102 VanDerWaalsContact O-CD 3.26Å; D100-P102 WeakPolarHBondContact O-CD 3.46Å |
| 103 | Y | 31.4 | Very low | 39.1 | Very low | 58 Ų | 58 | 59.4 Ų | 59.4 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 107.2 | 110.4 | 174.4 | -63.2 | -75.7 | 0 | 0 | 0 | 119.2 | I101 L111 F115 | I101-Y103 PolarHBondContact O-N 3.47Å; Y103-L111 WeakPolarHBondContact CD2-O 3.4Å; Y103-L111 WeakPolarHBondContact CE2-O 3.47Å; Y103-F115 AromaticContact CE2-CD2 3.7Å; Y103-F115 HydrophobicContact CE2-CD2 3.7Å; Y103-F115 AromaticContact CE2-CE2 3.6Å; Y103-F115 HydrophobicContact CE2-CE2 3.6Å; Y103-F115 AromaticContact CZ-CD2 3.48Å; Y103-F115 VanDerWaalsContact CZ-CD2 3.48Å; Y103-F115 AromaticContact CZ-CE2 3.58Å; Y103-F115 AromaticContact CZ-CG 3.98Å; Y103-F115 WeakPolarHBondContact OH-CD1 3.43Å; Y103-F115 WeakPolarHBondContact OH-CD2 3.41Å; Y103-F115 WeakPolarHBondContact OH-CE1 3.42Å; Y103-F115 WeakPolarHBondContact OH-CE2 3.3Å; Y103-F115 WeakPolarHBondContact OH-CG 3.09Å; Y103-F115 VanDerWaalsContact OH-CZ 3.3Å; Y103-F115 WeakPolarHBondContact OH-CZ 3.08Å |
| 104 | S | 30.6 | Very low | 38.7 | Very low | 22 Ų | 22 | 59.2 Ų | 59.2 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | trans | -32.3 | 134.4 | 142.8 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | G79 V106 L136 | G79-S104 WeakPolarHBondContact O-CA 3.38Å; G79-S104 WeakPolarHBondContact O-CB 3.46Å; S104-V106 VanDerWaalsContact C-N 3.33Å; S104-V106 PolarHBondContact O-N 2.94Å; S104-L136 WeakPolarHBondContact OG-CD1 3.32Å; S104-L136 VanDerWaalsContact OG-CD2 3.22Å; S104-L136 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 105 | A | 31.7 | Very low | 37.7 | Very low | 23 Ų | 23 | 57.8 Ų | 57.8 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -60.1 | 85.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L178 L220 | A105-L178 HydrophobicContact CB-CD2 4.31Å; A105-L220 HydrophobicContact CB-CD1 3.78Å |
| 106 | V | 32.5 | Very low | 37.3 | Very low | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.218 | 33% | 0.332 | C | S | . | . | trans | -105 | 125.1 | 158 | -180 | 0 | 0 | 0 | 0 | 106.8 | S104 Q108 L136 R180 | S104-V106 VanDerWaalsContact C-N 3.33Å; S104-V106 PolarHBondContact O-N 2.94Å; V106-Q108 PolarHBondContact O-N 3.06Å; V106-L136 HydrophobicContact CG2-CB 4.17Å; V106-L136 HydrophobicContact CG2-CD2 3.64Å; V106-L136 HydrophobicContact CG2-CG 4.42Å; V106-R180 PolarHBondContact O-NH2 2.52Å | ||
| 107 | P | 31 | Very low | 37.2 | Very low | 100 Ų | 100 | 60.6 Ų | 60.6 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | trans | -50.5 | 128.3 | 178.3 | -19.8 | 30.5 | 0 | 0 | 0 | 109.1 | K109 | P107-K109 PolarHBondContact O-N 3.37Š| ||
| 108 | Q | 30.4 | Very low | 37.4 | Very low | 137 Ų | 137 | 62.5 Ų | 62.5 | 64% | 0.64 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -52.8 | 128.4 | 179.9 | -81.3 | -175.3 | -18.5 | 0 | 0 | 109.8 | V106 | V106-Q108 PolarHBondContact O-N 3.06Š|
| 109 | K | 29.1 | Very low | 37.8 | Very low | 127 Ų | 127 | 62.6 Ų | 62.6 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | S | Bend | -144.9 | 125.5 | 88.1 | -80.7 | -177.9 | -170.1 | 175.5 | 0 | 110.8 | P107 F164 | P107-K109 PolarHBondContact O-N 3.37Å; K109-F164 HydrophobicContact CB-CD1 4.14Å; K109-F164 HydrophobicContact CB-CG 4.3Å; K109-F164 HydrophobicContact CD-CD1 4.03Å; K109-F164 HydrophobicContact CD-CD2 3.91Å; K109-F164 HydrophobicContact CD-CE1 3.76Å; K109-F164 HydrophobicContact CD-CE2 3.65Å; K109-F164 HydrophobicContact CD-CG 4.12Å; K109-F164 HydrophobicContact CD-CZ 3.58Å; K109-F164 HydrophobicContact CG-CD1 4.29Å; K109-F164 HydrophobicContact CG-CE1 4.21Å; K109-F164 HydrophobicContact CG-CZ 4.5Å; K109-F164 VanDerWaalsContact NZ-CZ 3.27Å | |
| 110 | K | 31.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 64.7 Ų | 64.7 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 64 | 105.2 | -179.8 | -63.6 | -176.8 | 177.1 | 178.3 | 0 | 114 | L157 E161 | K110-L157 HydrophobicContact CD-CD2 4.08Å; K110-E161 VanDerWaalsContact CD-OE2 3.29Å; K110-E161 WeakPolarHBondContact CD-OE2 3.38Å; K110-E161 WeakPolarHBondContact CE-OE2 3.32Å; K110-E161 IonicContact NZ-OE1 2.72Å; K110-E161 PolarHBondContact NZ-OE1 3.12Å; K110-E161 IonicContact NZ-OE2 3.38Å; K110-E161 PolarHBondContact NZ-OE2 2.78Å |
| 111 | L | 32.7 | Very low | 39.2 | Very low | 50 Ų | 50 | 62.1 Ų | 62.1 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | -148.8 | 129.1 | 78.9 | -97.1 | 174.7 | 0 | 0 | 0 | 112.9 | Y103 F115 V143 | Y103-L111 WeakPolarHBondContact CD2-O 3.4Å; Y103-L111 WeakPolarHBondContact CE2-O 3.47Å; L111-F115 HydrophobicContact CB-CD1 4.44Å; L111-F115 HydrophobicContact CB-CE1 3.49Å; L111-F115 VanDerWaalsContact CB-CE1 3.49Å; L111-F115 HydrophobicContact CB-CE2 3.83Å; L111-F115 HydrophobicContact CB-CZ 3.14Å; L111-F115 HydrophobicContact CD1-CD1 3.86Å; L111-F115 HydrophobicContact CD1-CE1 3.19Å; L111-F115 HydrophobicContact CD1-CZ 3.85Å; L111-F115 HydrophobicContact CD2-CE1 3.29Å; L111-F115 HydrophobicContact CD2-CZ 3.36Å; L111-F115 HydrophobicContact CG-CD1 4.42Å; L111-F115 HydrophobicContact CG-CE1 3.36Å; L111-F115 HydrophobicContact CG-CZ 3.48Å; L111-F115 VanDerWaalsContact CG-CZ 3.48Å; L111-V143 HydrophobicContact CD1-CG1 4.09Å | |||
| 112 | I | 27.3 | Very low | 40.2 | Very low | 95 Ų | 95 | 61.6 Ų | 61.6 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | trans | -114.3 | 141.8 | 176.8 | -63.5 | 172.4 | 0 | 0 | 0 | 106.9 | F115 Y337 | I112-F115 WeakPolarHBondContact O-CE2 3.45Å; I112-F115 VanDerWaalsContact O-CZ 3.3Å; I112-F115 WeakPolarHBondContact O-CZ 3.46Å; I112-Y337 WeakPolarHBondContact CG2-OH 3.21Å | ||
| 113 | G | 34.5 | Very low | 41.5 | Very low | 10 Ų | 10 | 61.7 Ų | 61.7 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 88.4 | 86.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 114 | G | 35.2 | Very low | 42.9 | Very low | 33 Ų | 33 | 60.1 Ų | 60.1 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | trans | 72.4 | 49.6 | 157 | 0 | 0 | 0 | 0 | 0 | 115.8 | T116 | G114-T116 PolarHBondContact O-N 3.19Å; G114-T116 VanDerWaalsContact O-N 3.16Å | ||
| 115 | F | 36.4 | Very low | 44 | Very low | 55 Ų | 55 | 67.9 Ų | 67.9 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | trans | -65.9 | 112.5 | 176.2 | -65.9 | -82.4 | 0 | 0 | 0 | 111.1 | Y103 L111 I112 C117 | Y103-F115 AromaticContact CE2-CD2 3.7Å; Y103-F115 HydrophobicContact CE2-CD2 3.7Å; Y103-F115 AromaticContact CE2-CE2 3.6Å; Y103-F115 HydrophobicContact CE2-CE2 3.6Å; Y103-F115 AromaticContact CZ-CD2 3.48Å; Y103-F115 VanDerWaalsContact CZ-CD2 3.48Å; Y103-F115 AromaticContact CZ-CE2 3.58Å; Y103-F115 AromaticContact CZ-CG 3.98Å; Y103-F115 WeakPolarHBondContact OH-CD1 3.43Å; Y103-F115 WeakPolarHBondContact OH-CD2 3.41Å; Y103-F115 WeakPolarHBondContact OH-CE1 3.42Å; Y103-F115 WeakPolarHBondContact OH-CE2 3.3Å; Y103-F115 WeakPolarHBondContact OH-CG 3.09Å; Y103-F115 VanDerWaalsContact OH-CZ 3.3Å; Y103-F115 WeakPolarHBondContact OH-CZ 3.08Å; L111-F115 HydrophobicContact CB-CD1 4.44Å; L111-F115 HydrophobicContact CB-CE1 3.49Å; L111-F115 VanDerWaalsContact CB-CE1 3.49Å; L111-F115 HydrophobicContact CB-CE2 3.83Å; L111-F115 HydrophobicContact CB-CZ 3.14Å; L111-F115 HydrophobicContact CD1-CD1 3.86Å; L111-F115 HydrophobicContact CD1-CE1 3.19Å; L111-F115 HydrophobicContact CD1-CZ 3.85Å; L111-F115 HydrophobicContact CD2-CE1 3.29Å; L111-F115 HydrophobicContact CD2-CZ 3.36Å; L111-F115 HydrophobicContact CG-CD1 4.42Å; L111-F115 HydrophobicContact CG-CE1 3.36Å; L111-F115 HydrophobicContact CG-CZ 3.48Å; L111-F115 VanDerWaalsContact CG-CZ 3.48Å; I112-F115 WeakPolarHBondContact O-CE2 3.45Å; I112-F115 VanDerWaalsContact O-CZ 3.3Å; I112-F115 WeakPolarHBondContact O-CZ 3.46Å; F115-C117 PolarHBondContact O-N 2.86Å | ||
| 116 | T | 45.1 | Very low | 45 | Very low | 112 Ų | 112 | 69.5 Ų | 69.5 | 69% | 0.687 | 36% | 0.362 | S | S | * | . | trans | -61.2 | 126.8 | 150.6 | 39.1 | 0 | 0 | 0 | 0 | 107.4 | G114 D118 | G114-T116 PolarHBondContact O-N 3.19Å; G114-T116 VanDerWaalsContact O-N 3.16Å; T116-D118 PolarHBondContact O-N 3.45Å; T116-D118 VanDerWaalsContact O-N 3.1Å | ||
| 117 | C | 54.1 | Low | 45.7 | Very low | 25 Ų | 25 | 73.7 Ų | 73.7 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | trans | -51.1 | 123.3 | 171.8 | -57.2 | 0 | 0 | 0 | 0 | 108.2 | F115 A121 F123 C131 | F115-C117 PolarHBondContact O-N 2.86Å; C117-A121 HydrophobicContact CB-CB 3.72Å; C117-F123 HydrophobicContact CB-CE1 3.92Å; C117-F123 HydrophobicContact CB-CE2 3.83Å; C117-F123 HydrophobicContact CB-CZ 3.44Å; C117-F123 VanDerWaalsContact CB-CZ 3.44Å; C117-F123 WeakPolarHBondContact SG-CD1 3.45Å; C117-F123 WeakPolarHBondContact SG-CE1 3.15Å; C117-F123 WeakPolarHBondContact SG-CZ 3.44Å; C117-C131 WeakPolarHBondContact CA-SG 3.4Å; C117-C131 HydrophobicContact CB-CB 3.95Å; C117-C131 WeakPolarHBondContact CB-SG 3.4Å; C117-C131 PolarHBondContact N-SG 3.36Å; C117-C131 VanDerWaalsContact SG-CA 3.57Å; C117-C131 WeakPolarHBondContact SG-CB 3.15Å; C117-C131 CovalentContact SG-SG 2Å; C117-C131 PolarHBondContact SG-SG 3.29Å | ||
| 118 | D | 57.4 | Low | 46.4 | Very low | 44 Ų | 44 | 74.5 Ų | 74.5 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | trans | -70.2 | 179.4 | 175.2 | 81.7 | -7.8 | 0 | 0 | 0 | 110 | T116 N120 A121 Y133 | T116-D118 PolarHBondContact O-N 3.45Å; T116-D118 VanDerWaalsContact O-N 3.1Å; D118-N120 PolarHBondContact O-N 3.13Å; D118-N120 VanDerWaalsContact O-N 3.09Å; D118-N120 VanDerWaalsContact OD1-CA 3.27Å; D118-N120 WeakPolarHBondContact OD1-CA 3.41Å; D118-N120 WeakPolarHBondContact OD1-CB 3.45Å; D118-N120 PolarHBondContact OD1-N 3.41Å; D118-N120 PolarHBondContact OD2-ND2 3.12Å; D118-A121 PolarHBondContact O-N 3.47Å; D118-A121 PolarHBondContact OD1-N 2.87Å; D118-Y133 HydrophobicContact CB-CE1 4.47Å; D118-Y133 VanDerWaalsContact OD1-CE1 3.27Å; D118-Y133 WeakPolarHBondContact OD1-CE1 3.26Å | ||
| 119 | E | 58.5 | Low | 47.5 | Very low | 113 Ų | 113 | 72.6 Ų | 72.6 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12 | 178.7 | 63.9 | -177.5 | 170.7 | 0 | 0 | 114.4 | K142 K262 | E119-K142 IonicContact OE1-NZ 3.89Å; E119-K142 PolarHBondContact OE1-NZ 2.76Å; E119-K262 WeakPolarHBondContact O-CE 2.81Å; E119-K262 PolarHBondContact O-NZ 3.27Å |
| 120 | N | 60.9 | Low | 48.8 | Very low | 64 Ų | 64 | 69.5 Ų | 69.5 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -13.6 | -177.9 | -47.7 | -62.7 | 0 | 0 | 0 | 113 | D118 | D118-N120 PolarHBondContact O-N 3.13Å; D118-N120 VanDerWaalsContact O-N 3.09Å; D118-N120 VanDerWaalsContact OD1-CA 3.27Å; D118-N120 WeakPolarHBondContact OD1-CA 3.41Å; D118-N120 WeakPolarHBondContact OD1-CB 3.45Å; D118-N120 PolarHBondContact OD1-N 3.41Å; D118-N120 PolarHBondContact OD2-ND2 3.12Å |
| 121 | A | 59.2 | Low | 50.2 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 136.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C117 D118 C131 Y133 | C117-A121 HydrophobicContact CB-CB 3.72Å; D118-A121 PolarHBondContact O-N 3.47Å; D118-A121 PolarHBondContact OD1-N 2.87Å; A121-C131 HydrophobicContact CB-CB 3.96Å; A121-Y133 HydrophobicContact CB-CD1 3.72Å; A121-Y133 HydrophobicContact CB-CD2 4.31Å; A121-Y133 HydrophobicContact CB-CE1 3.37Å; A121-Y133 HydrophobicContact CB-CE2 4Å; A121-Y133 HydrophobicContact CB-CG 4.17Å |
| 122 | G | 61.4 | Low | 51.7 | Low | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 149.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R132 K262 | G122-R132 PolarHBondContact N-O 3.26Å; G122-R132 PolarHBondContact O-N 3.22Å; G122-K262 WeakPolarHBondContact CA-O 3.46Å |
| 123 | F | 61.7 | Low | 53.3 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.8 | 176.6 | -64.1 | -102 | 0 | 0 | 0 | 109.7 | C117 E259 S263 | C117-F123 HydrophobicContact CB-CE1 3.92Å; C117-F123 HydrophobicContact CB-CE2 3.83Å; C117-F123 HydrophobicContact CB-CZ 3.44Å; C117-F123 VanDerWaalsContact CB-CZ 3.44Å; C117-F123 WeakPolarHBondContact SG-CD1 3.45Å; C117-F123 WeakPolarHBondContact SG-CE1 3.15Å; C117-F123 WeakPolarHBondContact SG-CZ 3.44Å; F123-E259 WeakPolarHBondContact CD2-OE2 3.37Å; F123-E259 WeakPolarHBondContact CE2-OE2 3.34Å; F123-S263 PolarHBondContact N-OG 3.17Å; F123-S263 WeakPolarHBondContact O-CB 3.01Å; F123-S263 PolarHBondContact O-OG 3.34Å |
| 124 | V | 59.6 | Low | 54.6 | Low | 24 Ų | 24 | 64.4 Ų | 64.4 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.6 | 169.8 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | T126 N129 I130 R132 | V124-T126 VanDerWaalsContact C-N 3.32Å; V124-T126 HydrophobicContact CG1-CG2 4.01Å; V124-T126 PolarHBondContact O-N 2.86Å; V124-N129 WeakPolarHBondContact O-CA 3.47Å; V124-I130 HydrophobicContact CB-CG1 4.34Å; V124-I130 PolarHBondContact N-O 3.27Å; V124-I130 PolarHBondContact O-N 3.49Å; V124-R132 HydrophobicContact CG2-CB 3.56Å; V124-R132 HydrophobicContact CG2-CG 4.22Å |
| 125 | K | 53.6 | Low | 55.8 | Low | 186 Ų | 186 | 63.9 Ų | 63.9 | 81% | 0.809 | 32% | 0.318 | S | S | * | . | trans | -78 | 85.2 | -179.3 | -157.4 | 175.3 | -173.8 | -179 | 0 | 110.1 | ||||
| 126 | T | 53.9 | Low | 56.7 | Low | 57 Ų | 57 | 62.4 Ų | 62.4 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -101 | -179.6 | 164.6 | 67.7 | 0 | 0 | 0 | 0 | 109.3 | V124 R128 N129 I130 | V124-T126 VanDerWaalsContact C-N 3.32Å; V124-T126 HydrophobicContact CG1-CG2 4.01Å; V124-T126 PolarHBondContact O-N 2.86Å; T126-R128 PolarHBondContact O-N 3.1Å; T126-R128 PolarHBondContact OG1-N 3.46Å; T126-N129 PolarHBondContact O-N 2.89Å; T126-N129 PolarHBondContact OG1-N 3.17Å; T126-I130 HydrophobicContact CG2-CG1 4.43Å |
| 127 | D | 46.7 | Very low | 57.1 | Low | 124 Ų | 124 | 57.6 Ų | 57.6 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -15.9 | 170.2 | -43 | -3.6 | 0 | 0 | 0 | 113.3 | R197 | D127-R197 IonicContact OD2-CZ 2.56Å; D127-R197 IonicContact OD2-NE 3.13Å; D127-R197 PolarHBondContact OD2-NE 2.77Å; D127-R197 IonicContact OD2-NH2 2.73Å; D127-R197 PolarHBondContact OD2-NH2 2Å |
| 128 | R | 45.9 | Very low | 57.2 | Low | 116 Ų | 116 | 62.8 Ų | 62.8 | 44% | 0.438 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 9.3 | -177.1 | -68.9 | -172 | 179.6 | -177.7 | -1.2 | 115.8 | T126 | T126-R128 PolarHBondContact O-N 3.1Å; T126-R128 PolarHBondContact OG1-N 3.46Å |
| 129 | N | 53 | Low | 57.1 | Low | 98 Ų | 98 | 61.2 Ų | 61.2 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | trans | 37.4 | 85.9 | -178.6 | -71.1 | -32 | 0 | 0 | 0 | 113.9 | V124 T126 | V124-N129 WeakPolarHBondContact O-CA 3.47Å; T126-N129 PolarHBondContact O-N 2.89Å; T126-N129 PolarHBondContact OG1-N 3.17Å | ||
| 130 | I | 57.2 | Low | 56.9 | Low | 61 Ų | 61 | 57.1 Ų | 57.1 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.7 | -178.4 | 56.8 | 167.4 | 0 | 0 | 0 | 112 | V124 T126 R132 | V124-I130 HydrophobicContact CB-CG1 4.34Å; V124-I130 PolarHBondContact N-O 3.27Å; V124-I130 PolarHBondContact O-N 3.49Å; T126-I130 HydrophobicContact CG2-CG1 4.43Å; I130-R132 PolarHBondContact O-N 2.87Å |
| 131 | C | 60.9 | Low | 56.7 | Low | 37 Ų | 37 | 54.9 Ų | 54.9 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 125.9 | 169.1 | -46.5 | 0 | 0 | 0 | 0 | 109.7 | C117 A121 Y133 | C117-C131 WeakPolarHBondContact CA-SG 3.4Å; C117-C131 HydrophobicContact CB-CB 3.95Å; C117-C131 WeakPolarHBondContact CB-SG 3.4Å; C117-C131 PolarHBondContact N-SG 3.36Å; C117-C131 VanDerWaalsContact SG-CA 3.57Å; C117-C131 WeakPolarHBondContact SG-CB 3.15Å; C117-C131 CovalentContact SG-SG 2Å; C117-C131 PolarHBondContact SG-SG 3.29Å; A121-C131 HydrophobicContact CB-CB 3.96Å; C131-Y133 HydrophobicContact CB-CD2 4.34Å; C131-Y133 HydrophobicContact CB-CE2 3.6Å |
| 132 | R | 63.7 | Low | 56.9 | Low | 85 Ų | 85 | 58.2 Ų | 58.2 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123 | 170.7 | -177 | 169.5 | -176 | -170.8 | -3.6 | 109.2 | G122 V124 I130 A266 | G122-R132 PolarHBondContact N-O 3.26Å; G122-R132 PolarHBondContact O-N 3.22Å; V124-R132 HydrophobicContact CG2-CB 3.56Å; V124-R132 HydrophobicContact CG2-CG 4.22Å; I130-R132 PolarHBondContact O-N 2.87Å; R132-A266 HydrophobicContact CB-CB 4.05Å; R132-A266 VanDerWaalsContact CD-O 3.32Å; R132-A266 WeakPolarHBondContact CD-O 3.12Å; R132-A266 HydrophobicContact CG-CB 4.25Å; R132-A266 PolarHBondContact NE-O 2.83Å |
| 133 | Y | 61.6 | Low | 56.7 | Low | 28 Ų | 28 | 59.5 Ų | 59.5 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.7 | -176.3 | -68.4 | -93.1 | 0 | 0 | 0 | 109.1 | D118 A121 C131 L136 | D118-Y133 HydrophobicContact CB-CE1 4.47Å; D118-Y133 VanDerWaalsContact OD1-CE1 3.27Å; D118-Y133 WeakPolarHBondContact OD1-CE1 3.26Å; A121-Y133 HydrophobicContact CB-CD1 3.72Å; A121-Y133 HydrophobicContact CB-CD2 4.31Å; A121-Y133 HydrophobicContact CB-CE1 3.37Å; A121-Y133 HydrophobicContact CB-CE2 4Å; A121-Y133 HydrophobicContact CB-CG 4.17Å; C131-Y133 HydrophobicContact CB-CD2 4.34Å; C131-Y133 HydrophobicContact CB-CE2 3.6Å; Y133-L136 HydrophobicContact CG-CG 4.36Å |
| 134 | C | 61.2 | Low | 56.4 | Low | 14 Ų | 14 | 57.7 Ų | 57.7 | 10% | 0.095 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -47 | -172.7 | -100.6 | 0 | 0 | 0 | 0 | 114.3 | Y265 C269 | C134-Y265 HydrophobicContact CB-CD1 4.34Å; C134-Y265 HydrophobicContact CB-CE1 3.6Å; C134-Y265 WeakPolarHBondContact SG-CE1 3.02Å; C134-C269 VanDerWaalsContact C-SG 3.59Å; C134-C269 WeakPolarHBondContact CA-SG 3.2Å; C134-C269 HydrophobicContact CB-CB 4.18Å; C134-C269 WeakPolarHBondContact CB-SG 3.35Å; C134-C269 WeakPolarHBondContact SG-CA 3.29Å; C134-C269 WeakPolarHBondContact SG-CB 3.45Å; C134-C269 CovalentContact SG-SG 1.99Å; C134-C269 PolarHBondContact SG-SG 3.21Å |
| 135 | D | 60.2 | Low | 56.6 | Low | 23 Ų | 23 | 64.1 Ų | 64.1 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 71.9 | 174.7 | -163.9 | -25.8 | 0 | 0 | 0 | 106.2 | C137 K138 S139 P229 | D135-C137 PolarHBondContact O-N 3.34Å; D135-C137 VanDerWaalsContact O-N 3.12Å; D135-K138 HydrophobicContact CB-CB 4.09Å; D135-K138 VanDerWaalsContact CG-CB 3.43Å; D135-K138 VanDerWaalsContact CG-CG 3.42Å; D135-K138 PolarHBondContact O-N 2.93Å; D135-K138 WeakPolarHBondContact OD1-CB 3.35Å; D135-K138 WeakPolarHBondContact OD1-CG 3.43Å; D135-K138 PolarHBondContact OD1-N 3.04Å; D135-K138 WeakPolarHBondContact OD2-CD 3.38Å; D135-K138 WeakPolarHBondContact OD2-CE 3.49Å; D135-K138 WeakPolarHBondContact OD2-CG 3.48Å; D135-K138 IonicContact OD2-NZ 3.84Å; D135-K138 PolarHBondContact OD2-NZ 2.99Å; D135-S139 WeakPolarHBondContact O-CB 3.33Å; D135-S139 PolarHBondContact O-N 3.15Å; D135-S139 PolarHBondContact O-OG 3.2Å; D135-P229 HydrophobicContact CB-CG 4.42Å |
| 136 | L | 54.8 | Low | 56.9 | Low | 24 Ų | 24 | 57.6 Ų | 57.6 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.2 | -32.1 | 179.6 | -113 | 128.8 | 0 | 0 | 0 | 111.2 | S104 V106 Y133 A140 | S104-L136 WeakPolarHBondContact OG-CD1 3.32Å; S104-L136 VanDerWaalsContact OG-CD2 3.22Å; S104-L136 WeakPolarHBondContact OG-CD2 3.35Å; V106-L136 HydrophobicContact CG2-CB 4.17Å; V106-L136 HydrophobicContact CG2-CD2 3.64Å; V106-L136 HydrophobicContact CG2-CG 4.42Å; Y133-L136 HydrophobicContact CG-CG 4.36Å; L136-A140 WeakPolarHBondContact O-CB 3.44Å; L136-A140 PolarHBondContact O-N 2.88Å |
| 137 | C | 54.7 | Low | 57.1 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.5 | -47.3 | -179 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | D135 S139 A141 C168 A169 | D135-C137 PolarHBondContact O-N 3.34Å; D135-C137 VanDerWaalsContact O-N 3.12Å; C137-S139 VanDerWaalsContact C-N 3.34Å; C137-A141 WeakPolarHBondContact O-CB 3.35Å; C137-A141 PolarHBondContact O-N 3.16Å; C137-C168 HydrophobicContact CB-CB 3.9Å; C137-C168 PolarHBondContact SG-O 3.44Å; C137-A169 HydrophobicContact CB-CB 3.87Å |
| 138 | K | 55.9 | Low | 57.7 | Low | 133 Ų | 133 | 51.2 Ų | 51.2 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.6 | -36.1 | 172.4 | -74.3 | -169.6 | -164.2 | 117.9 | 0 | 112.4 | D135 A141 K142 | D135-K138 HydrophobicContact CB-CB 4.09Å; D135-K138 VanDerWaalsContact CG-CB 3.43Å; D135-K138 VanDerWaalsContact CG-CG 3.42Å; D135-K138 PolarHBondContact O-N 2.93Å; D135-K138 WeakPolarHBondContact OD1-CB 3.35Å; D135-K138 WeakPolarHBondContact OD1-CG 3.43Å; D135-K138 PolarHBondContact OD1-N 3.04Å; D135-K138 WeakPolarHBondContact OD2-CD 3.38Å; D135-K138 WeakPolarHBondContact OD2-CE 3.49Å; D135-K138 WeakPolarHBondContact OD2-CG 3.48Å; D135-K138 IonicContact OD2-NZ 3.84Å; D135-K138 PolarHBondContact OD2-NZ 2.99Å; K138-A141 PolarHBondContact O-N 2.64Å; K138-K142 VanDerWaalsContact O-CB 3.27Å; K138-K142 WeakPolarHBondContact O-CB 3.4Å; K138-K142 PolarHBondContact O-N 3.08Å |
| 139 | S | 54.5 | Low | 58.8 | Low | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.5 | -51 | 0 | 0 | 0 | 0 | 109.8 | D135 C137 K142 V143 | D135-S139 WeakPolarHBondContact O-CB 3.33Å; D135-S139 PolarHBondContact O-N 3.15Å; D135-S139 PolarHBondContact O-OG 3.2Å; C137-S139 VanDerWaalsContact C-N 3.34Å; S139-K142 PolarHBondContact O-N 3.2Å; S139-V143 WeakPolarHBondContact O-CB 3.29Å; S139-V143 VanDerWaalsContact O-CG2 3.25Å; S139-V143 WeakPolarHBondContact O-CG2 2.87Å; S139-V143 PolarHBondContact O-N 2.98Å |
| 140 | A | 55 | Low | 59.1 | Low | 26 Ų | 26 | 46.9 Ų | 46.9 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L136 K142 V143 E144 | L136-A140 WeakPolarHBondContact O-CB 3.44Å; L136-A140 PolarHBondContact O-N 2.88Å; A140-K142 PolarHBondContact O-N 2.71Å; A140-V143 PolarHBondContact O-N 2.78Å; A140-E144 WeakPolarHBondContact O-CB 2.84Å; A140-E144 WeakPolarHBondContact O-CG 3.29Å; A140-E144 PolarHBondContact O-N 3.27Å |
| 141 | A | 56.9 | Low | 59.2 | Low | 18 Ų | 18 | 49.5 Ų | 49.5 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | C137 K138 R145 | C137-A141 WeakPolarHBondContact O-CB 3.35Å; C137-A141 PolarHBondContact O-N 3.16Å; K138-A141 PolarHBondContact O-N 2.64Å; A141-R145 VanDerWaalsContact O-CB 3.25Å; A141-R145 WeakPolarHBondContact O-CB 3.24Å; A141-R145 PolarHBondContact O-N 3.42Å |
| 142 | K | 61.8 | Low | 59 | Low | 69 Ų | 69 | 54.6 Ų | 54.6 | 30% | 0.3 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 173.4 | -178.7 | -177.4 | 175.8 | -176.7 | 0 | 110.1 | E119 K138 S139 A140 R145 E146 | E119-K142 IonicContact OE1-NZ 3.89Å; E119-K142 PolarHBondContact OE1-NZ 2.76Å; K138-K142 VanDerWaalsContact O-CB 3.27Å; K138-K142 WeakPolarHBondContact O-CB 3.4Å; K138-K142 PolarHBondContact O-N 3.08Å; S139-K142 PolarHBondContact O-N 3.2Å; A140-K142 PolarHBondContact O-N 2.71Å; K142-R145 PolarHBondContact O-N 3.2Å; K142-E146 WeakPolarHBondContact CE-OE1 3.43Å; K142-E146 WeakPolarHBondContact O-CB 3.17Å; K142-E146 WeakPolarHBondContact O-CG 3.35Å; K142-E146 PolarHBondContact O-N 3.45Å |
| 143 | V | 57.2 | Low | 58.4 | Low | 29 Ų | 29 | 53.8 Ų | 53.8 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 176 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | L111 S139 A140 R145 E146 L147 I153 | L111-V143 HydrophobicContact CD1-CG1 4.09Å; S139-V143 WeakPolarHBondContact O-CB 3.29Å; S139-V143 VanDerWaalsContact O-CG2 3.25Å; S139-V143 WeakPolarHBondContact O-CG2 2.87Å; S139-V143 PolarHBondContact O-N 2.98Å; A140-V143 PolarHBondContact O-N 2.78Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 2.91Å; V143-E146 PolarHBondContact O-N 2.69Å; V143-L147 HydrophobicContact CG1-CD1 3.86Å; V143-L147 HydrophobicContact CG1-CG 4.35Å; V143-L147 WeakPolarHBondContact O-CB 3.3Å; V143-L147 VanDerWaalsContact O-CG 3.23Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.46Å; V143-I153 HydrophobicContact CG1-CD1 4.03Å |
| 144 | E | 56.8 | Low | 57.7 | Low | 37 Ų | 37 | 55.2 Ų | 55.2 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -41.2 | 175.8 | -75.9 | -170.5 | 176.7 | 0 | 0 | 112 | A140 L147 G148 M163 F164 | A140-E144 WeakPolarHBondContact O-CB 2.84Å; A140-E144 WeakPolarHBondContact O-CG 3.29Å; A140-E144 PolarHBondContact O-N 3.27Å; E144-L147 PolarHBondContact O-N 2.92Å; E144-G148 PolarHBondContact O-N 3.19Å; E144-M163 HydrophobicContact CB-CG 4.44Å; E144-F164 PolarHBondContact OE2-N 3.1Å; E144-F164 VanDerWaalsContact OE2-N 3.17Å |
| 145 | R | 62.5 | Low | 57 | Low | 159 Ų | 159 | 59.6 Ų | 59.6 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 177.7 | -165.1 | 178.1 | -57.4 | 153.3 | 2.4 | 112.5 | A141 K142 V143 G148 S149 M163 | A141-R145 VanDerWaalsContact O-CB 3.25Å; A141-R145 WeakPolarHBondContact O-CB 3.24Å; A141-R145 PolarHBondContact O-N 3.42Å; K142-R145 PolarHBondContact O-N 3.2Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 2.91Å; R145-G148 PolarHBondContact O-N 3Å; R145-S149 WeakPolarHBondContact O-CB 3.44Å; R145-S149 PolarHBondContact O-N 2.91Å; R145-M163 HydrophobicContact CB-CE 3.26Å; R145-M163 HydrophobicContact CG-CE 3.39Å |
| 146 | E | 61.4 | Low | 56.3 | Low | 48 Ų | 48 | 64.4 Ų | 64.4 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 176.2 | -74.4 | -169.9 | -159 | 0 | 0 | 111.1 | K142 V143 G148 S149 K151 I153 | K142-E146 WeakPolarHBondContact CE-OE1 3.43Å; K142-E146 WeakPolarHBondContact O-CB 3.17Å; K142-E146 WeakPolarHBondContact O-CG 3.35Å; K142-E146 PolarHBondContact O-N 3.45Å; V143-E146 PolarHBondContact O-N 2.69Å; E146-G148 PolarHBondContact O-N 3.26Å; E146-S149 WeakPolarHBondContact CA-OG 2.82Å; E146-S149 PolarHBondContact O-N 2.9Å; E146-S149 PolarHBondContact O-OG 3.24Å; E146-K151 HydrophobicContact CB-CD 4.43Å; E146-K151 HydrophobicContact CG-CD 4.41Å; E146-K151 WeakPolarHBondContact O-CB 3.07Å; E146-K151 PolarHBondContact O-N 2.79Å; E146-K151 IonicContact OE1-NZ 2.73Å; E146-K151 IonicContact OE2-NZ 2.7Å; E146-K151 PolarHBondContact OE2-NZ 3.34Å; E146-I153 HydrophobicContact CB-CD1 3.64Å; E146-I153 HydrophobicContact CB-CG1 4.29Å |
| 147 | L | 57.1 | Low | 55.7 | Low | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 174 | -71.1 | 172 | 0 | 0 | 0 | 112.6 | V143 E144 S149 G150 I153 L157 G159 | V143-L147 HydrophobicContact CG1-CD1 3.86Å; V143-L147 HydrophobicContact CG1-CG 4.35Å; V143-L147 WeakPolarHBondContact O-CB 3.3Å; V143-L147 VanDerWaalsContact O-CG 3.23Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.46Å; E144-L147 PolarHBondContact O-N 2.92Å; L147-S149 VanDerWaalsContact C-N 3.28Å; L147-S149 PolarHBondContact O-N 2.73Å; L147-G150 PolarHBondContact O-N 3.04Å; L147-I153 HydrophobicContact CD2-CB 4.22Å; L147-I153 HydrophobicContact CD2-CD1 3.92Å; L147-I153 HydrophobicContact CD2-CG1 4.04Å; L147-I153 HydrophobicContact CG-CD1 3.76Å; L147-I153 HydrophobicContact CG-CG1 4.41Å; L147-L157 VanDerWaalsContact CD2-C 3.45Å; L147-L157 HydrophobicContact CD2-CB 3.9Å; L147-L157 VanDerWaalsContact CD2-O 3.29Å; L147-L157 WeakPolarHBondContact CD2-O 3.47Å; L147-G159 PolarHBondContact O-N 2.94Å |
| 148 | G | 59.1 | Low | 55.3 | Low | 38 Ų | 38 | 65.6 Ų | 65.6 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -24.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E144 R145 E146 G150 | E144-G148 PolarHBondContact O-N 3.19Å; R145-G148 PolarHBondContact O-N 3Å; E146-G148 PolarHBondContact O-N 3.26Å; G148-G150 PolarHBondContact O-N 3.12Å |
| 149 | S | 68.6 | Low | 54.8 | Low | 86 Ų | 86 | 61.5 Ų | 61.5 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.6 | 175.8 | 73.8 | 0 | 0 | 0 | 0 | 114.3 | R145 E146 L147 K151 | R145-S149 WeakPolarHBondContact O-CB 3.44Å; R145-S149 PolarHBondContact O-N 2.91Å; E146-S149 WeakPolarHBondContact CA-OG 2.82Å; E146-S149 PolarHBondContact O-N 2.9Å; E146-S149 PolarHBondContact O-OG 3.24Å; L147-S149 VanDerWaalsContact C-N 3.28Å; L147-S149 PolarHBondContact O-N 2.73Å; S149-K151 VanDerWaalsContact C-N 3.28Å; S149-K151 PolarHBondContact O-N 3.02Å |
| 150 | G | 60.9 | Low | 54.8 | Low | 38 Ų | 38 | 66.3 Ų | 66.3 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -0.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L147 G148 K152 | L147-G150 PolarHBondContact O-N 3.04Å; G148-G150 PolarHBondContact O-N 3.12Å; G150-K152 PolarHBondContact O-N 3.04Å |
| 151 | K | 59.2 | Low | 54.4 | Low | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | trans | -69.1 | 118.2 | 174 | -167.5 | -179.2 | 174.6 | -161.8 | 0 | 109.1 | E146 S149 I153 | E146-K151 HydrophobicContact CB-CD 4.43Å; E146-K151 HydrophobicContact CG-CD 4.41Å; E146-K151 WeakPolarHBondContact O-CB 3.07Å; E146-K151 PolarHBondContact O-N 2.79Å; E146-K151 IonicContact OE1-NZ 2.73Å; E146-K151 IonicContact OE2-NZ 2.7Å; E146-K151 PolarHBondContact OE2-NZ 3.34Å; S149-K151 VanDerWaalsContact C-N 3.28Å; S149-K151 PolarHBondContact O-N 3.02Å; K151-I153 PolarHBondContact O-N 2.79Å | ||
| 152 | K | 56.5 | Low | 53.7 | Low | 144 Ų | 144 | 78.3 Ų | 78.3 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | trans | -72.8 | 108.5 | 173.8 | -72.6 | -167.8 | 173.3 | -161.5 | 0 | 109.4 | G150 P155 L157 | G150-K152 PolarHBondContact O-N 3.04Å; K152-P155 PolarHBondContact NZ-O 2.91Å; K152-L157 WeakPolarHBondContact CA-O 3.23Å | ||
| 153 | I | 50.9 | Low | 52.9 | Low | 68 Ų | 68 | 80 Ų | 80 | 35% | 0.349 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -86 | -29.3 | 175.9 | -55.6 | 179.4 | 0 | 0 | 0 | 110 | V143 E146 L147 K151 L157 | V143-I153 HydrophobicContact CG1-CD1 4.03Å; E146-I153 HydrophobicContact CB-CD1 3.64Å; E146-I153 HydrophobicContact CB-CG1 4.29Å; L147-I153 HydrophobicContact CD2-CB 4.22Å; L147-I153 HydrophobicContact CD2-CD1 3.92Å; L147-I153 HydrophobicContact CD2-CG1 4.04Å; L147-I153 HydrophobicContact CG-CD1 3.76Å; L147-I153 HydrophobicContact CG-CG1 4.41Å; K151-I153 PolarHBondContact O-N 2.79Å; I153-L157 PolarHBondContact N-O 3.3Å |
| 154 | L | 46.2 | Very low | 52.2 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 30% | 0.304 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -129.4 | 160.8 | 169.6 | -67.8 | 165.6 | 0 | 0 | 0 | 108.2 | E156 L157 | L154-E156 PolarHBondContact O-N 2.71Å; L154-L157 HydrophobicContact CB-CB 4.23Å; L154-L157 HydrophobicContact CD1-CD1 3.83Å; L154-L157 PolarHBondContact O-N 3.04Å |
| 155 | P | 47.4 | Very low | 51.4 | Low | 106 Ų | 106 | 84.7 Ų | 84.7 | 69% | 0.688 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -28.7 | -176.7 | -27.8 | 34.5 | 0 | 0 | 0 | 114.2 | K152 | K152-P155 PolarHBondContact NZ-O 2.91Š|
| 156 | E | 45 | Very low | 50.4 | Low | 125 Ų | 125 | 84 Ų | 84 | 58% | 0.584 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | -6.3 | -170.3 | -57.8 | -108.5 | 170.1 | 0 | 0 | 114.2 | L154 N349 | L154-E156 PolarHBondContact O-N 2.71Å; E156-N349 WeakPolarHBondContact OE1-CB 3.37Å; E156-N349 PolarHBondContact OE1-ND2 3.27Å; E156-N349 PolarHBondContact OE1-OD1 2.78Å; E156-N349 PolarHBondContact OE2-ND2 3.18Å |
| 157 | L | 42.3 | Very low | 49.7 | Very low | 38 Ų | 38 | 89.3 Ų | 89.3 | 20% | 0.199 | 49% | 0.494 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 116.9 | -177.8 | -82.7 | 155.2 | 0 | 0 | 0 | 110.9 | K110 L147 K152 I153 L154 E161 | K110-L157 HydrophobicContact CD-CD2 4.08Å; L147-L157 VanDerWaalsContact CD2-C 3.45Å; L147-L157 HydrophobicContact CD2-CB 3.9Å; L147-L157 VanDerWaalsContact CD2-O 3.29Å; L147-L157 WeakPolarHBondContact CD2-O 3.47Å; K152-L157 WeakPolarHBondContact CA-O 3.23Å; I153-L157 PolarHBondContact N-O 3.3Å; L154-L157 HydrophobicContact CB-CB 4.23Å; L154-L157 HydrophobicContact CD1-CD1 3.83Å; L154-L157 PolarHBondContact O-N 3.04Å; L157-E161 WeakPolarHBondContact CD2-OE1 3.29Å |
| 158 | G | 46.1 | Very low | 49.6 | Very low | 22 Ų | 22 | 90.2 Ų | 90.2 | 23% | 0.227 | 50% | 0.501 | C | S | . | . | trans | 139.4 | 139.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 159 | G | 46.1 | Very low | 49.5 | Very low | 46 Ų | 46 | 89.5 Ų | 89.5 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | S | Bend | trans | 145.7 | -38.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | L147 | L147-G159 PolarHBondContact O-N 2.94Š|
| 160 | S | 54.5 | Low | 49.2 | Very low | 114 Ų | 114 | 90.6 Ų | 90.6 | 80% | 0.797 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -164.9 | 22 | -169.1 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 161 | E | 45.1 | Very low | 49.6 | Very low | 63 Ų | 63 | 91.1 Ų | 91.1 | 29% | 0.294 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 126.7 | -177.9 | -62.8 | -163.9 | -168.8 | 0 | 0 | 111.4 | K110 L157 M163 | K110-E161 VanDerWaalsContact CD-OE2 3.29Å; K110-E161 WeakPolarHBondContact CD-OE2 3.38Å; K110-E161 WeakPolarHBondContact CE-OE2 3.32Å; K110-E161 IonicContact NZ-OE1 2.72Å; K110-E161 PolarHBondContact NZ-OE1 3.12Å; K110-E161 IonicContact NZ-OE2 3.38Å; K110-E161 PolarHBondContact NZ-OE2 2.78Å; L157-E161 WeakPolarHBondContact CD2-OE1 3.29Å; E161-M163 PolarHBondContact O-N 3.2Å |
| 162 | R | 43.4 | Very low | 50.3 | Low | 233 Ų | 233 | 87.8 Ų | 87.8 | 88% | 0.879 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 125.4 | 171.5 | -76.8 | -176.8 | 171 | -177.2 | -2.7 | 109 | F164 | R162-F164 PolarHBondContact O-N 3.16Š|
| 163 | M | 44.5 | Very low | 51.4 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 51% | 0.507 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 130.3 | 167.5 | -77 | -175.5 | 161.7 | 0 | 0 | 109.8 | E144 R145 E161 | E144-M163 HydrophobicContact CB-CG 4.44Å; R145-M163 HydrophobicContact CB-CE 3.26Å; R145-M163 HydrophobicContact CG-CE 3.39Å; E161-M163 PolarHBondContact O-N 3.2Å |
| 164 | F | 42.8 | Very low | 52.8 | Low | 118 Ų | 118 | 88 Ų | 88 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | trans | -103.1 | -12.6 | -170.6 | -155.1 | -95.3 | 0 | 0 | 0 | 112.9 | K109 E144 R162 | K109-F164 HydrophobicContact CB-CD1 4.14Å; K109-F164 HydrophobicContact CB-CG 4.3Å; K109-F164 HydrophobicContact CD-CD1 4.03Å; K109-F164 HydrophobicContact CD-CD2 3.91Å; K109-F164 HydrophobicContact CD-CE1 3.76Å; K109-F164 HydrophobicContact CD-CE2 3.65Å; K109-F164 HydrophobicContact CD-CG 4.12Å; K109-F164 HydrophobicContact CD-CZ 3.58Å; K109-F164 HydrophobicContact CG-CD1 4.29Å; K109-F164 HydrophobicContact CG-CE1 4.21Å; K109-F164 HydrophobicContact CG-CZ 4.5Å; K109-F164 VanDerWaalsContact NZ-CZ 3.27Å; E144-F164 PolarHBondContact OE2-N 3.1Å; E144-F164 VanDerWaalsContact OE2-N 3.17Å; R162-F164 PolarHBondContact O-N 3.16Å | ||
| 165 | S | 40.7 | Very low | 54.3 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 34% | 0.336 | 49% | 0.489 | S | S | . | . | trans | -141 | 122.2 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 114.7 | M167 C168 | S165-M167 PolarHBondContact O-N 2.75Å; S165-C168 PolarHBondContact OG-SG 3.22Å | ||
| 166 | T | 40.9 | Very low | 55.6 | Low | 143 Ų | 143 | 88 Ų | 88 | 88% | 0.877 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -66.6 | 105.8 | 154.9 | 39.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 167 | M | 47.2 | Very low | 56.8 | Low | 160 Ų | 160 | 86.4 Ų | 86.4 | 79% | 0.788 | 48% | 0.475 | S | S | * | . | trans | 27.4 | 95.4 | 174.8 | -63.4 | -160.2 | -147.5 | 0 | 0 | 116.5 | S165 A169 | S165-M167 PolarHBondContact O-N 2.75Å; M167-A169 PolarHBondContact O-N 3.2Å | ||
| 168 | C | 53.4 | Low | 58.1 | Low | 28 Ų | 28 | 85.7 Ų | 85.7 | 19% | 0.189 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 2.3 | 178.2 | 2.1 | 0 | 0 | 0 | 0 | 115.1 | C137 S165 | C137-C168 HydrophobicContact CB-CB 3.9Å; C137-C168 PolarHBondContact SG-O 3.44Å; S165-C168 PolarHBondContact OG-SG 3.22Å |
| 169 | A | 57.1 | Low | 59.1 | Low | 24 Ų | 24 | 87.9 Ų | 87.9 | 20% | 0.198 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -16.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q75 N76 C137 M167 | Q75-A169 CarbonylContact C-O 3.58Å; Q75-A169 WeakPolarHBondContact CA-O 3.22Å; N76-A169 PolarHBondContact N-O 3.49Å; C137-A169 HydrophobicContact CB-CB 3.87Å; M167-A169 PolarHBondContact O-N 3.2Å |
| 170 | E | 63.2 | Low | 60.2 | Low | 108 Ų | 108 | 86.8 Ų | 86.8 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.1 | -179 | -169 | 164.2 | -155.4 | 0 | 0 | 110.8 | L74 Q75 | L74-E170 CarbonylContact O-C 3.57Å; L74-E170 VanDerWaalsContact O-CA 3.3Å; L74-E170 WeakPolarHBondContact O-CA 3.1Å; Q75-E170 HydrophobicContact CG-CG 4.12Å; Q75-E170 PolarHBondContact NE2-OE1 2.68Å |
| 171 | I | 69.3 | Low | 60.9 | Low | 49 Ų | 49 | 84 Ų | 84 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.1 | 172.9 | -62 | 179.9 | 0 | 0 | 0 | 107.7 | V70 S73 L74 I77 Y176 | V70-I171 HydrophobicContact CB-CG2 4.35Å; V70-I171 HydrophobicContact CG1-CG2 4.19Å; V70-I171 HydrophobicContact CG2-CG2 3.53Å; S73-I171 WeakPolarHBondContact CA-O 3.49Å; L74-I171 HydrophobicContact CB-CB 4.31Å; L74-I171 PolarHBondContact N-O 3.19Å; L74-I171 PolarHBondContact O-N 3.3Å; I77-I171 HydrophobicContact CD1-CB 3.9Å; I77-I171 HydrophobicContact CD1-CD1 3.26Å; I77-I171 HydrophobicContact CD1-CG1 3.36Å; I171-Y176 HydrophobicContact CG2-CD2 4.12Å; I171-Y176 HydrophobicContact CG2-CE1 4.46Å; I171-Y176 HydrophobicContact CG2-CE2 3.45Å; I171-Y176 VanDerWaalsContact CG2-CE2 3.45Å |
| 172 | A | 73 | Confident | 62.1 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | trans | -70.4 | 157.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V70 K174 Y176 | V70-A172 WeakPolarHBondContact CB-O 3.44Å; V70-A172 WeakPolarHBondContact CG1-O 3.48Å; A172-K174 PolarHBondContact O-N 2.79Å; A172-Y176 PolarHBondContact N-OH 2.81Å; A172-Y176 WeakPolarHBondContact O-CE2 3.49Å; A172-Y176 PolarHBondContact O-OH 2.82Å | ||
| 173 | P | 81 | Confident | 63.4 | Low | 76 Ų | 76 | 71 Ų | 71 | 49% | 0.494 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -62.5 | 94.3 | 169 | -14.9 | 26.8 | 0 | 0 | 0 | 111 | V70 | V70-P173 CarbonylContact O-C 3.58Å; V70-P173 WeakPolarHBondContact O-CA 3.49Å |
| 174 | K | 80.7 | Confident | 64.8 | Low | 141 Ų | 141 | 66.3 Ų | 66.3 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -155.8 | 170.2 | -178.3 | -159.2 | 171.3 | -177 | 176.6 | 0 | 110 | V70 A172 Y176 | V70-K174 WeakPolarHBondContact CB-O 3.41Å; V70-K174 PolarHBondContact N-O 3.23Å; V70-K174 PolarHBondContact O-N 3.4Å; A172-K174 PolarHBondContact O-N 2.79Å; K174-Y176 HydrophobicContact CB-CD2 4.36Å; K174-Y176 HydrophobicContact CB-CE2 3.59Å; K174-Y176 VanDerWaalsContact O-CD2 3.31Å; K174-Y176 WeakPolarHBondContact O-CD2 3Å; K174-Y176 WeakPolarHBondContact O-CE2 3.4Å |
| 175 | T | 76.7 | Confident | 66.1 | Low | 77 Ų | 77 | 61.4 Ų | 61.4 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.9 | 170.4 | -53.9 | 0 | 0 | 0 | 0 | 110.4 | K67 I68 | K67-T175 VanDerWaalsContact CA-CG2 3.46Å; K67-T175 HydrophobicContact CB-CG2 3.98Å; K67-T175 HydrophobicContact CG-CG2 4.39Å; I68-T175 CarbonylContact O-C 3.52Å; I68-T175 VanDerWaalsContact O-CA 3.27Å; I68-T175 WeakPolarHBondContact O-CA 3.32Å |
| 176 | Y | 74.4 | Confident | 67.6 | Low | 88 Ų | 88 | 60 Ų | 60 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 169.5 | -180 | -63.5 | -91.8 | 0 | 0 | 0 | 110.9 | K67 I68 V70 I171 A172 K174 | K67-Y176 CarbonylContact C-O 3.53Å; K67-Y176 WeakPolarHBondContact CA-O 3.29Å; K67-Y176 PolarHBondContact N-O 2.77Å; I68-Y176 PolarHBondContact N-O 2.92Å; I68-Y176 PolarHBondContact O-N 3.25Å; V70-Y176 HydrophobicContact CB-CE2 4.34Å; V70-Y176 HydrophobicContact CG2-CD2 3.64Å; V70-Y176 HydrophobicContact CG2-CE2 3.69Å; I171-Y176 HydrophobicContact CG2-CD2 4.12Å; I171-Y176 HydrophobicContact CG2-CE1 4.46Å; I171-Y176 HydrophobicContact CG2-CE2 3.45Å; I171-Y176 VanDerWaalsContact CG2-CE2 3.45Å; A172-Y176 PolarHBondContact N-OH 2.81Å; A172-Y176 WeakPolarHBondContact O-CE2 3.49Å; A172-Y176 PolarHBondContact O-OH 2.82Å; K174-Y176 HydrophobicContact CB-CD2 4.36Å; K174-Y176 HydrophobicContact CB-CE2 3.59Å; K174-Y176 VanDerWaalsContact O-CD2 3.31Å; K174-Y176 WeakPolarHBondContact O-CD2 3Å; K174-Y176 WeakPolarHBondContact O-CE2 3.4Å |
| 177 | S | 70 | Confident | 69.3 | Low | 91 Ų | 91 | 55.5 Ų | 55.5 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.6 | 166.4 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | F65 | F65-S177 WeakPolarHBondContact O-CA 3.27Å |
| 178 | L | 69.4 | Low | 70.6 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.4 | 175.5 | 175.9 | 69.2 | 0 | 0 | 0 | 108.2 | F65 I68 A105 R180 L220 | F65-L178 HydrophobicContact CB-CB 4.21Å; F65-L178 HydrophobicContact CD2-CB 4.36Å; F65-L178 HydrophobicContact CD2-CD2 4.04Å; F65-L178 HydrophobicContact CD2-CG 4.29Å; F65-L178 HydrophobicContact CE2-CD2 4.48Å; F65-L178 PolarHBondContact N-O 3.3Å; F65-L178 PolarHBondContact O-N 3.28Å; I68-L178 HydrophobicContact CD1-CB 3.74Å; A105-L178 HydrophobicContact CB-CD2 4.31Å; L178-R180 HydrophobicContact CD1-CG 4.37Å; L178-R180 HydrophobicContact CG-CG 4.32Å; L178-L220 HydrophobicContact CD2-CD2 4.07Å |
| 179 | T | 68.6 | Low | 71.5 | Confident | 68 Ų | 68 | 54 Ų | 54 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.8 | 174.9 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | V62 I63 N64 | V62-T179 HydrophobicContact CG1-CG2 3.3Å; I63-T179 CarbonylContact O-C 3.6Å; I63-T179 VanDerWaalsContact O-CA 3.31Å; I63-T179 WeakPolarHBondContact O-CA 3.2Å; N64-T179 PolarHBondContact ND2-OG1 3.47Å |
| 180 | R | 68.1 | Low | 72.2 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 127.2 | -178.1 | -72.1 | -69.2 | -176.7 | -177.2 | -2.2 | 111.7 | V62 I63 L81 V106 L178 | V62-R180 CarbonylContact C-O 3.56Å; V62-R180 WeakPolarHBondContact CA-O 3.32Å; I63-R180 PolarHBondContact N-O 3.49Å; I63-R180 PolarHBondContact O-N 2.89Å; L81-R180 HydrophobicContact CD2-CB 3.98Å; L81-R180 HydrophobicContact CD2-CG 3.52Å; V106-R180 PolarHBondContact O-NH2 2.52Å; L178-R180 HydrophobicContact CD1-CG 4.37Å; L178-R180 HydrophobicContact CG-CG 4.32Å |
| 181 | T | 69 | Low | 72.6 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.2 | 168.8 | -48.6 | 0 | 0 | 0 | 0 | 109.7 | D60 F61 V62 R341 | D60-T181 HydrophobicContact CB-CG2 3.78Å; F61-T181 CarbonylContact O-C 3.6Å; F61-T181 WeakPolarHBondContact O-CA 3.18Å; V62-T181 HydrophobicContact CG2-CG2 4.43Å; T181-R341 PolarHBondContact O-NH2 3.01Å |
| 182 | V | 71.3 | Confident | 72.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 135 | 174.9 | -176 | 0 | 0 | 0 | 0 | 107.8 | D60 F61 I63 V83 I101 | D60-V182 VanDerWaalsContact CA-O 3.32Å; D60-V182 WeakPolarHBondContact CA-O 3.45Å; F61-V182 HydrophobicContact CD1-CB 4.07Å; F61-V182 HydrophobicContact CD1-CG1 4.4Å; F61-V182 HydrophobicContact CD2-CB 4.24Å; F61-V182 HydrophobicContact CE1-CB 3.51Å; F61-V182 HydrophobicContact CE1-CG1 3.47Å; F61-V182 VanDerWaalsContact CE1-CG1 3.47Å; F61-V182 HydrophobicContact CE1-CG2 4.48Å; F61-V182 HydrophobicContact CE2-CB 3.73Å; F61-V182 HydrophobicContact CE2-CG1 4.27Å; F61-V182 HydrophobicContact CE2-CG2 3.85Å; F61-V182 HydrophobicContact CG-CB 4.39Å; F61-V182 HydrophobicContact CZ-CB 3.3Å; F61-V182 HydrophobicContact CZ-CG1 3.37Å; F61-V182 HydrophobicContact CZ-CG2 3.79Å; F61-V182 PolarHBondContact N-O 2.84Å; F61-V182 PolarHBondContact O-N 2.91Å; I63-V182 HydrophobicContact CD1-CG2 3.84Å; I63-V182 HydrophobicContact CG1-CG2 4.17Å; V83-V182 HydrophobicContact CG2-CG1 3.56Å; V83-V182 HydrophobicContact CG2-CG2 4.42Å; I101-V182 HydrophobicContact CD1-CB 4.44Å; I101-V182 HydrophobicContact CD1-CG1 4.21Å; I101-V182 HydrophobicContact CD1-CG2 3.62Å; I101-V182 HydrophobicContact CG1-CG1 4.35Å |
| 183 | S | 69.9 | Low | 72.5 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.1 | 177.3 | -53.5 | 0 | 0 | 0 | 0 | 109.2 | D60 R341 | D60-S183 VanDerWaalsContact OD1-CA 3.23Å; D60-S183 WeakPolarHBondContact OD1-CA 3.46Å; D60-S183 WeakPolarHBondContact OD1-CB 3.27Å; D60-S183 PolarHBondContact OD1-OG 3.43Å; S183-R341 VanDerWaalsContact OG-CZ 3.28Å; S183-R341 PolarHBondContact OG-NE 3.3Å; S183-R341 PolarHBondContact OG-NH2 3.19Å |
| 184 | L | 73.4 | Confident | 71.8 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.3 | 171.6 | -97.4 | 146.2 | 0 | 0 | 0 | 109.5 | F21 I55 A57 P58 G59 F61 W99 F216 | F21-L184 HydrophobicContact CD2-CD2 4.4Å; F21-L184 HydrophobicContact CE2-CD2 4.02Å; F21-L184 HydrophobicContact CZ-CD2 4.28Å; I55-L184 HydrophobicContact CB-CD1 3.93Å; I55-L184 HydrophobicContact CD1-CD1 3.92Å; I55-L184 HydrophobicContact CG2-CD1 3.36Å; A57-L184 HydrophobicContact CB-CB 4.43Å; P58-L184 WeakPolarHBondContact CA-O 3.42Å; G59-L184 PolarHBondContact N-O 3.15Å; G59-L184 PolarHBondContact O-N 2.91Å; F61-L184 HydrophobicContact CD1-CD1 3.89Å; F61-L184 HydrophobicContact CE1-CD1 3.64Å; F61-L184 HydrophobicContact CE1-CG 4.23Å; W99-L184 HydrophobicContact CZ2-CD2 4.16Å; L184-F216 HydrophobicContact CD1-CZ 4.48Å; L184-F216 HydrophobicContact CD2-CE2 4.17Å; L184-F216 HydrophobicContact CG-CE2 4.41Å |
| 185 | P | 70.8 | Confident | 71.2 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 160.8 | 173.1 | 27 | -34.4 | 0 | 0 | 0 | 111.9 | W99 E189 L190 | W99-P185 HydrophobicContact CH2-CG 4.41Å; W99-P185 HydrophobicContact CZ2-CG 4.43Å; P185-E189 VanDerWaalsContact CA-OE2 3.26Å; P185-E189 WeakPolarHBondContact CA-OE2 3.44Å; P185-E189 HydrophobicContact CB-CB 3.78Å; P185-E189 WeakPolarHBondContact CB-OE2 3.31Å; P185-L190 HydrophobicContact CB-CG 4.43Å; P185-L190 HydrophobicContact CG-CD2 3.57Å; P185-L190 HydrophobicContact CG-CG 3.81Å |
| 186 | S | 72.5 | Confident | 70.7 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 168.3 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | E188 E189 L190 | S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact O-N 3.18Å; S186-E189 PolarHBondContact N-OE2 3.49Å; S186-E189 VanDerWaalsContact N-OE2 3.15Å; S186-E189 PolarHBondContact O-N 3.06Å; S186-E189 WeakPolarHBondContact OG-CG 3.02Å; S186-E189 PolarHBondContact OG-N 3.36Å; S186-L190 WeakPolarHBondContact O-CG 3.09Å; S186-L190 PolarHBondContact O-N 2.84Å |
| 187 | K | 76.6 | Confident | 70.2 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.2 | -47.9 | 173.4 | 179.9 | -177.3 | 162.3 | -174.7 | 0 | 111.3 | D18 L19 E189 L190 E191 E290 | D18-K187 HydrophobicContact CB-CB 4.45Å; D18-K187 PolarHBondContact OD1-N 3.2Å; D18-K187 WeakPolarHBondContact OD2-CB 3.21Å; D18-K187 PolarHBondContact OD2-N 2.56Å; L19-K187 HydrophobicContact CB-CB 4.21Å; L19-K187 HydrophobicContact CD2-CB 4.42Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 PolarHBondContact O-N 2.84Å; K187-L190 WeakPolarHBondContact O-CB 3.25Å; K187-L190 PolarHBondContact O-N 3.16Å; K187-E191 WeakPolarHBondContact CE-OE1 3.33Å; K187-E191 WeakPolarHBondContact O-CG 3.26Å; K187-E191 PolarHBondContact O-N 2.85Å; K187-E290 HydrophobicContact CD-CG 4.47Å; K187-E290 VanDerWaalsContact CE-OE1 3.29Å; K187-E290 WeakPolarHBondContact CE-OE1 2.99Å; K187-E290 IonicContact NZ-OE1 2.68Å; K187-E290 PolarHBondContact NZ-OE1 2.73Å; K187-E290 IonicContact NZ-OE2 2.92Å; K187-E290 PolarHBondContact NZ-OE2 3.47Å |
| 188 | E | 75.2 | Confident | 70 | Confident | 126 Ų | 126 | 44.1 Ų | 44.1 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63 | -39.1 | -177.6 | -164.7 | 172.5 | -175 | 0 | 0 | 111.7 | S186 E191 Q192 | S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact O-N 3.18Å; E188-E191 PolarHBondContact O-N 2.86Å; E188-Q192 WeakPolarHBondContact O-CG 3.4Å; E188-Q192 PolarHBondContact O-N 3.35Å |
| 189 | E | 71.3 | Confident | 69.4 | Low | 31 Ų | 31 | 51.3 Ų | 51.3 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 175.3 | -74.7 | 177.6 | 158.6 | 0 | 0 | 112.6 | P185 S186 K187 Q192 M193 T340 | P185-E189 VanDerWaalsContact CA-OE2 3.26Å; P185-E189 WeakPolarHBondContact CA-OE2 3.44Å; P185-E189 HydrophobicContact CB-CB 3.78Å; P185-E189 WeakPolarHBondContact CB-OE2 3.31Å; S186-E189 PolarHBondContact N-OE2 3.49Å; S186-E189 VanDerWaalsContact N-OE2 3.15Å; S186-E189 PolarHBondContact O-N 3.06Å; S186-E189 WeakPolarHBondContact OG-CG 3.02Å; S186-E189 PolarHBondContact OG-N 3.36Å; K187-E189 VanDerWaalsContact C-N 3.32Å; K187-E189 PolarHBondContact O-N 2.84Å; E189-Q192 PolarHBondContact O-N 3.19Å; E189-M193 WeakPolarHBondContact O-CB 3.4Å; E189-M193 VanDerWaalsContact O-CG 3.3Å; E189-M193 WeakPolarHBondContact O-CG 3.49Å; E189-M193 PolarHBondContact O-N 2.89Å; E189-T340 VanDerWaalsContact CD-CG2 3.44Å; E189-T340 HydrophobicContact CG-CG2 4.48Å; E189-T340 WeakPolarHBondContact OE1-CA 3.11Å; E189-T340 WeakPolarHBondContact OE1-CG2 3.31Å |
| 190 | L | 72.5 | Confident | 68.7 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.7 | -74.3 | 170.7 | 0 | 0 | 0 | 110.8 | L19 F21 L85 W99 P185 S186 K187 Q192 M193 V194 I211 | L19-L190 HydrophobicContact CD2-CD1 4.03Å; F21-L190 HydrophobicContact CE2-CD1 4.4Å; F21-L190 HydrophobicContact CZ-CD1 3.83Å; L85-L190 HydrophobicContact CD2-CD1 4.47Å; L85-L190 HydrophobicContact CD2-CD2 3.82Å; W99-L190 HydrophobicContact CH2-CD2 3.71Å; W99-L190 HydrophobicContact CZ3-CD2 3.76Å; P185-L190 HydrophobicContact CB-CG 4.43Å; P185-L190 HydrophobicContact CG-CD2 3.57Å; P185-L190 HydrophobicContact CG-CG 3.81Å; S186-L190 WeakPolarHBondContact O-CG 3.09Å; S186-L190 PolarHBondContact O-N 2.84Å; K187-L190 WeakPolarHBondContact O-CB 3.25Å; K187-L190 PolarHBondContact O-N 3.16Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.7Å; L190-M193 PolarHBondContact O-N 3.02Å; L190-V194 WeakPolarHBondContact O-CB 3.49Å; L190-V194 WeakPolarHBondContact O-CG2 2.79Å; L190-V194 PolarHBondContact O-N 3.41Å; L190-I211 HydrophobicContact CB-CD1 4.3Å; L190-I211 HydrophobicContact CD1-CD1 4.25Å |
| 191 | E | 71.6 | Confident | 68.1 | Low | 76 Ų | 76 | 54.5 Ų | 54.5 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 176.3 | -72.2 | 177.7 | 174.9 | 0 | 0 | 111.9 | K187 E188 V194 N195 | K187-E191 WeakPolarHBondContact CE-OE1 3.33Å; K187-E191 WeakPolarHBondContact O-CG 3.26Å; K187-E191 PolarHBondContact O-N 2.85Å; E188-E191 PolarHBondContact O-N 2.86Å; E191-V194 WeakPolarHBondContact O-CB 3.45Å; E191-V194 PolarHBondContact O-N 3.16Å; E191-N195 WeakPolarHBondContact O-CB 3.45Å; E191-N195 PolarHBondContact O-N 3.46Å; E191-N195 PolarHBondContact O-ND2 3.2Å; E191-N195 VanDerWaalsContact O-ND2 3.13Å |
| 192 | Q | 70.9 | Confident | 67.5 | Low | 96 Ų | 96 | 57.4 Ų | 57.4 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 174.2 | -73.7 | 179.5 | 14.7 | 0 | 0 | 112.4 | E188 E189 L190 V194 N195 Q196 | E188-Q192 WeakPolarHBondContact O-CG 3.4Å; E188-Q192 PolarHBondContact O-N 3.35Å; E189-Q192 PolarHBondContact O-N 3.19Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.7Å; Q192-V194 VanDerWaalsContact C-N 3.32Å; Q192-V194 PolarHBondContact O-N 2.73Å; Q192-N195 PolarHBondContact O-N 2.84Å; Q192-Q196 WeakPolarHBondContact O-CB 3.46Å; Q192-Q196 WeakPolarHBondContact O-CG 3.21Å; Q192-Q196 PolarHBondContact O-N 2.92Å |
| 193 | M | 68.8 | Low | 67 | Low | 18 Ų | 18 | 61.8 Ų | 61.8 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.1 | -76.4 | 170.6 | 58.6 | 0 | 0 | 111.8 | I97 W99 E189 L190 R197 | I97-M193 HydrophobicContact CG2-CE 3.69Å; W99-M193 HydrophobicContact CB-CE 4.18Å; W99-M193 HydrophobicContact CD2-CE 4.18Å; W99-M193 HydrophobicContact CE3-CE 3.53Å; W99-M193 HydrophobicContact CG-CE 4.49Å; W99-M193 HydrophobicContact CZ3-CE 4.14Å; E189-M193 WeakPolarHBondContact O-CB 3.4Å; E189-M193 VanDerWaalsContact O-CG 3.3Å; E189-M193 WeakPolarHBondContact O-CG 3.49Å; E189-M193 PolarHBondContact O-N 2.89Å; L190-M193 PolarHBondContact O-N 3.02Å; M193-R197 PolarHBondContact O-N 3.06Å |
| 194 | V | 66.9 | Low | 66.5 | Low | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.9 | -56.9 | 170.8 | 168.1 | 0 | 0 | 0 | 0 | 108.9 | F95 I97 L190 E191 Q192 Q196 R197 Y198 F209 | F95-V194 HydrophobicContact CE1-CB 4.3Å; F95-V194 HydrophobicContact CE1-CG1 4.43Å; F95-V194 HydrophobicContact CE1-CG2 3.81Å; I97-V194 HydrophobicContact CD1-CG2 3.53Å; L190-V194 WeakPolarHBondContact O-CB 3.49Å; L190-V194 WeakPolarHBondContact O-CG2 2.79Å; L190-V194 PolarHBondContact O-N 3.41Å; E191-V194 WeakPolarHBondContact O-CB 3.45Å; E191-V194 PolarHBondContact O-N 3.16Å; Q192-V194 VanDerWaalsContact C-N 3.32Å; Q192-V194 PolarHBondContact O-N 2.73Å; V194-Q196 VanDerWaalsContact C-N 3.31Å; V194-Q196 PolarHBondContact O-N 2.66Å; V194-R197 PolarHBondContact O-N 3.23Å; V194-R197 VanDerWaalsContact O-N 3.1Å; V194-Y198 HydrophobicContact CB-CD2 4.37Å; V194-Y198 HydrophobicContact CG1-CD2 3.44Å; V194-Y198 VanDerWaalsContact CG1-CD2 3.44Å; V194-Y198 HydrophobicContact CG1-CE2 3.69Å; V194-Y198 WeakPolarHBondContact O-CB 2.63Å; V194-Y198 WeakPolarHBondContact O-CD2 3.25Å; V194-Y198 PolarHBondContact O-N 3.46Å; V194-F209 HydrophobicContact CB-CE1 4.47Å; V194-F209 HydrophobicContact CB-CZ 4.34Å; V194-F209 HydrophobicContact CG1-CD1 4.09Å; V194-F209 HydrophobicContact CG1-CD2 3.95Å; V194-F209 HydrophobicContact CG1-CE1 4.19Å; V194-F209 HydrophobicContact CG1-CE2 4.06Å; V194-F209 HydrophobicContact CG1-CG 3.97Å; V194-F209 HydrophobicContact CG1-CZ 4.19Å; V194-F209 HydrophobicContact CG2-CD2 4.35Å; V194-F209 HydrophobicContact CG2-CE1 3.81Å; V194-F209 HydrophobicContact CG2-CE2 3.62Å; V194-F209 HydrophobicContact CG2-CZ 3.31Å |
| 195 | N | 67.5 | Low | 65.7 | Low | 72 Ų | 72 | 64.8 Ų | 64.8 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.9 | -40 | -177.4 | -76.4 | -31.5 | 0 | 0 | 0 | 113.4 | E191 Q192 Y198 R206 | E191-N195 WeakPolarHBondContact O-CB 3.45Å; E191-N195 PolarHBondContact O-N 3.46Å; E191-N195 PolarHBondContact O-ND2 3.2Å; E191-N195 VanDerWaalsContact O-ND2 3.13Å; Q192-N195 PolarHBondContact O-N 2.84Å; N195-Y198 CarbonylContact O-C 3.58Å; N195-Y198 PolarHBondContact O-N 3.37Å; N195-R206 PolarHBondContact O-NH2 3.29Å |
| 196 | Q | 66.6 | Low | 65.1 | Low | 97 Ų | 97 | 68.9 Ų | 68.9 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 175.6 | -79.7 | 177.7 | -4.4 | 0 | 0 | 111.9 | Q192 V194 Y198 R336 | Q192-Q196 WeakPolarHBondContact O-CB 3.46Å; Q192-Q196 WeakPolarHBondContact O-CG 3.21Å; Q192-Q196 PolarHBondContact O-N 2.92Å; V194-Q196 VanDerWaalsContact C-N 3.31Å; V194-Q196 PolarHBondContact O-N 2.66Å; Q196-Y198 PolarHBondContact O-N 2.64Å; Q196-R336 VanDerWaalsContact OE1-NH2 3.08Å |
| 197 | R | 63 | Low | 64.4 | Low | 108 Ų | 108 | 72.3 Ų | 72.3 | 41% | 0.408 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.2 | -22.6 | 175.8 | -103.1 | -146.7 | -177 | 165.5 | 6.5 | 113.2 | F95 N96 D127 M193 V194 | F95-R197 HydrophobicContact CE2-CB 4.13Å; F95-R197 HydrophobicContact CZ-CB 3.77Å; F95-R197 HydrophobicContact CZ-CG 4.47Å; N96-R197 PolarHBondContact O-NH1 3.37Å; D127-R197 IonicContact OD2-CZ 2.56Å; D127-R197 IonicContact OD2-NE 3.13Å; D127-R197 PolarHBondContact OD2-NE 2.77Å; D127-R197 IonicContact OD2-NH2 2.73Å; D127-R197 PolarHBondContact OD2-NH2 2Å; M193-R197 PolarHBondContact O-N 3.06Å; V194-R197 PolarHBondContact O-N 3.23Å; V194-R197 VanDerWaalsContact O-N 3.1Å |
| 198 | Y | 65.9 | Low | 63.5 | Low | 20 Ų | 20 | 75.7 Ų | 75.7 | 8% | 0.078 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 13.8 | -179 | -83.2 | -58.5 | 0 | 0 | 0 | 115.8 | I89 F95 V194 N195 Q196 G200 M201 R206 | I89-Y198 HydrophobicContact CD1-CE2 3.68Å; I89-Y198 WeakPolarHBondContact CD1-OH 3.07Å; F95-Y198 HydrophobicContact CD1-CE2 4.06Å; F95-Y198 AromaticContact CD2-CE2 3.86Å; F95-Y198 HydrophobicContact CD2-CE2 3.86Å; F95-Y198 AromaticContact CD2-CZ 3.55Å; F95-Y198 WeakPolarHBondContact CD2-OH 3.31Å; F95-Y198 AromaticContact CE1-CE2 3.71Å; F95-Y198 HydrophobicContact CE1-CE2 3.71Å; F95-Y198 HydrophobicContact CE2-CD2 4.33Å; F95-Y198 HydrophobicContact CE2-CE1 4.29Å; F95-Y198 AromaticContact CE2-CE2 3.5Å; F95-Y198 HydrophobicContact CE2-CE2 3.5Å; F95-Y198 VanDerWaalsContact CE2-CE2 3.5Å; F95-Y198 AromaticContact CE2-CZ 3.47Å; F95-Y198 VanDerWaalsContact CE2-CZ 3.47Å; F95-Y198 VanDerWaalsContact CE2-OH 3.29Å; F95-Y198 WeakPolarHBondContact CE2-OH 3.41Å; F95-Y198 HydrophobicContact CG-CE2 4.1Å; F95-Y198 VanDerWaalsContact CG-OH 3.24Å; F95-Y198 WeakPolarHBondContact CG-OH 3.45Å; F95-Y198 HydrophobicContact CZ-CD2 4.05Å; F95-Y198 AromaticContact CZ-CE2 3.42Å; F95-Y198 HydrophobicContact CZ-CE2 3.42Å; F95-Y198 VanDerWaalsContact CZ-CE2 3.42Å; F95-Y198 AromaticContact CZ-CZ 3.93Å; V194-Y198 HydrophobicContact CB-CD2 4.37Å; V194-Y198 HydrophobicContact CG1-CD2 3.44Å; V194-Y198 VanDerWaalsContact CG1-CD2 3.44Å; V194-Y198 HydrophobicContact CG1-CE2 3.69Å; V194-Y198 WeakPolarHBondContact O-CB 2.63Å; V194-Y198 WeakPolarHBondContact O-CD2 3.25Å; V194-Y198 PolarHBondContact O-N 3.46Å; N195-Y198 CarbonylContact O-C 3.58Å; N195-Y198 PolarHBondContact O-N 3.37Å; Q196-Y198 PolarHBondContact O-N 2.64Å; Y198-G200 PolarHBondContact O-N 3.45Å; Y198-M201 HydrophobicContact CD1-CB 3.51Å; Y198-M201 HydrophobicContact CD1-CE 3.81Å; Y198-M201 HydrophobicContact CD1-CG 4.31Å; Y198-M201 HydrophobicContact CD1-SD 3.96Å; Y198-M201 HydrophobicContact CE1-CB 4Å; Y198-M201 HydrophobicContact CE1-CE 3.17Å; Y198-M201 HydrophobicContact CE1-CG 4.31Å; Y198-M201 HydrophobicContact CE1-SD 3.4Å; Y198-M201 WeakPolarHBondContact CE1-SD 2.83Å; Y198-M201 PolarHBondContact O-N 3.35Å; Y198-R206 HydrophobicContact CG-CG 4.46Å |
| 199 | Q | 57.4 | Low | 62.7 | Low | 173 Ų | 173 | 71.3 Ų | 71.3 | 81% | 0.808 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 15.7 | 177 | -78.4 | -168.6 | -14.8 | 0 | 0 | 115.7 | ||
| 200 | G | 54.3 | Low | 62.4 | Low | 83 Ų | 83 | 77.5 Ų | 77.5 | 86% | 0.856 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.7 | 12.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y198 | Y198-G200 PolarHBondContact O-N 3.45Š|
| 201 | M | 53.9 | Low | 62.2 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 37% | 0.365 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -111.9 | 147.1 | -178.6 | -139.4 | 170.2 | 79.3 | 0 | 0 | 112 | Y198 L205 | Y198-M201 HydrophobicContact CD1-CB 3.51Å; Y198-M201 HydrophobicContact CD1-CE 3.81Å; Y198-M201 HydrophobicContact CD1-CG 4.31Å; Y198-M201 HydrophobicContact CD1-SD 3.96Å; Y198-M201 HydrophobicContact CE1-CB 4Å; Y198-M201 HydrophobicContact CE1-CE 3.17Å; Y198-M201 HydrophobicContact CE1-CG 4.31Å; Y198-M201 HydrophobicContact CE1-SD 3.4Å; Y198-M201 WeakPolarHBondContact CE1-SD 2.83Å; Y198-M201 PolarHBondContact O-N 3.35Å; M201-L205 HydrophobicContact CE-CB 3.33Å; M201-L205 HydrophobicContact CE-CD1 3.71Å; M201-L205 HydrophobicContact CE-CD2 4.01Å; M201-L205 HydrophobicContact CE-CG 3.84Å; M201-L205 HydrophobicContact CG-CD1 4.29Å; M201-L205 HydrophobicContact SD-CD1 4.38Å |
| 202 | D | 56.8 | Low | 62.2 | Low | 119 Ų | 119 | 76.3 Ų | 76.3 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | trans | -58.6 | 139.8 | -171.4 | -149 | -28.3 | 0 | 0 | 0 | 112.2 | G204 L205 R206 | D202-G204 PolarHBondContact O-N 3.21Å; D202-L205 PolarHBondContact O-N 2.84Å; D202-R206 PolarHBondContact O-N 2.74Å | ||
| 203 | S | 61.3 | Low | 62.7 | Low | 93 Ų | 93 | 74.5 Ų | 74.5 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -53.5 | -31.6 | -175 | 60 | 0 | 0 | 0 | 0 | 113.4 | L205 R206 S207 | S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 2.84Å; S203-R206 PolarHBondContact O-N 3.24Å; S203-S207 PolarHBondContact O-N 2.88Å |
| 204 | G | 58.6 | Low | 63.2 | Low | 36 Ų | 36 | 74.2 Ų | 74.2 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.2 | -18.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | D202 S207 K208 | D202-G204 PolarHBondContact O-N 3.21Å; G204-S207 PolarHBondContact O-OG 2.78Å; G204-S207 VanDerWaalsContact O-OG 3.13Å; G204-K208 WeakPolarHBondContact O-CG 3.09Å |
| 205 | L | 57.1 | Low | 64 | Low | 53 Ų | 53 | 77.3 Ų | 77.3 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -87.5 | -32.2 | 171.3 | -85 | 148.4 | 0 | 0 | 0 | 111.8 | I89 M201 D202 S203 S207 K208 F209 | I89-L205 HydrophobicContact CG2-CD2 4.14Å; M201-L205 HydrophobicContact CE-CB 3.33Å; M201-L205 HydrophobicContact CE-CD1 3.71Å; M201-L205 HydrophobicContact CE-CD2 4.01Å; M201-L205 HydrophobicContact CE-CG 3.84Å; M201-L205 HydrophobicContact CG-CD1 4.29Å; M201-L205 HydrophobicContact SD-CD1 4.38Å; D202-L205 PolarHBondContact O-N 2.84Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 2.84Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-S207 PolarHBondContact O-N 2.78Å; L205-K208 PolarHBondContact O-N 3.1Å; L205-K208 VanDerWaalsContact O-N 3.12Å; L205-F209 PolarHBondContact O-N 3.3Å |
| 206 | R | 57.9 | Low | 64.5 | Low | 100 Ų | 100 | 74.1 Ų | 74.1 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 172.4 | -96.3 | -177.2 | 172.4 | 179.6 | -0.6 | 111.9 | N195 Y198 D202 S203 K208 F209 | N195-R206 PolarHBondContact O-NH2 3.29Å; Y198-R206 HydrophobicContact CG-CG 4.46Å; D202-R206 PolarHBondContact O-N 2.74Å; S203-R206 PolarHBondContact O-N 3.24Å; R206-K208 PolarHBondContact O-N 3.06Å; R206-F209 WeakPolarHBondContact O-CB 3.49Å; R206-F209 PolarHBondContact O-N 2.81Å |
| 207 | S | 58.7 | Low | 65.1 | Low | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.3 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | S203 G204 L205 | S203-S207 PolarHBondContact O-N 2.88Å; G204-S207 PolarHBondContact O-OG 2.78Å; G204-S207 VanDerWaalsContact O-OG 3.13Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-S207 PolarHBondContact O-N 2.78Å |
| 208 | K | 56.6 | Low | 65.7 | Low | 119 Ų | 119 | 65.9 Ų | 65.9 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.9 | 176.5 | -68.6 | -178.1 | -178.1 | -178.6 | 0 | 113.5 | G204 L205 R206 K210 | G204-K208 WeakPolarHBondContact O-CG 3.09Å; L205-K208 PolarHBondContact O-N 3.1Å; L205-K208 VanDerWaalsContact O-N 3.12Å; R206-K208 PolarHBondContact O-N 3.06Å; K208-K210 PolarHBondContact O-N 2.72Å; K208-K210 VanDerWaalsContact O-N 3.12Å |
| 209 | F | 59.3 | Low | 66.2 | Low | 35 Ų | 35 | 66.4 Ų | 66.4 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -64.5 | 113.3 | 171.6 | -179.5 | -101 | 0 | 0 | 0 | 109.1 | V87 I89 F95 V194 L205 R206 I211 | V87-F209 HydrophobicContact CB-CE2 3.97Å; V87-F209 HydrophobicContact CG1-CE2 4.29Å; V87-F209 HydrophobicContact CG1-CZ 4.5Å; V87-F209 HydrophobicContact CG2-CE2 3.9Å; V87-F209 HydrophobicContact CG2-CZ 4.29Å; I89-F209 HydrophobicContact CD1-CD2 3.6Å; I89-F209 HydrophobicContact CD1-CE2 4.28Å; I89-F209 HydrophobicContact CG1-CD2 3.78Å; I89-F209 HydrophobicContact CG1-CE2 4.49Å; F95-F209 HydrophobicContact CD1-CE2 4.41Å; V194-F209 HydrophobicContact CB-CE1 4.47Å; V194-F209 HydrophobicContact CB-CZ 4.34Å; V194-F209 HydrophobicContact CG1-CD1 4.09Å; V194-F209 HydrophobicContact CG1-CD2 3.95Å; V194-F209 HydrophobicContact CG1-CE1 4.19Å; V194-F209 HydrophobicContact CG1-CE2 4.06Å; V194-F209 HydrophobicContact CG1-CG 3.97Å; V194-F209 HydrophobicContact CG1-CZ 4.19Å; V194-F209 HydrophobicContact CG2-CD2 4.35Å; V194-F209 HydrophobicContact CG2-CE1 3.81Å; V194-F209 HydrophobicContact CG2-CE2 3.62Å; V194-F209 HydrophobicContact CG2-CZ 3.31Å; L205-F209 PolarHBondContact O-N 3.3Å; R206-F209 WeakPolarHBondContact O-CB 3.49Å; R206-F209 PolarHBondContact O-N 2.81Å; F209-I211 HydrophobicContact CD1-CG1 4.46Å; F209-I211 HydrophobicContact CE1-CD1 4Å; F209-I211 HydrophobicContact CE1-CG1 3.44Å; F209-I211 VanDerWaalsContact CE1-CG1 3.44Å; F209-I211 HydrophobicContact CZ-CD1 4.2Å; F209-I211 HydrophobicContact CZ-CG1 3.54Å |
| 210 | K | 64.7 | Low | 67 | Low | 161 Ų | 161 | 58.3 Ų | 58.3 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | trans | -129.9 | 124 | 169.3 | -69.8 | -169.2 | 176 | -172.4 | 0 | 107.3 | K208 G212 | K208-K210 PolarHBondContact O-N 2.72Å; K208-K210 VanDerWaalsContact O-N 3.12Å; K210-G212 PolarHBondContact O-N 2.93Å | ||
| 211 | I | 68.1 | Low | 67.9 | Low | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | trans | -73 | 59.6 | 169.1 | -44.4 | 175.5 | 0 | 0 | 0 | 107.6 | L19 F21 V87 L190 F209 F286 A288 | L19-I211 HydrophobicContact CD2-CD1 3.94Å; L19-I211 HydrophobicContact CD2-CG2 4.34Å; F21-I211 HydrophobicContact CE1-CG2 4.07Å; F21-I211 HydrophobicContact CZ-CG2 4.34Å; V87-I211 HydrophobicContact CG1-CB 4.37Å; V87-I211 HydrophobicContact CG1-CG2 4.05Å; L190-I211 HydrophobicContact CB-CD1 4.3Å; L190-I211 HydrophobicContact CD1-CD1 4.25Å; F209-I211 HydrophobicContact CD1-CG1 4.46Å; F209-I211 HydrophobicContact CE1-CD1 4Å; F209-I211 HydrophobicContact CE1-CG1 3.44Å; F209-I211 VanDerWaalsContact CE1-CG1 3.44Å; F209-I211 HydrophobicContact CZ-CD1 4.2Å; F209-I211 HydrophobicContact CZ-CG1 3.54Å; I211-F286 HydrophobicContact CG2-CE2 4.22Å; I211-A288 HydrophobicContact CB-CB 4.33Å; I211-A288 HydrophobicContact CG2-CB 3.62Å; I211-A288 WeakPolarHBondContact O-CB 3.44Å | ||
| 212 | G | 73.1 | Confident | 68.8 | Low | 30 Ų | 30 | 53.9 Ų | 53.9 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -84.4 | -63.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K210 K287 A288 | K210-G212 PolarHBondContact O-N 2.93Å; G212-K287 CarbonylContact O-C 3.39Å; G212-K287 WeakPolarHBondContact O-CA 3.45Å; G212-K287 WeakPolarHBondContact O-CG 3.48Å; G212-A288 PolarHBondContact O-N 2.96Å |
| 213 | S | 80.2 | Confident | 69.8 | Low | 57 Ų | 57 | 51.4 Ų | 51.4 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 150.7 | 175.9 | -61.6 | 0 | 0 | 0 | 0 | 108.8 | P88 F286 | P88-S213 WeakPolarHBondContact CD-O 2.98Å; P88-S213 WeakPolarHBondContact CG-O 3.43Å; S213-F286 CarbonylContact C-O 3.43Å; S213-F286 WeakPolarHBondContact CA-O 3.23Å; S213-F286 WeakPolarHBondContact CB-O 3.19Å |
| 214 | G | 79.6 | Confident | 70.5 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -166 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q86 N285 F286 | Q86-G214 CarbonylContact O-C 3.49Å; Q86-G214 VanDerWaalsContact O-CA 3.25Å; Q86-G214 WeakPolarHBondContact O-CA 3.33Å; G214-N285 WeakPolarHBondContact O-CA 3.42Å; G214-F286 PolarHBondContact N-O 2.87Å; G214-F286 WeakPolarHBondContact O-CD1 3.44Å; G214-F286 PolarHBondContact O-N 2.78Å |
| 215 | K | 82.6 | Confident | 71.4 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131 | 176.2 | -65 | 178 | 170.3 | -151 | 0 | 109.9 | L85 Q86 E283 F284 N285 | L85-K215 CarbonylContact C-O 3.47Å; Q86-K215 HydrophobicContact CB-CB 4.11Å; Q86-K215 HydrophobicContact CG-CB 4.29Å; Q86-K215 PolarHBondContact N-O 2.89Å; Q86-K215 PolarHBondContact O-N 3.07Å; K215-E283 HydrophobicContact CB-CG 4.36Å; K215-E283 HydrophobicContact CD-CG 4.26Å; K215-E283 WeakPolarHBondContact CE-OE1 3.38Å; K215-E283 HydrophobicContact CG-CG 4.39Å; K215-E283 IonicContact NZ-OE1 3.6Å; K215-E283 PolarHBondContact NZ-OE1 3.35Å; K215-E283 IonicContact NZ-OE2 2.71Å; K215-E283 PolarHBondContact NZ-OE2 2.76Å; K215-F284 CarbonylContact C-O 3.52Å; K215-F284 WeakPolarHBondContact CA-O 3.33Å; K215-N285 WeakPolarHBondContact CE-OD1 3.18Å; K215-N285 WeakPolarHBondContact CG-OD1 3.42Å |
| 216 | F | 78.5 | Confident | 72.4 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115 | 171.7 | 179 | -100.6 | 0 | 0 | 0 | 107.1 | F61 V83 L85 W99 L184 V218 F284 F286 | F61-F216 AromaticContact CE1-CE1 3.89Å; F61-F216 HydrophobicContact CE1-CE1 3.89Å; F61-F216 AromaticContact CE1-CZ 3.62Å; F61-F216 HydrophobicContact CE1-CZ 3.62Å; F61-F216 HydrophobicContact CE2-CE1 4.07Å; F61-F216 HydrophobicContact CE2-CZ 4.46Å; F61-F216 AromaticContact CZ-CE1 3.28Å; F61-F216 HydrophobicContact CZ-CE1 3.28Å; F61-F216 AromaticContact CZ-CZ 3.32Å; F61-F216 HydrophobicContact CZ-CZ 3.32Å; V83-F216 HydrophobicContact CG1-CD2 4.06Å; V83-F216 HydrophobicContact CG1-CE1 4.38Å; V83-F216 HydrophobicContact CG1-CE2 3.16Å; V83-F216 HydrophobicContact CG1-CZ 3.34Å; V83-F216 HydrophobicContact CG2-CZ 4.48Å; L85-F216 HydrophobicContact CD1-CB 4.34Å; L85-F216 HydrophobicContact CD1-CD2 3.94Å; W99-F216 HydrophobicContact CZ2-CE2 4.11Å; L184-F216 HydrophobicContact CD1-CZ 4.48Å; L184-F216 HydrophobicContact CD2-CE2 4.17Å; L184-F216 HydrophobicContact CG-CE2 4.41Å; F216-V218 HydrophobicContact CD1-CG2 4.2Å; F216-V218 HydrophobicContact CE1-CG2 3.46Å; F216-V218 VanDerWaalsContact CE1-CG2 3.46Å; F216-V218 HydrophobicContact CZ-CG2 3.96Å; F216-F284 HydrophobicContact CB-CB 4.21Å; F216-F284 HydrophobicContact CD1-CB 4.39Å; F216-F284 AromaticContact CD1-CD2 3.67Å; F216-F284 HydrophobicContact CD1-CD2 3.67Å; F216-F284 HydrophobicContact CD1-CE2 4.4Å; F216-F284 HydrophobicContact CD1-CG 4.31Å; F216-F284 HydrophobicContact CE1-CD2 4.33Å; F216-F284 PolarHBondContact N-O 2.92Å; F216-F284 WeakPolarHBondContact O-CB 3.4Å; F216-F284 WeakPolarHBondContact O-CD2 3.09Å; F216-F284 PolarHBondContact O-N 2.79Å; F216-F286 HydrophobicContact CB-CD1 3.79Å; F216-F286 HydrophobicContact CB-CE1 4.12Å |
| 217 | Q | 80.4 | Confident | 73.3 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.6 | -177 | -69.4 | 174.9 | -24.3 | 0 | 0 | 109.3 | V83 N84 T281 V282 E283 | V83-Q217 CarbonylContact C-O 3.49Å; V83-Q217 WeakPolarHBondContact CA-O 3.29Å; N84-Q217 HydrophobicContact CB-CB 4.26Å; N84-Q217 PolarHBondContact N-O 3.48Å; N84-Q217 PolarHBondContact ND2-OE1 3.06Å; N84-Q217 PolarHBondContact O-N 3.36Å; Q217-T281 HydrophobicContact CB-CG2 4.24Å; Q217-T281 HydrophobicContact CG-CG2 4.31Å; Q217-V282 CarbonylContact C-O 3.56Å; Q217-V282 VanDerWaalsContact CA-O 3.31Å; Q217-V282 WeakPolarHBondContact CA-O 2.72Å; Q217-E283 HydrophobicContact CG-CB 4.04Å; Q217-E283 HydrophobicContact CG-CG 3.94Å; Q217-E283 PolarHBondContact NE2-OE2 2.82Å |
| 218 | V | 74.8 | Confident | 74 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.8 | 165.8 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | F61 I63 L81 V83 I101 F216 T281 V282 F284 | F61-V218 HydrophobicContact CE2-CG2 4.43Å; F61-V218 HydrophobicContact CZ-CG2 4.28Å; I63-V218 HydrophobicContact CD1-CB 3.58Å; I63-V218 HydrophobicContact CD1-CG1 3.27Å; I63-V218 HydrophobicContact CD1-CG2 3.68Å; L81-V218 HydrophobicContact CD1-CG1 4.36Å; V83-V218 HydrophobicContact CG2-CB 4.48Å; V83-V218 HydrophobicContact CG2-CG1 4.01Å; V83-V218 HydrophobicContact CG2-CG2 4.01Å; I101-V218 HydrophobicContact CD1-CG1 4.36Å; F216-V218 HydrophobicContact CD1-CG2 4.2Å; F216-V218 HydrophobicContact CE1-CG2 3.46Å; F216-V218 VanDerWaalsContact CE1-CG2 3.46Å; F216-V218 HydrophobicContact CZ-CG2 3.96Å; V218-T281 CarbonylContact O-C 3.59Å; V218-T281 WeakPolarHBondContact O-CA 3.32Å; V218-V282 PolarHBondContact N-O 3.28Å; V218-V282 PolarHBondContact O-N 3.27Å; V218-F284 HydrophobicContact CG2-CE2 4.37Å |
| 219 | Y | 76 | Confident | 74.6 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138 | -174 | 67.9 | -88.3 | 0 | 0 | 0 | 111.3 | E80 L81 G82 N84 Y280 | E80-Y219 HydrophobicContact CG-CE2 3.86Å; E80-Y219 WeakPolarHBondContact OE1-CE2 3.34Å; E80-Y219 PolarHBondContact OE1-OH 2.65Å; L81-Y219 CarbonylContact C-O 3.2Å; L81-Y219 VanDerWaalsContact CA-O 3.31Å; L81-Y219 WeakPolarHBondContact CA-O 3.38Å; G82-Y219 VanDerWaalsContact C-CE1 3.47Å; G82-Y219 PolarHBondContact N-O 3.3Å; G82-Y219 WeakPolarHBondContact O-CD1 3.45Å; G82-Y219 PolarHBondContact O-N 3.5Å; N84-Y219 HydrophobicContact CB-CE1 4.47Å; Y219-Y280 CarbonylContact C-O 3.6Å; Y219-Y280 WeakPolarHBondContact CA-O 3.44Å |
| 220 | L | 74.1 | Confident | 75.2 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125 | 170.2 | 174.1 | 64.5 | 0 | 0 | 0 | 107.2 | F65 E80 L81 A105 L178 L222 C279 Y280 | F65-L220 HydrophobicContact CZ-CB 4.45Å; E80-L220 CarbonylContact O-C 3.55Å; E80-L220 VanDerWaalsContact O-CA 3.29Å; E80-L220 WeakPolarHBondContact O-CA 2.98Å; L81-L220 HydrophobicContact CB-CD1 4.36Å; L81-L220 HydrophobicContact CD1-CB 4.06Å; L81-L220 HydrophobicContact CD1-CD1 4.31Å; A105-L220 HydrophobicContact CB-CD1 3.78Å; L178-L220 HydrophobicContact CD2-CD2 4.07Å; L220-L222 HydrophobicContact CD1-CD1 4.12Å; L220-L222 HydrophobicContact CD1-CG 4.17Å; L220-L222 HydrophobicContact CD2-CD1 3.88Å; L220-L222 HydrophobicContact CG-CD1 4.08Å; L220-L222 HydrophobicContact CG-CG 4.41Å; L220-C279 CarbonylContact O-C 3.56Å; L220-C279 WeakPolarHBondContact O-CA 3.36Å; L220-Y280 HydrophobicContact CD2-CD2 4.48Å; L220-Y280 PolarHBondContact N-O 2.88Å; L220-Y280 PolarHBondContact O-N 3.44Å |
| 221 | N | 73.7 | Confident | 75.8 | Confident | 42 Ų | 42 | 38 Ų | 38 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116.5 | 171.9 | -168.4 | -9.3 | 0 | 0 | 0 | 108.5 | G79 E80 | G79-N221 CarbonylContact C-O 3.5Å; G79-N221 WeakPolarHBondContact CA-O 3.49Å; E80-N221 HydrophobicContact CB-CB 4.45Å; E80-N221 PolarHBondContact N-O 2.04Å; E80-N221 PolarHBondContact O-N 2.86Å |
| 222 | L | 74 | Confident | 76.1 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.9 | -178.7 | -91.5 | 156.6 | 0 | 0 | 0 | 109.1 | L35 I77 L220 V277 A278 | L35-L222 HydrophobicContact CD1-CB 4.45Å; L35-L222 HydrophobicContact CD1-CD1 4.2Å; I77-L222 HydrophobicContact CG2-CD2 3.39Å; L220-L222 HydrophobicContact CD1-CD1 4.12Å; L220-L222 HydrophobicContact CD1-CG 4.17Å; L220-L222 HydrophobicContact CD2-CD1 3.88Å; L220-L222 HydrophobicContact CG-CD1 4.08Å; L220-L222 HydrophobicContact CG-CG 4.41Å; L222-V277 HydrophobicContact CB-CG2 4.14Å; L222-V277 WeakPolarHBondContact O-CG2 3.15Å; L222-V277 PolarHBondContact O-N 3.18Å; L222-A278 HydrophobicContact CB-CB 3.99Å; L222-A278 HydrophobicContact CD1-CB 4.33Å; L222-A278 PolarHBondContact N-O 3.34Å; L222-A278 PolarHBondContact O-N 3.47Å; L222-A278 VanDerWaalsContact O-O 3.14Å |
| 223 | K | 76.5 | Confident | 76.4 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.8 | 175.8 | -62.5 | -180 | 178.2 | 179.9 | 0 | 108.9 | I77 A78 L270 T274 Q275 | I77-K223 CarbonylContact C-O 3.6Å; I77-K223 WeakPolarHBondContact CA-O 3.4Å; A78-K223 PolarHBondContact N-O 3.34Å; A78-K223 PolarHBondContact O-N 3.37Å; A78-K223 VanDerWaalsContact O-O 3.13Å; K223-L270 HydrophobicContact CB-CD1 3.49Å; K223-L270 VanDerWaalsContact CB-CD1 3.49Å; K223-L270 HydrophobicContact CB-CD2 3.94Å; K223-L270 HydrophobicContact CB-CG 4.36Å; K223-L270 HydrophobicContact CD-CD1 3.35Å; K223-L270 HydrophobicContact CG-CD1 4.03Å; K223-T274 HydrophobicContact CB-CG2 4.04Å; K223-T274 HydrophobicContact CD-CG2 4.21Å; K223-Q275 VanDerWaalsContact CA-O 3.28Å; K223-Q275 WeakPolarHBondContact CA-O 3.06Å |
| 224 | S | 76.8 | Confident | 76.5 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.3 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 109 | Q75 Q275 | Q75-S224 PolarHBondContact N-OG 3.29Å; Q75-S224 VanDerWaalsContact N-OG 3.13Å; Q75-S224 PolarHBondContact O-OG 2.92Å; S224-Q275 PolarHBondContact N-O 3.29Å; S224-Q275 PolarHBondContact O-N 2.02Å |
| 225 | S | 77.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -134 | 133.4 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | Q75 N76 N227 L270 | Q75-S225 CarbonylContact C-O 3.57Å; Q75-S225 VanDerWaalsContact C-O 3.25Å; Q75-S225 PolarHBondContact O-N 2.77Å; N76-S225 WeakPolarHBondContact CB-O 3.27Å; N76-S225 PolarHBondContact ND2-O 3.38Å; S225-N227 PolarHBondContact O-N 2.79Å; S225-N227 PolarHBondContact OG-N 3.4Å; S225-N227 PolarHBondContact OG-O 3.47Å; S225-L270 WeakPolarHBondContact CB-O 3Å; S225-L270 PolarHBondContact OG-O 3.1Å | ||
| 226 | P | 77.9 | Confident | 76.6 | Confident | 86 Ų | 86 | 39.2 Ų | 39.2 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -67 | -19.7 | 171.9 | 30.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 227 | N | 77.1 | Confident | 76.9 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -98.1 | 134.1 | -179.7 | -60.3 | -47.9 | 0 | 0 | 0 | 109.9 | N76 S225 P272 | N76-N227 PolarHBondContact ND2-O 3.33Å; N76-N227 VanDerWaalsContact ND2-O 3.1Å; S225-N227 PolarHBondContact O-N 2.79Å; S225-N227 PolarHBondContact OG-N 3.4Å; S225-N227 PolarHBondContact OG-O 3.47Å; N227-P272 PolarHBondContact ND2-O 3.45Å |
| 228 | A | 71.3 | Confident | 77 | Confident | 62 Ų | 62 | 43.6 Ų | 43.6 | 51% | 0.512 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 145.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | N76 | N76-A228 PolarHBondContact ND2-N 2.86Å; N76-A228 WeakPolarHBondContact OD1-CA 3.24Å |
| 229 | P | 69.4 | Low | 77.3 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 140.5 | 172.2 | 25.8 | -34.1 | 0 | 0 | 0 | 109 | D135 E231 C269 | D135-P229 HydrophobicContact CB-CG 4.42Å; P229-E231 PolarHBondContact O-N 2.82Å; P229-C269 WeakPolarHBondContact CB-O 3.45Å |
| 230 | P | 71.9 | Confident | 77.5 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 29% | 0.286 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 142.7 | -177.1 | 19.7 | -27.3 | 0 | 0 | 0 | 110 | F235 Y265 | P230-F235 HydrophobicContact CB-CB 4.34Å; P230-F235 HydrophobicContact CG-CB 4.3Å; P230-F235 HydrophobicContact CG-CD2 4.1Å; P230-Y265 HydrophobicContact CG-CE2 4.12Å; P230-Y265 VanDerWaalsContact O-CE2 3.23Å; P230-Y265 WeakPolarHBondContact O-CE2 3.12Å; P230-Y265 PolarHBondContact O-OH 3.38Å |
| 231 | E | 77 | Confident | 77.7 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -56 | 131.7 | 178.4 | -163.2 | -77.4 | 153.7 | 0 | 0 | 108.9 | P229 N233 S234 F235 | P229-E231 PolarHBondContact O-N 2.82Å; E231-N233 VanDerWaalsContact C-N 3.27Å; E231-N233 PolarHBondContact O-N 3.41Å; E231-N233 VanDerWaalsContact O-N 3.15Å; E231-N233 PolarHBondContact OE1-ND2 3.12Å; E231-N233 WeakPolarHBondContact OE2-CA 3.27Å; E231-N233 WeakPolarHBondContact OE2-CB 3.41Å; E231-N233 PolarHBondContact OE2-N 3.21Å; E231-S234 CarbonylContact O-C 3.37Å; E231-S234 WeakPolarHBondContact O-CA 3.08Å; E231-S234 WeakPolarHBondContact O-CB 3.1Å; E231-S234 PolarHBondContact O-N 2.75Å; E231-S234 PolarHBondContact OE2-N 2.82Å; E231-F235 PolarHBondContact O-N 3.45Å |
| 232 | P | 74.7 | Confident | 78.2 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53.8 | -40.5 | -168.7 | -30 | 35 | 0 | 0 | 0 | 113.9 | F235 Y236 Y265 | P232-F235 PolarHBondContact O-N 3.1Å; P232-Y236 HydrophobicContact CB-CE2 3.94Å; P232-Y236 WeakPolarHBondContact O-CB 2.93Å; P232-Y236 WeakPolarHBondContact O-CD1 3.4Å; P232-Y236 WeakPolarHBondContact O-CD2 3.01Å; P232-Y236 PolarHBondContact O-N 3.34Å; P232-Y265 HydrophobicContact CG-CE1 4.22Å |
| 233 | N | 80.1 | Confident | 78.7 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.342 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 178.5 | -62.2 | -40.3 | 0 | 0 | 0 | 111.4 | E231 F235 Y236 S237 V246 | E231-N233 VanDerWaalsContact C-N 3.27Å; E231-N233 PolarHBondContact O-N 3.41Å; E231-N233 VanDerWaalsContact O-N 3.15Å; E231-N233 PolarHBondContact OE1-ND2 3.12Å; E231-N233 WeakPolarHBondContact OE2-CA 3.27Å; E231-N233 WeakPolarHBondContact OE2-CB 3.41Å; E231-N233 PolarHBondContact OE2-N 3.21Å; N233-F235 VanDerWaalsContact C-N 3.28Å; N233-F235 PolarHBondContact O-N 3.07Å; N233-Y236 PolarHBondContact O-N 3.5Å; N233-S237 PolarHBondContact O-N 3.27Å; N233-S237 PolarHBondContact O-OG 3.12Å; N233-V246 HydrophobicContact CB-CG1 3.83Å; N233-V246 HydrophobicContact CB-CG2 4.08Å; N233-V246 WeakPolarHBondContact O-CG2 3.34Å |
| 234 | S | 81.7 | Confident | 79 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58 | -42.9 | 172.2 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | E231 S237 G238 | E231-S234 CarbonylContact O-C 3.37Å; E231-S234 WeakPolarHBondContact O-CA 3.08Å; E231-S234 WeakPolarHBondContact O-CB 3.1Å; E231-S234 PolarHBondContact O-N 2.75Å; E231-S234 PolarHBondContact OE2-N 2.82Å; S234-S237 PolarHBondContact O-OG 3.2Å; S234-G238 PolarHBondContact O-N 3.26Å |
| 235 | F | 81.6 | Confident | 79 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 175.2 | 177.4 | -93.5 | 0 | 0 | 0 | 111.7 | P230 E231 P232 N233 S237 G238 I239 Y265 Q268 | P230-F235 HydrophobicContact CB-CB 4.34Å; P230-F235 HydrophobicContact CG-CB 4.3Å; P230-F235 HydrophobicContact CG-CD2 4.1Å; E231-F235 PolarHBondContact O-N 3.45Å; P232-F235 PolarHBondContact O-N 3.1Å; N233-F235 VanDerWaalsContact C-N 3.28Å; N233-F235 PolarHBondContact O-N 3.07Å; F235-S237 VanDerWaalsContact C-N 3.31Å; F235-S237 PolarHBondContact O-N 3.03Å; F235-G238 PolarHBondContact O-N 3.32Å; F235-G238 VanDerWaalsContact O-N 3.09Å; F235-I239 HydrophobicContact CD1-CG1 4.27Å; F235-I239 HydrophobicContact CE1-CD1 4.46Å; F235-I239 HydrophobicContact CE1-CG1 3.8Å; F235-I239 HydrophobicContact CE2-CD1 4.25Å; F235-I239 HydrophobicContact CE2-CG1 4.22Å; F235-I239 HydrophobicContact CZ-CD1 3.94Å; F235-I239 HydrophobicContact CZ-CG1 3.77Å; F235-I239 WeakPolarHBondContact O-CG1 3.27Å; F235-I239 PolarHBondContact O-N 3.25Å; F235-Y265 HydrophobicContact CB-CD2 3.93Å; F235-Y265 HydrophobicContact CB-CE2 4.25Å; F235-Y265 AromaticContact CD1-CD2 3.62Å; F235-Y265 HydrophobicContact CD1-CD2 3.62Å; F235-Y265 HydrophobicContact CD1-CG 4.1Å; F235-Y265 HydrophobicContact CD2-CD2 4.08Å; F235-Y265 VanDerWaalsContact CE1-CA 3.46Å; F235-Y265 HydrophobicContact CE1-CD2 4.13Å; F235-Y265 HydrophobicContact CE1-CG 4.38Å; F235-Y265 AromaticContact CG-CD2 3.59Å; F235-Y265 HydrophobicContact CG-CD2 3.59Å; F235-Y265 HydrophobicContact CG-CE2 4.32Å; F235-Q268 HydrophobicContact CE2-CB 3.73Å; F235-Q268 HydrophobicContact CE2-CG 3.91Å; F235-Q268 HydrophobicContact CZ-CB 3.93Å; F235-Q268 HydrophobicContact CZ-CG 3.9Å |
| 236 | Y | 84.1 | Confident | 79.1 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -36.3 | -179.9 | -60.3 | -27.8 | 0 | 0 | 0 | 112.9 | P232 N233 G238 I239 C242 Q243 C245 C261 K262 Y265 | P232-Y236 HydrophobicContact CB-CE2 3.94Å; P232-Y236 WeakPolarHBondContact O-CB 2.93Å; P232-Y236 WeakPolarHBondContact O-CD1 3.4Å; P232-Y236 WeakPolarHBondContact O-CD2 3.01Å; P232-Y236 PolarHBondContact O-N 3.34Å; N233-Y236 PolarHBondContact O-N 3.5Å; Y236-G238 PolarHBondContact O-N 2.88Å; Y236-I239 PolarHBondContact O-N 3.36Å; Y236-C242 HydrophobicContact CD1-CB 4.47Å; Y236-C242 CarbonylContact O-C 3.25Å; Y236-C242 VanDerWaalsContact O-CB 3.3Å; Y236-C242 WeakPolarHBondContact O-CB 3.27Å; Y236-Q243 PolarHBondContact O-N 2.77Å; Y236-C245 HydrophobicContact CD2-CB 4.09Å; Y236-C245 HydrophobicContact CG-CB 4.32Å; Y236-C261 HydrophobicContact CD1-CB 3.57Å; Y236-C261 VanDerWaalsContact CE1-C 3.47Å; Y236-C261 HydrophobicContact CE1-CB 3.67Å; Y236-C261 WeakPolarHBondContact CE1-O 3.4Å; Y236-C261 HydrophobicContact CG-CB 4.27Å; Y236-K262 WeakPolarHBondContact OH-CA 3.35Å; Y236-K262 VanDerWaalsContact OH-CG 3.24Å; Y236-K262 WeakPolarHBondContact OH-CG 3.44Å; Y236-Y265 HydrophobicContact CE1-CG 4.49Å |
| 237 | S | 84.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -29.1 | 175.3 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | N233 S234 F235 Q243 | N233-S237 PolarHBondContact O-N 3.27Å; N233-S237 PolarHBondContact O-OG 3.12Å; S234-S237 PolarHBondContact O-OG 3.2Å; F235-S237 VanDerWaalsContact C-N 3.31Å; F235-S237 PolarHBondContact O-N 3.03Å; S237-Q243 WeakPolarHBondContact O-CG 3.33Å |
| 238 | G | 82.6 | Confident | 77.9 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -83.1 | -16.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S234 F235 Y236 | S234-G238 PolarHBondContact O-N 3.26Å; F235-G238 PolarHBondContact O-N 3.32Å; F235-G238 VanDerWaalsContact O-N 3.09Å; Y236-G238 PolarHBondContact O-N 2.88Å |
| 239 | I | 80 | Confident | 77.1 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -99.4 | 124.8 | -176.1 | -62.2 | -73.6 | 0 | 0 | 0 | 110.3 | F235 Y236 G241 C242 Q243 | F235-I239 HydrophobicContact CD1-CG1 4.27Å; F235-I239 HydrophobicContact CE1-CD1 4.46Å; F235-I239 HydrophobicContact CE1-CG1 3.8Å; F235-I239 HydrophobicContact CE2-CD1 4.25Å; F235-I239 HydrophobicContact CE2-CG1 4.22Å; F235-I239 HydrophobicContact CZ-CD1 3.94Å; F235-I239 HydrophobicContact CZ-CG1 3.77Å; F235-I239 WeakPolarHBondContact O-CG1 3.27Å; F235-I239 PolarHBondContact O-N 3.25Å; Y236-I239 PolarHBondContact O-N 3.36Å; I239-G241 PolarHBondContact O-N 3.44Å; I239-C242 HydrophobicContact CB-CB 3.93Å; I239-C242 HydrophobicContact CG2-CB 4.04Å; I239-C242 PolarHBondContact O-N 3.16Å; I239-Q243 PolarHBondContact O-OE1 2.85Å |
| 240 | K | 80 | Confident | 76.5 | Confident | 199 Ų | 199 | 72 Ų | 72 | 87% | 0.865 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 121.4 | 175.9 | -166.4 | 177.4 | -177.1 | 178.6 | 0 | 110.4 | ||
| 241 | G | 79.6 | Confident | 76 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -5.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I239 | I239-G241 PolarHBondContact O-N 3.44Š|
| 242 | C | 83.2 | Confident | 75.4 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.014 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -10.6 | 172.6 | -68.2 | 0 | 0 | 0 | 0 | 113.3 | Y236 I239 C244 C245 C261 | Y236-C242 HydrophobicContact CD1-CB 4.47Å; Y236-C242 CarbonylContact O-C 3.25Å; Y236-C242 VanDerWaalsContact O-CB 3.3Å; Y236-C242 WeakPolarHBondContact O-CB 3.27Å; I239-C242 HydrophobicContact CB-CB 3.93Å; I239-C242 HydrophobicContact CG2-CB 4.04Å; I239-C242 PolarHBondContact O-N 3.16Å; C242-C244 PolarHBondContact O-N 3.09Å; C242-C244 VanDerWaalsContact O-N 3.15Å; C242-C245 WeakPolarHBondContact O-CB 3.4Å; C242-C245 PolarHBondContact O-N 3.33Å; C242-C261 WeakPolarHBondContact CA-SG 3.23Å; C242-C261 HydrophobicContact CB-CB 3.78Å; C242-C261 WeakPolarHBondContact CB-SG 3.25Å; C242-C261 WeakPolarHBondContact SG-CB 3.5Å; C242-C261 CovalentContact SG-SG 2.02Å; C242-C261 PolarHBondContact SG-SG 2.96Å |
| 243 | Q | 85.6 | Confident | 74.9 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -55.4 | -39.7 | -175.4 | -63.1 | 112.4 | -25.5 | 0 | 0 | 112.5 | Y236 S237 I239 C245 V246 | Y236-Q243 PolarHBondContact O-N 2.77Å; S237-Q243 WeakPolarHBondContact O-CG 3.33Å; I239-Q243 PolarHBondContact O-OE1 2.85Å; Q243-C245 PolarHBondContact O-N 3.47Å; Q243-V246 PolarHBondContact O-N 3.21Å; Q243-V246 VanDerWaalsContact O-N 3.15Å |
| 244 | C | 82.8 | Confident | 74.4 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -73.8 | -6.7 | -179 | 76.7 | 0 | 0 | 0 | 0 | 115 | C242 V246 G249 C254 | C242-C244 PolarHBondContact O-N 3.09Å; C242-C244 VanDerWaalsContact O-N 3.15Å; C244-V246 VanDerWaalsContact C-N 3.26Å; C244-G249 PolarHBondContact O-N 2.94Å; C244-G249 VanDerWaalsContact O-N 3.1Å; C244-C254 HydrophobicContact CB-CB 4.02Å; C244-C254 WeakPolarHBondContact CB-SG 3.03Å; C244-C254 VanDerWaalsContact SG-CA 3.55Å; C244-C254 WeakPolarHBondContact SG-CB 3.36Å; C244-C254 CovalentContact SG-SG 2.03Å; C244-C254 PolarHBondContact SG-SG 3.49Å |
| 245 | C | 77 | Confident | 73.7 | Confident | 17 Ų | 17 | 86.5 Ų | 86.5 | 12% | 0.115 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -67.7 | -27.7 | 169.2 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | Y236 C242 Q243 C257 K258 C261 | Y236-C245 HydrophobicContact CD2-CB 4.09Å; Y236-C245 HydrophobicContact CG-CB 4.32Å; C242-C245 WeakPolarHBondContact O-CB 3.4Å; C242-C245 PolarHBondContact O-N 3.33Å; Q243-C245 PolarHBondContact O-N 3.47Å; C245-C257 VanDerWaalsContact CA-SG 3.53Å; C245-C257 HydrophobicContact CB-CB 4.31Å; C245-C257 WeakPolarHBondContact CB-SG 3.46Å; C245-C257 PolarHBondContact N-SG 2.65Å; C245-C257 WeakPolarHBondContact SG-CB 3.16Å; C245-C257 PolarHBondContact SG-O 2.99Å; C245-C257 CovalentContact SG-SG 2.04Å; C245-C257 PolarHBondContact SG-SG 2.9Å; C245-K258 PolarHBondContact SG-N 3.32Å; C245-C261 PolarHBondContact SG-SG 3.4Å |
| 246 | V | 78.3 | Confident | 72.9 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -43.2 | -173.9 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | N233 Q243 C244 G248 | N233-V246 HydrophobicContact CB-CG1 3.83Å; N233-V246 HydrophobicContact CB-CG2 4.08Å; N233-V246 WeakPolarHBondContact O-CG2 3.34Å; Q243-V246 PolarHBondContact O-N 3.21Å; Q243-V246 VanDerWaalsContact O-N 3.15Å; C244-V246 VanDerWaalsContact C-N 3.26Å; V246-G248 PolarHBondContact O-N 2.91Å |
| 247 | E | 68.1 | Low | 72.5 | Confident | 174 Ų | 174 | 88 Ų | 88 | 81% | 0.813 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 12.8 | -172 | -63.1 | -178.4 | 164.8 | 0 | 0 | 113.7 | G249 | E247-G249 PolarHBondContact O-N 3.33Š|
| 248 | G | 62.8 | Low | 71.9 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 29.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | V246 R250 | V246-G248 PolarHBondContact O-N 2.91Å; G248-R250 PolarHBondContact O-N 2.96Å; G248-R250 VanDerWaalsContact O-N 3.15Å |
| 249 | G | 55 | Low | 71.4 | Confident | 28 Ų | 28 | 90.9 Ų | 90.9 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | trans | -48 | 114.6 | -165 | 0 | 0 | 0 | 0 | 0 | 113.3 | C244 E247 G251 C254 | C244-G249 PolarHBondContact O-N 2.94Å; C244-G249 VanDerWaalsContact O-N 3.1Å; E247-G249 PolarHBondContact O-N 3.33Å; G249-G251 PolarHBondContact O-N 3.09Å; G249-G251 VanDerWaalsContact O-N 3.12Å; G249-C254 VanDerWaalsContact O-CB 3.24Å; G249-C254 WeakPolarHBondContact O-CB 3.04Å | ||
| 250 | R | 55.3 | Low | 71.2 | Confident | 255 Ų | 255 | 96.2 Ų | 96.2 | 96% | 0.962 | 50% | 0.499 | S | S | * | . | trans | -79 | 15.9 | -176 | -61.1 | -173.7 | -175 | -169.5 | 2.2 | 114.2 | G248 | G248-R250 PolarHBondContact O-N 2.96Å; G248-R250 VanDerWaalsContact O-N 3.15Å | ||
| 251 | G | 62.4 | Low | 71.2 | Confident | 39 Ų | 39 | 86.9 Ų | 86.9 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -90.9 | 150.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G249 F253 C254 | G249-G251 PolarHBondContact O-N 3.09Å; G249-G251 VanDerWaalsContact O-N 3.12Å; G251-F253 PolarHBondContact O-N 3.31Å; G251-F253 VanDerWaalsContact O-N 3.12Å; G251-C254 WeakPolarHBondContact O-CB 3.27Å; G251-C254 PolarHBondContact O-N 2.98Å |
| 252 | L | 64.8 | Low | 70.9 | Confident | 149 Ų | 149 | 84.9 Ų | 84.9 | 78% | 0.78 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -52.7 | -36 | 178.5 | -154.8 | 87.3 | 0 | 0 | 0 | 112.5 | C254 R255 | L252-C254 PolarHBondContact O-N 2.83Å; L252-R255 PolarHBondContact O-N 3.41Å |
| 253 | F | 64.2 | Low | 70.2 | Confident | 199 Ų | 199 | 86 Ų | 86 | 87% | 0.873 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -71.1 | -13.6 | 178.4 | -62 | -77.4 | 0 | 0 | 0 | 114.5 | G251 | G251-F253 PolarHBondContact O-N 3.31Å; G251-F253 VanDerWaalsContact O-N 3.12Å |
| 254 | C | 68.9 | Low | 69.7 | Low | 25 Ų | 25 | 85.5 Ų | 85.5 | 17% | 0.169 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -100.7 | -6.5 | -177.9 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | C244 G249 G251 L252 G256 C257 | C244-C254 HydrophobicContact CB-CB 4.02Å; C244-C254 WeakPolarHBondContact CB-SG 3.03Å; C244-C254 VanDerWaalsContact SG-CA 3.55Å; C244-C254 WeakPolarHBondContact SG-CB 3.36Å; C244-C254 CovalentContact SG-SG 2.03Å; C244-C254 PolarHBondContact SG-SG 3.49Å; G249-C254 VanDerWaalsContact O-CB 3.24Å; G249-C254 WeakPolarHBondContact O-CB 3.04Å; G251-C254 WeakPolarHBondContact O-CB 3.27Å; G251-C254 PolarHBondContact O-N 2.98Å; L252-C254 PolarHBondContact O-N 2.83Å; C254-G256 PolarHBondContact O-N 3.49Å; C254-C257 HydrophobicContact CB-CB 4.49Å; C254-C257 WeakPolarHBondContact O-CB 3.22Å; C254-C257 PolarHBondContact O-N 2.75Å |
| 255 | R | 65.9 | Low | 69.3 | Low | 224 Ų | 224 | 84.7 Ų | 84.7 | 85% | 0.845 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 118.8 | 173.8 | -131.4 | -179.6 | -173.3 | -168.7 | 2 | 109.1 | L252 C257 | L252-R255 PolarHBondContact O-N 3.41Å; R255-C257 PolarHBondContact O-N 3.38Å |
| 256 | G | 66.3 | Low | 68.9 | Low | 54 Ų | 54 | 83.9 Ų | 83.9 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | C254 K258 E259 K260 | C254-G256 PolarHBondContact O-N 3.49Å; G256-K258 PolarHBondContact O-N 2.81Å; G256-E259 PolarHBondContact O-N 3.33Å; G256-K260 PolarHBondContact O-N 2.72Å |
| 257 | C | 76.2 | Confident | 68.2 | Low | 11 Ų | 11 | 86.5 Ų | 86.5 | 7% | 0.074 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -49.3 | -48 | 174.4 | 176 | 0 | 0 | 0 | 0 | 110.6 | C245 C254 R255 E259 K260 C261 | C245-C257 VanDerWaalsContact CA-SG 3.53Å; C245-C257 HydrophobicContact CB-CB 4.31Å; C245-C257 WeakPolarHBondContact CB-SG 3.46Å; C245-C257 PolarHBondContact N-SG 2.65Å; C245-C257 WeakPolarHBondContact SG-CB 3.16Å; C245-C257 PolarHBondContact SG-O 2.99Å; C245-C257 CovalentContact SG-SG 2.04Å; C245-C257 PolarHBondContact SG-SG 2.9Å; C254-C257 HydrophobicContact CB-CB 4.49Å; C254-C257 WeakPolarHBondContact O-CB 3.22Å; C254-C257 PolarHBondContact O-N 2.75Å; R255-C257 PolarHBondContact O-N 3.38Å; C257-E259 VanDerWaalsContact C-N 3.28Å; C257-E259 PolarHBondContact O-N 2.76Å; C257-K260 PolarHBondContact O-N 2.8Å; C257-K260 VanDerWaalsContact O-N 3.16Å; C257-C261 WeakPolarHBondContact O-CB 3.36Å; C257-C261 PolarHBondContact O-N 2.63Å; C257-C261 PolarHBondContact O-SG 3.2Å |
| 258 | K | 71.1 | Confident | 68.3 | Low | 110 Ų | 110 | 84.3 Ų | 84.3 | 48% | 0.478 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.3 | -42.6 | -173.7 | -142.9 | 176.8 | -174.9 | -178.9 | 0 | 111.6 | C245 G256 K262 | C245-K258 PolarHBondContact SG-N 3.32Å; G256-K258 PolarHBondContact O-N 2.81Å; K258-K262 VanDerWaalsContact O-CB 3.27Å; K258-K262 WeakPolarHBondContact O-CB 3.31Å; K258-K262 WeakPolarHBondContact O-CG 3.31Å; K258-K262 PolarHBondContact O-N 2.74Å |
| 259 | E | 71.4 | Confident | 68.3 | Low | 78 Ų | 78 | 81.8 Ų | 81.8 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 179.1 | -76.4 | -51.4 | 139.2 | 0 | 0 | 113.1 | F123 G256 C257 C261 K262 S263 | F123-E259 WeakPolarHBondContact CD2-OE2 3.37Å; F123-E259 WeakPolarHBondContact CE2-OE2 3.34Å; G256-E259 PolarHBondContact O-N 3.33Å; C257-E259 VanDerWaalsContact C-N 3.28Å; C257-E259 PolarHBondContact O-N 2.76Å; E259-C261 VanDerWaalsContact C-N 3.27Å; E259-C261 PolarHBondContact O-N 2.97Å; E259-K262 PolarHBondContact O-N 2.92Å; E259-K262 IonicContact OE1-NZ 2.76Å; E259-K262 PolarHBondContact OE1-NZ 2.75Å; E259-S263 PolarHBondContact O-N 2.95Å; E259-S263 VanDerWaalsContact O-N 3.09Å; E259-S263 PolarHBondContact O-OG 2.88Å |
| 260 | K | 76 | Confident | 68.6 | Low | 160 Ų | 160 | 81.2 Ų | 81.2 | 70% | 0.696 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 179.4 | -159.7 | 178.1 | -176.5 | -176.9 | 0 | 111.7 | G256 C257 Q264 | G256-K260 PolarHBondContact O-N 2.72Å; C257-K260 PolarHBondContact O-N 2.8Å; C257-K260 VanDerWaalsContact O-N 3.16Å; K260-Q264 PolarHBondContact O-N 2.71Å |
| 261 | C | 79.8 | Confident | 68.9 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -78 | -34.7 | -179.6 | -62 | 0 | 0 | 0 | 0 | 112.5 | Y236 C242 C245 C257 E259 S263 Q264 Y265 | Y236-C261 HydrophobicContact CD1-CB 3.57Å; Y236-C261 VanDerWaalsContact CE1-C 3.47Å; Y236-C261 HydrophobicContact CE1-CB 3.67Å; Y236-C261 WeakPolarHBondContact CE1-O 3.4Å; Y236-C261 HydrophobicContact CG-CB 4.27Å; C242-C261 WeakPolarHBondContact CA-SG 3.23Å; C242-C261 HydrophobicContact CB-CB 3.78Å; C242-C261 WeakPolarHBondContact CB-SG 3.25Å; C242-C261 WeakPolarHBondContact SG-CB 3.5Å; C242-C261 CovalentContact SG-SG 2.02Å; C242-C261 PolarHBondContact SG-SG 2.96Å; C245-C261 PolarHBondContact SG-SG 3.4Å; C257-C261 WeakPolarHBondContact O-CB 3.36Å; C257-C261 PolarHBondContact O-N 2.63Å; C257-C261 PolarHBondContact O-SG 3.2Å; E259-C261 VanDerWaalsContact C-N 3.27Å; E259-C261 PolarHBondContact O-N 2.97Å; C261-S263 VanDerWaalsContact C-N 3.32Å; C261-S263 PolarHBondContact O-N 3.43Å; C261-Q264 PolarHBondContact O-N 3.21Å; C261-Y265 WeakPolarHBondContact O-CB 3.32Å; C261-Y265 PolarHBondContact O-N 2.85Å |
| 262 | K | 74.3 | Confident | 68.9 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 6% | 0.057 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 169.1 | -80.2 | 174.4 | -165.2 | -175.7 | 0 | 111.7 | E119 G122 Y236 K258 E259 Q264 Y265 A266 | E119-K262 WeakPolarHBondContact O-CE 2.81Å; E119-K262 PolarHBondContact O-NZ 3.27Å; G122-K262 WeakPolarHBondContact CA-O 3.46Å; Y236-K262 WeakPolarHBondContact OH-CA 3.35Å; Y236-K262 VanDerWaalsContact OH-CG 3.24Å; Y236-K262 WeakPolarHBondContact OH-CG 3.44Å; K258-K262 VanDerWaalsContact O-CB 3.27Å; K258-K262 WeakPolarHBondContact O-CB 3.31Å; K258-K262 WeakPolarHBondContact O-CG 3.31Å; K258-K262 PolarHBondContact O-N 2.74Å; E259-K262 PolarHBondContact O-N 2.92Å; E259-K262 IonicContact OE1-NZ 2.76Å; E259-K262 PolarHBondContact OE1-NZ 2.75Å; K262-Q264 PolarHBondContact O-N 2.82Å; K262-Y265 WeakPolarHBondContact O-CB 3.4Å; K262-Y265 PolarHBondContact O-N 2.92Å; K262-A266 WeakPolarHBondContact O-CB 3.31Å; K262-A266 PolarHBondContact O-N 2.79Å |
| 263 | S | 68.4 | Low | 69.1 | Low | 26 Ų | 26 | 67.9 Ų | 67.9 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 174.8 | -73.1 | 0 | 0 | 0 | 0 | 112.3 | F123 E259 C261 Y265 A266 E267 | F123-S263 PolarHBondContact N-OG 3.17Å; F123-S263 WeakPolarHBondContact O-CB 3.01Å; F123-S263 PolarHBondContact O-OG 3.34Å; E259-S263 PolarHBondContact O-N 2.95Å; E259-S263 VanDerWaalsContact O-N 3.09Å; E259-S263 PolarHBondContact O-OG 2.88Å; C261-S263 VanDerWaalsContact C-N 3.32Å; C261-S263 PolarHBondContact O-N 3.43Å; S263-Y265 PolarHBondContact O-N 2.84Å; S263-A266 PolarHBondContact O-N 2.62Å; S263-E267 PolarHBondContact O-N 3.19Å |
| 264 | Q | 74.3 | Confident | 69.8 | Low | 78 Ų | 78 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 177.1 | -71.2 | -176.2 | -26.6 | 0 | 0 | 112.6 | K260 C261 K262 A266 E267 Q268 | K260-Q264 PolarHBondContact O-N 2.71Å; C261-Q264 PolarHBondContact O-N 3.21Å; K262-Q264 PolarHBondContact O-N 2.82Å; Q264-A266 VanDerWaalsContact C-N 3.34Å; Q264-E267 PolarHBondContact O-N 2.76Å; Q264-Q268 PolarHBondContact O-N 2.81Å; Q264-Q268 VanDerWaalsContact O-N 3.15Å |
| 265 | Y | 74.8 | Confident | 70.3 | Confident | 18 Ų | 18 | 65 Ų | 65 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 174.6 | 174.6 | -112.4 | 0 | 0 | 0 | 111.7 | C134 P230 P232 F235 Y236 C261 K262 S263 E267 Q268 C269 | C134-Y265 HydrophobicContact CB-CD1 4.34Å; C134-Y265 HydrophobicContact CB-CE1 3.6Å; C134-Y265 WeakPolarHBondContact SG-CE1 3.02Å; P230-Y265 HydrophobicContact CG-CE2 4.12Å; P230-Y265 VanDerWaalsContact O-CE2 3.23Å; P230-Y265 WeakPolarHBondContact O-CE2 3.12Å; P230-Y265 PolarHBondContact O-OH 3.38Å; P232-Y265 HydrophobicContact CG-CE1 4.22Å; F235-Y265 HydrophobicContact CB-CD2 3.93Å; F235-Y265 HydrophobicContact CB-CE2 4.25Å; F235-Y265 AromaticContact CD1-CD2 3.62Å; F235-Y265 HydrophobicContact CD1-CD2 3.62Å; F235-Y265 HydrophobicContact CD1-CG 4.1Å; F235-Y265 HydrophobicContact CD2-CD2 4.08Å; F235-Y265 VanDerWaalsContact CE1-CA 3.46Å; F235-Y265 HydrophobicContact CE1-CD2 4.13Å; F235-Y265 HydrophobicContact CE1-CG 4.38Å; F235-Y265 AromaticContact CG-CD2 3.59Å; F235-Y265 HydrophobicContact CG-CD2 3.59Å; F235-Y265 HydrophobicContact CG-CE2 4.32Å; Y236-Y265 HydrophobicContact CE1-CG 4.49Å; C261-Y265 WeakPolarHBondContact O-CB 3.32Å; C261-Y265 PolarHBondContact O-N 2.85Å; K262-Y265 WeakPolarHBondContact O-CB 3.4Å; K262-Y265 PolarHBondContact O-N 2.92Å; S263-Y265 PolarHBondContact O-N 2.84Å; Y265-E267 PolarHBondContact O-N 2.73Å; Y265-Q268 CarbonylContact O-C 3.59Å; Y265-Q268 PolarHBondContact O-N 3.17Å; Y265-C269 VanDerWaalsContact O-CA 3.27Å; Y265-C269 WeakPolarHBondContact O-CA 2.92Å; Y265-C269 PolarHBondContact O-N 3.15Å |
| 266 | A | 67.9 | Low | 71 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -25.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R132 K262 S263 Q264 C269 | R132-A266 HydrophobicContact CB-CB 4.05Å; R132-A266 VanDerWaalsContact CD-O 3.32Å; R132-A266 WeakPolarHBondContact CD-O 3.12Å; R132-A266 HydrophobicContact CG-CB 4.25Å; R132-A266 PolarHBondContact NE-O 2.83Å; K262-A266 WeakPolarHBondContact O-CB 3.31Å; K262-A266 PolarHBondContact O-N 2.79Å; S263-A266 PolarHBondContact O-N 2.62Å; Q264-A266 VanDerWaalsContact C-N 3.34Å; A266-C269 VanDerWaalsContact O-CB 3.3Å; A266-C269 WeakPolarHBondContact O-CB 3.21Å |
| 267 | E | 65.2 | Low | 71.6 | Confident | 113 Ų | 113 | 54.8 Ų | 54.8 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -75.2 | -41.8 | 172.6 | -70.3 | 176 | 178.7 | 0 | 0 | 112.4 | S263 Q264 Y265 C269 | S263-E267 PolarHBondContact O-N 3.19Å; Q264-E267 PolarHBondContact O-N 2.76Å; Y265-E267 PolarHBondContact O-N 2.73Å; E267-C269 PolarHBondContact O-N 2.03Å |
| 268 | Q | 68.4 | Low | 71.7 | Confident | 128 Ų | 128 | 54.3 Ų | 54.3 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -80.1 | -0.7 | 179.4 | -74 | -83.5 | -13 | 0 | 0 | 113.9 | F235 Q264 Y265 L270 G271 | F235-Q268 HydrophobicContact CE2-CB 3.73Å; F235-Q268 HydrophobicContact CE2-CG 3.91Å; F235-Q268 HydrophobicContact CZ-CB 3.93Å; F235-Q268 HydrophobicContact CZ-CG 3.9Å; Q264-Q268 PolarHBondContact O-N 2.81Å; Q264-Q268 VanDerWaalsContact O-N 3.15Å; Y265-Q268 CarbonylContact O-C 3.59Å; Y265-Q268 PolarHBondContact O-N 3.17Å; Q268-L270 VanDerWaalsContact C-N 3.3Å; Q268-L270 PolarHBondContact O-N 3.29Å; Q268-G271 PolarHBondContact O-N 3.19Å; Q268-G271 VanDerWaalsContact O-N 3.12Å |
| 269 | C | 62.8 | Low | 72.1 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -36.3 | -155.2 | -170.7 | 0 | 0 | 0 | 0 | 117.6 | C134 P229 Y265 A266 E267 G271 | C134-C269 VanDerWaalsContact C-SG 3.59Å; C134-C269 WeakPolarHBondContact CA-SG 3.2Å; C134-C269 HydrophobicContact CB-CB 4.18Å; C134-C269 WeakPolarHBondContact CB-SG 3.35Å; C134-C269 WeakPolarHBondContact SG-CA 3.29Å; C134-C269 WeakPolarHBondContact SG-CB 3.45Å; C134-C269 CovalentContact SG-SG 1.99Å; C134-C269 PolarHBondContact SG-SG 3.21Å; P229-C269 WeakPolarHBondContact CB-O 3.45Å; Y265-C269 VanDerWaalsContact O-CA 3.27Å; Y265-C269 WeakPolarHBondContact O-CA 2.92Å; Y265-C269 PolarHBondContact O-N 3.15Å; A266-C269 VanDerWaalsContact O-CB 3.3Å; A266-C269 WeakPolarHBondContact O-CB 3.21Å; E267-C269 PolarHBondContact O-N 2.03Å; C269-G271 PolarHBondContact O-N 2.92Å |
| 270 | L | 62 | Low | 72.5 | Confident | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -1.1 | -172.7 | -73.9 | 153 | 0 | 0 | 0 | 112.8 | A78 K223 S225 Q268 T274 | A78-L270 HydrophobicContact CB-CD1 4.21Å; A78-L270 HydrophobicContact CB-CD2 3.59Å; A78-L270 HydrophobicContact CB-CG 4.07Å; K223-L270 HydrophobicContact CB-CD1 3.49Å; K223-L270 VanDerWaalsContact CB-CD1 3.49Å; K223-L270 HydrophobicContact CB-CD2 3.94Å; K223-L270 HydrophobicContact CB-CG 4.36Å; K223-L270 HydrophobicContact CD-CD1 3.35Å; K223-L270 HydrophobicContact CG-CD1 4.03Å; S225-L270 WeakPolarHBondContact CB-O 3Å; S225-L270 PolarHBondContact OG-O 3.1Å; Q268-L270 VanDerWaalsContact C-N 3.3Å; Q268-L270 PolarHBondContact O-N 3.29Å; L270-T274 WeakPolarHBondContact CA-OG1 3.35Å; L270-T274 HydrophobicContact CB-CG2 3.36Å; L270-T274 WeakPolarHBondContact CB-OG1 3.39Å; L270-T274 HydrophobicContact CD1-CG2 3.7Å; L270-T274 HydrophobicContact CD2-CG2 4.29Å; L270-T274 HydrophobicContact CG-CG2 3.99Å; L270-T274 PolarHBondContact O-OG1 3.24Å |
| 271 | G | 62.4 | Low | 72.8 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | trans | 67.7 | 172.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q268 C269 T274 | Q268-G271 PolarHBondContact O-N 3.19Å; Q268-G271 VanDerWaalsContact O-N 3.12Å; C269-G271 PolarHBondContact O-N 2.92Å; G271-T274 PolarHBondContact O-N 3.32Å; G271-T274 PolarHBondContact O-OG1 3.25Å | ||
| 272 | P | 61.1 | Low | 72.7 | Confident | 104 Ų | 104 | 41.1 Ų | 41.1 | 68% | 0.675 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 138.9 | 174.3 | -18.9 | 31.1 | 0 | 0 | 0 | 111.1 | N227 | N227-P272 PolarHBondContact ND2-O 3.45Š|
| 273 | G | 70.5 | Confident | 73.3 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 7.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q275 | G273-Q275 PolarHBondContact O-N 2.04Š|
| 274 | T | 78.2 | Confident | 73.9 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | trans | -51.4 | 131.2 | 167.9 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K223 L270 G271 | K223-T274 HydrophobicContact CB-CG2 4.04Å; K223-T274 HydrophobicContact CD-CG2 4.21Å; L270-T274 WeakPolarHBondContact CA-OG1 3.35Å; L270-T274 HydrophobicContact CB-CG2 3.36Å; L270-T274 WeakPolarHBondContact CB-OG1 3.39Å; L270-T274 HydrophobicContact CD1-CG2 3.7Å; L270-T274 HydrophobicContact CD2-CG2 4.29Å; L270-T274 HydrophobicContact CG-CG2 3.99Å; L270-T274 PolarHBondContact O-OG1 3.24Å; G271-T274 PolarHBondContact O-N 3.32Å; G271-T274 PolarHBondContact O-OG1 3.25Å | ||
| 275 | Q | 80.3 | Confident | 74.5 | Confident | 113 Ų | 113 | 38.3 Ų | 38.3 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.6 | 170.7 | -65.2 | 179.6 | -7.7 | 0 | 0 | 110.2 | K223 S224 G273 V277 | K223-Q275 VanDerWaalsContact CA-O 3.28Å; K223-Q275 WeakPolarHBondContact CA-O 3.06Å; S224-Q275 PolarHBondContact N-O 3.29Å; S224-Q275 PolarHBondContact O-N 2.02Å; G273-Q275 PolarHBondContact O-N 2.04Å; Q275-V277 PolarHBondContact O-N 3.22Å |
| 276 | T | 79.9 | Confident | 75.1 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 118.5 | 162.9 | -57.7 | 0 | 0 | 0 | 0 | 107.4 | C279 | T276-C279 HydrophobicContact CG2-CB 4.22Å |
| 277 | V | 79.2 | Confident | 76 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -21.4 | -178 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | G33 G34 L35 L74 L222 Q275 | G33-V277 CarbonylContact C-O 3.4Å; G33-V277 WeakPolarHBondContact CA-O 3.43Å; G34-V277 PolarHBondContact N-O 2.95Å; G34-V277 VanDerWaalsContact N-O 3.1Å; L35-V277 WeakPolarHBondContact CB-O 3.1Å; L35-V277 HydrophobicContact CD1-CB 4.22Å; L35-V277 HydrophobicContact CD1-CG2 3.91Å; L35-V277 PolarHBondContact N-O 3.32Å; L35-V277 VanDerWaalsContact N-O 3.09Å; L74-V277 HydrophobicContact CD1-CB 4.37Å; L74-V277 HydrophobicContact CD1-CG2 4.04Å; L74-V277 HydrophobicContact CD2-CB 4.19Å; L74-V277 HydrophobicContact CD2-CG1 3.83Å; L74-V277 HydrophobicContact CD2-CG2 4.45Å; L222-V277 HydrophobicContact CB-CG2 4.14Å; L222-V277 WeakPolarHBondContact O-CG2 3.15Å; L222-V277 PolarHBondContact O-N 3.18Å; Q275-V277 PolarHBondContact O-N 3.22Å |
| 278 | A | 77.3 | Confident | 77 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 142.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L35 L222 Y280 | L35-A278 HydrophobicContact CB-CB 3.85Å; L35-A278 HydrophobicContact CD1-CB 3.38Å; L35-A278 HydrophobicContact CG-CB 4.23Å; L222-A278 HydrophobicContact CB-CB 3.99Å; L222-A278 HydrophobicContact CD1-CB 4.33Å; L222-A278 PolarHBondContact N-O 3.34Å; L222-A278 PolarHBondContact O-N 3.47Å; L222-A278 VanDerWaalsContact O-O 3.14Å; A278-Y280 HydrophobicContact CB-CD2 4.06Å; A278-Y280 HydrophobicContact CB-CE2 3.57Å |
| 279 | C | 80.3 | Confident | 77.9 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.7 | 154.1 | 71 | 0 | 0 | 0 | 0 | 108.6 | Q30 C31 L220 T276 | Q30-C279 VanDerWaalsContact CA-O 3.25Å; Q30-C279 WeakPolarHBondContact CA-O 3.48Å; C31-C279 HydrophobicContact CB-CB 4.48Å; C31-C279 WeakPolarHBondContact CB-SG 3.37Å; C31-C279 PolarHBondContact N-O 3.25Å; C31-C279 VanDerWaalsContact N-O 3.08Å; C31-C279 PolarHBondContact N-SG 3.46Å; C31-C279 VanDerWaalsContact SG-CA 3.56Å; C31-C279 WeakPolarHBondContact SG-CB 3.24Å; C31-C279 PolarHBondContact SG-N 3.47Å; C31-C279 CovalentContact SG-SG 2.01Å; C31-C279 PolarHBondContact SG-SG 3.26Å; L220-C279 CarbonylContact O-C 3.56Å; L220-C279 WeakPolarHBondContact O-CA 3.36Å; T276-C279 HydrophobicContact CG2-CB 4.22Å |
| 280 | Y | 79 | Confident | 79 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 129.4 | 177.8 | -66.9 | -83.2 | 0 | 0 | 0 | 107.5 | F29 Q30 I37 I42 Y219 L220 A278 | F29-Y280 CarbonylContact O-C 3.54Å; F29-Y280 WeakPolarHBondContact O-CA 3.47Å; Q30-Y280 HydrophobicContact CB-CD1 3.82Å; Q30-Y280 HydrophobicContact CB-CE1 3.62Å; I37-Y280 HydrophobicContact CB-CD1 4.49Å; I37-Y280 HydrophobicContact CB-CE1 3.59Å; I37-Y280 HydrophobicContact CB-CE2 4.28Å; I37-Y280 VanDerWaalsContact CB-CZ 3.48Å; I37-Y280 VanDerWaalsContact CB-OH 3.31Å; I37-Y280 WeakPolarHBondContact CB-OH 3.45Å; I37-Y280 HydrophobicContact CD1-CD1 4.44Å; I37-Y280 HydrophobicContact CD1-CD2 3.79Å; I37-Y280 HydrophobicContact CD1-CE1 4.03Å; I37-Y280 HydrophobicContact CD1-CE2 3.3Å; I37-Y280 HydrophobicContact CD1-CG 4.35Å; I37-Y280 VanDerWaalsContact CD1-CZ 3.45Å; I37-Y280 HydrophobicContact CG1-CE1 4.1Å; I37-Y280 HydrophobicContact CG1-CE2 3.84Å; I37-Y280 VanDerWaalsContact CG1-CZ 3.49Å; I37-Y280 VanDerWaalsContact CG1-OH 3.3Å; I37-Y280 WeakPolarHBondContact CG1-OH 3.39Å; I37-Y280 HydrophobicContact CG2-CE1 4.41Å; I37-Y280 PolarHBondContact N-OH 2.85Å; I42-Y280 HydrophobicContact CD1-CD1 3.9Å; I42-Y280 HydrophobicContact CD1-CE1 4.48Å; Y219-Y280 CarbonylContact C-O 3.6Å; Y219-Y280 WeakPolarHBondContact CA-O 3.44Å; L220-Y280 HydrophobicContact CD2-CD2 4.48Å; L220-Y280 PolarHBondContact N-O 2.88Å; L220-Y280 PolarHBondContact O-N 3.44Å; A278-Y280 HydrophobicContact CB-CD2 4.06Å; A278-Y280 HydrophobicContact CB-CE2 3.57Å |
| 281 | T | 83 | Confident | 80.1 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119.5 | 169.3 | -60.4 | 0 | 0 | 0 | 0 | 107.3 | F29 Q217 V218 | F29-T281 PolarHBondContact N-O 3.47Å; F29-T281 PolarHBondContact O-N 3.19Å; Q217-T281 HydrophobicContact CB-CG2 4.24Å; Q217-T281 HydrophobicContact CG-CG2 4.31Å; V218-T281 CarbonylContact O-C 3.59Å; V218-T281 WeakPolarHBondContact O-CA 3.32Å |
| 282 | V | 78.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111 | 168.8 | -164.3 | 0 | 0 | 0 | 0 | 107.1 | K27 V28 I42 Q217 V218 F284 | K27-V282 CarbonylContact O-C 3.57Å; K27-V282 WeakPolarHBondContact O-CA 3.3Å; V28-V282 HydrophobicContact CG2-CG1 4.35Å; V28-V282 HydrophobicContact CG2-CG2 4.48Å; I42-V282 HydrophobicContact CG2-CG2 3.9Å; Q217-V282 CarbonylContact C-O 3.56Å; Q217-V282 VanDerWaalsContact CA-O 3.31Å; Q217-V282 WeakPolarHBondContact CA-O 2.72Å; V218-V282 PolarHBondContact N-O 3.28Å; V218-V282 PolarHBondContact O-N 3.27Å; V282-F284 HydrophobicContact CB-CE2 3.76Å; V282-F284 HydrophobicContact CB-CZ 4Å; V282-F284 HydrophobicContact CG1-CD2 4.23Å; V282-F284 HydrophobicContact CG1-CE1 3.92Å; V282-F284 HydrophobicContact CG1-CE2 3.43Å; V282-F284 VanDerWaalsContact CG1-CE2 3.43Å; V282-F284 HydrophobicContact CG1-CZ 3.22Å |
| 283 | E | 85.7 | Confident | 82.6 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.4 | 176.8 | -179.8 | 175.8 | 108 | 0 | 0 | 109.4 | A26 K27 F29 K215 Q217 | A26-E283 CarbonylContact C-O 3.57Å; A26-E283 WeakPolarHBondContact CA-O 2.9Å; K27-E283 PolarHBondContact N-O 2.76Å; K27-E283 PolarHBondContact O-N 3.28Å; F29-E283 HydrophobicContact CD2-CB 4.46Å; F29-E283 HydrophobicContact CE2-CB 4.03Å; K215-E283 HydrophobicContact CB-CG 4.36Å; K215-E283 HydrophobicContact CD-CG 4.26Å; K215-E283 WeakPolarHBondContact CE-OE1 3.38Å; K215-E283 HydrophobicContact CG-CG 4.39Å; K215-E283 IonicContact NZ-OE1 3.6Å; K215-E283 PolarHBondContact NZ-OE1 3.35Å; K215-E283 IonicContact NZ-OE2 2.71Å; K215-E283 PolarHBondContact NZ-OE2 2.76Å; Q217-E283 HydrophobicContact CG-CB 4.04Å; Q217-E283 HydrophobicContact CG-CG 3.94Å; Q217-E283 PolarHBondContact NE2-OE2 2.82Å |
| 284 | F | 82.5 | Confident | 83.5 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.8 | 172.2 | -56.6 | -87.4 | 0 | 0 | 0 | 108.6 | I23 N25 A26 V44 K215 F216 V218 V282 | I23-F284 HydrophobicContact CD1-CD1 4.13Å; I23-F284 HydrophobicContact CG2-CB 4.32Å; I23-F284 HydrophobicContact CG2-CD1 3.76Å; N25-F284 WeakPolarHBondContact O-CA 3.21Å; A26-F284 HydrophobicContact CB-CD1 3.65Å; A26-F284 HydrophobicContact CB-CE1 3.68Å; V44-F284 HydrophobicContact CB-CE1 4.28Å; V44-F284 HydrophobicContact CB-CZ 4Å; V44-F284 HydrophobicContact CG1-CZ 4.25Å; V44-F284 HydrophobicContact CG2-CE1 4.16Å; V44-F284 HydrophobicContact CG2-CE2 4.31Å; V44-F284 HydrophobicContact CG2-CZ 3.43Å; V44-F284 VanDerWaalsContact CG2-CZ 3.43Å; K215-F284 CarbonylContact C-O 3.52Å; K215-F284 WeakPolarHBondContact CA-O 3.33Å; F216-F284 HydrophobicContact CB-CB 4.21Å; F216-F284 HydrophobicContact CD1-CB 4.39Å; F216-F284 AromaticContact CD1-CD2 3.67Å; F216-F284 HydrophobicContact CD1-CD2 3.67Å; F216-F284 HydrophobicContact CD1-CE2 4.4Å; F216-F284 HydrophobicContact CD1-CG 4.31Å; F216-F284 HydrophobicContact CE1-CD2 4.33Å; F216-F284 PolarHBondContact N-O 2.92Å; F216-F284 WeakPolarHBondContact O-CB 3.4Å; F216-F284 WeakPolarHBondContact O-CD2 3.09Å; F216-F284 PolarHBondContact O-N 2.79Å; V218-F284 HydrophobicContact CG2-CE2 4.37Å; V282-F284 HydrophobicContact CB-CE2 3.76Å; V282-F284 HydrophobicContact CB-CZ 4Å; V282-F284 HydrophobicContact CG1-CD2 4.23Å; V282-F284 HydrophobicContact CG1-CE1 3.92Å; V282-F284 HydrophobicContact CG1-CE2 3.43Å; V282-F284 VanDerWaalsContact CG1-CE2 3.43Å; V282-F284 HydrophobicContact CG1-CZ 3.22Å |
| 285 | N | 87 | Confident | 84 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.4 | 163.5 | -60.6 | -82.9 | 0 | 0 | 0 | 107.4 | E24 N25 G214 K215 | E24-N285 PolarHBondContact N-O 2.76Å; N25-N285 PolarHBondContact O-N 3.43Å; N25-N285 VanDerWaalsContact OD1-CB 3.23Å; N25-N285 WeakPolarHBondContact OD1-CB 2.84Å; N25-N285 PolarHBondContact OD1-ND2 3.19Å; G214-N285 WeakPolarHBondContact O-CA 3.42Å; K215-N285 WeakPolarHBondContact CE-OD1 3.18Å; K215-N285 WeakPolarHBondContact CG-OD1 3.42Å |
| 286 | F | 86 | Confident | 84.5 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 154.7 | -177 | 72.9 | -96.4 | 0 | 0 | 0 | 111.9 | F21 I22 L85 I211 S213 G214 F216 A288 | F21-F286 HydrophobicContact CB-CB 4.5Å; F21-F286 HydrophobicContact CD1-CD1 4.24Å; F21-F286 AromaticContact CD1-CD2 3.43Å; F21-F286 HydrophobicContact CD1-CD2 3.43Å; F21-F286 VanDerWaalsContact CD1-CD2 3.43Å; F21-F286 HydrophobicContact CD1-CE1 4.31Å; F21-F286 AromaticContact CD1-CE2 3.53Å; F21-F286 HydrophobicContact CD1-CE2 3.53Å; F21-F286 AromaticContact CD1-CG 3.82Å; F21-F286 HydrophobicContact CD1-CG 3.82Å; F21-F286 AromaticContact CD1-CZ 3.99Å; F21-F286 HydrophobicContact CD1-CZ 3.99Å; F21-F286 HydrophobicContact CE1-CD2 4.05Å; F21-F286 HydrophobicContact CE1-CE1 4.45Å; F21-F286 AromaticContact CE1-CE2 3.63Å; F21-F286 HydrophobicContact CE1-CE2 3.63Å; F21-F286 AromaticContact CE1-CZ 3.87Å; F21-F286 HydrophobicContact CE1-CZ 3.87Å; F21-F286 HydrophobicContact CG-CD2 4.45Å; I22-F286 CarbonylContact O-C 3.48Å; I22-F286 WeakPolarHBondContact O-CA 3.29Å; I22-F286 VanDerWaalsContact O-CB 3.31Å; I22-F286 WeakPolarHBondContact O-CB 3.19Å; L85-F286 HydrophobicContact CD1-CD1 4.36Å; L85-F286 HydrophobicContact CD1-CE1 3.34Å; L85-F286 HydrophobicContact CD1-CZ 3.52Å; L85-F286 HydrophobicContact CG-CZ 4.47Å; I211-F286 HydrophobicContact CG2-CE2 4.22Å; S213-F286 CarbonylContact C-O 3.43Å; S213-F286 WeakPolarHBondContact CA-O 3.23Å; S213-F286 WeakPolarHBondContact CB-O 3.19Å; G214-F286 PolarHBondContact N-O 2.87Å; G214-F286 WeakPolarHBondContact O-CD1 3.44Å; G214-F286 PolarHBondContact O-N 2.78Å; F216-F286 HydrophobicContact CB-CD1 3.79Å; F216-F286 HydrophobicContact CB-CE1 4.12Å; F286-A288 HydrophobicContact CD2-CB 3.99Å; F286-A288 HydrophobicContact CE2-CB 3.84Å |
| 287 | K | 87.9 | Confident | 85 | Confident | 92 Ų | 92 | 38 Ų | 38 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.4 | 159.1 | -174.6 | -176.1 | 176.7 | -171.3 | 0 | 108.5 | I22 G212 | I22-K287 WeakPolarHBondContact CB-O 3.44Å; I22-K287 PolarHBondContact N-O 2.8Å; I22-K287 PolarHBondContact O-N 3.12Å; G212-K287 CarbonylContact O-C 3.39Å; G212-K287 WeakPolarHBondContact O-CA 3.45Å; G212-K287 WeakPolarHBondContact O-CG 3.48Å |
| 288 | A | 85.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L19 Y20 F21 I211 G212 F286 | L19-A288 HydrophobicContact CD1-CB 4.15Å; Y20-A288 CarbonylContact O-C 3.59Å; Y20-A288 WeakPolarHBondContact O-CA 3.33Å; F21-A288 HydrophobicContact CD1-CB 4.16Å; F21-A288 HydrophobicContact CE1-CB 4.19Å; I211-A288 HydrophobicContact CB-CB 4.33Å; I211-A288 HydrophobicContact CG2-CB 3.62Å; I211-A288 WeakPolarHBondContact O-CB 3.44Å; G212-A288 PolarHBondContact O-N 2.96Å; F286-A288 HydrophobicContact CD2-CB 3.99Å; F286-A288 HydrophobicContact CE2-CB 3.84Å |
| 289 | T | 86.2 | Confident | 86.1 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 147.2 | -179 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | Y20 I22 N291 D294 V295 | Y20-T289 PolarHBondContact N-O 3.35Å; Y20-T289 PolarHBondContact O-N 2.77Å; I22-T289 HydrophobicContact CD1-CG2 3.88Å; I22-T289 HydrophobicContact CG1-CG2 4.32Å; T289-N291 VanDerWaalsContact C-N 3.35Å; T289-N291 PolarHBondContact OG1-N 2.77Å; T289-D294 HydrophobicContact CG2-CB 3.88Å; T289-D294 PolarHBondContact OG1-OD2 2.85Å; T289-V295 HydrophobicContact CG2-CG2 4.16Å |
| 290 | E | 85.7 | Confident | 86.7 | Confident | 121 Ų | 121 | 46.3 Ų | 46.3 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -91.6 | -8.4 | 173 | -59 | 175.5 | -149.9 | 0 | 0 | 110.9 | L19 K187 | L19-E290 HydrophobicContact CD1-CG 4.05Å; K187-E290 HydrophobicContact CD-CG 4.47Å; K187-E290 VanDerWaalsContact CE-OE1 3.29Å; K187-E290 WeakPolarHBondContact CE-OE1 2.99Å; K187-E290 IonicContact NZ-OE1 2.68Å; K187-E290 PolarHBondContact NZ-OE1 2.73Å; K187-E290 IonicContact NZ-OE2 2.92Å; K187-E290 PolarHBondContact NZ-OE2 3.47Å |
| 291 | N | 86.2 | Confident | 87.3 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 49% | 0.492 | 25% | 0.249 | S | C | . | . | trans | -101.9 | 111.3 | -176.6 | -173.2 | -6.2 | 0 | 0 | 0 | 110.8 | T289 G293 D294 | T289-N291 VanDerWaalsContact C-N 3.35Å; T289-N291 PolarHBondContact OG1-N 2.77Å; N291-G293 PolarHBondContact O-N 2.81Å; N291-G293 VanDerWaalsContact O-N 3.17Å; N291-G293 WeakPolarHBondContact OD1-CA 3.35Å; N291-G293 PolarHBondContact OD1-N 3.47Å; N291-D294 WeakPolarHBondContact O-CB 3.21Å; N291-D294 PolarHBondContact O-N 2.82Å | ||
| 292 | Y | 87 | Confident | 87.6 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -27 | 174.6 | -170.2 | -110.7 | 0 | 0 | 0 | 113 | Y20 Y54 D294 V295 Q296 D306 P309 | Y20-Y292 HydrophobicContact CD1-CD2 4.15Å; Y20-Y292 AromaticContact CE1-CD2 3.58Å; Y20-Y292 HydrophobicContact CE1-CD2 3.58Å; Y20-Y292 HydrophobicContact CE1-CE2 4.17Å; Y20-Y292 HydrophobicContact CE2-CD2 4.12Å; Y20-Y292 HydrophobicContact CE2-CG 4.49Å; Y20-Y292 AromaticContact CZ-CD2 3.55Å; Y54-Y292 HydrophobicContact CE2-CE2 4.09Å; Y54-Y292 AromaticContact CZ-CE2 3.96Å; Y54-Y292 WeakPolarHBondContact OH-CE2 3.49Å; Y54-Y292 PolarHBondContact OH-OH 2.9Å; Y54-Y292 VanDerWaalsContact OH-OH 3.12Å; Y292-D294 PolarHBondContact O-N 2.93Å; Y292-V295 HydrophobicContact CD2-CB 4.03Å; Y292-V295 HydrophobicContact CD2-CG1 4.4Å; Y292-V295 HydrophobicContact CD2-CG2 4.19Å; Y292-V295 HydrophobicContact CE2-CB 4.17Å; Y292-V295 HydrophobicContact CE2-CG1 4.07Å; Y292-V295 WeakPolarHBondContact O-CA 3.3Å; Y292-V295 VanDerWaalsContact O-CB 3.29Å; Y292-V295 WeakPolarHBondContact O-CB 3.48Å; Y292-V295 PolarHBondContact O-N 3.09Å; Y292-Q296 HydrophobicContact CD1-CG 3.68Å; Y292-Q296 HydrophobicContact CE1-CG 3.4Å; Y292-Q296 PolarHBondContact O-N 2.81Å; Y292-D306 VanDerWaalsContact OH-CG 3.29Å; Y292-D306 PolarHBondContact OH-OD1 2.82Å; Y292-D306 PolarHBondContact OH-OD2 2.81Å; Y292-P309 HydrophobicContact CE2-CG 4.06Å |
| 293 | G | 89.2 | Confident | 88 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -32 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N291 Q296 K297 | N291-G293 PolarHBondContact O-N 2.81Å; N291-G293 VanDerWaalsContact O-N 3.17Å; N291-G293 WeakPolarHBondContact OD1-CA 3.35Å; N291-G293 PolarHBondContact OD1-N 3.47Å; G293-Q296 PolarHBondContact O-N 3.11Å; G293-K297 WeakPolarHBondContact O-CB 3.36Å; G293-K297 PolarHBondContact O-N 3.23Å |
| 294 | D | 90 | Very high | 87.8 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | 173.9 | -69.1 | -24.1 | 0 | 0 | 0 | 111.5 | I22 T289 N291 Y292 K297 F298 | I22-D294 HydrophobicContact CD1-CB 4.37Å; T289-D294 HydrophobicContact CG2-CB 3.88Å; T289-D294 PolarHBondContact OG1-OD2 2.85Å; N291-D294 WeakPolarHBondContact O-CB 3.21Å; N291-D294 PolarHBondContact O-N 2.82Å; Y292-D294 PolarHBondContact O-N 2.93Å; D294-K297 PolarHBondContact O-N 3.28Å; D294-F298 WeakPolarHBondContact O-CB 3.38Å; D294-F298 PolarHBondContact O-N 2.77Å |
| 295 | V | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 174 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | Y20 I22 Y54 T289 Y292 K297 F298 L299 | Y20-V295 HydrophobicContact CD1-CG2 4.18Å; Y20-V295 HydrophobicContact CD2-CG2 4.27Å; Y20-V295 HydrophobicContact CG-CG2 3.77Å; I22-V295 HydrophobicContact CD1-CG2 4.14Å; I22-V295 HydrophobicContact CG1-CG2 3.96Å; Y54-V295 HydrophobicContact CD1-CG1 3.41Å; Y54-V295 VanDerWaalsContact CD1-CG1 3.41Å; Y54-V295 HydrophobicContact CD2-CG1 3.84Å; Y54-V295 HydrophobicContact CE1-CG1 3.6Å; Y54-V295 HydrophobicContact CE2-CG1 4.02Å; Y54-V295 HydrophobicContact CG-CG1 3.51Å; T289-V295 HydrophobicContact CG2-CG2 4.16Å; Y292-V295 HydrophobicContact CD2-CB 4.03Å; Y292-V295 HydrophobicContact CD2-CG1 4.4Å; Y292-V295 HydrophobicContact CD2-CG2 4.19Å; Y292-V295 HydrophobicContact CE2-CB 4.17Å; Y292-V295 HydrophobicContact CE2-CG1 4.07Å; Y292-V295 WeakPolarHBondContact O-CA 3.3Å; Y292-V295 VanDerWaalsContact O-CB 3.29Å; Y292-V295 WeakPolarHBondContact O-CB 3.48Å; Y292-V295 PolarHBondContact O-N 3.09Å; V295-K297 VanDerWaalsContact C-N 3.27Å; V295-K297 PolarHBondContact O-N 3.2Å; V295-F298 WeakPolarHBondContact O-CB 3.5Å; V295-F298 PolarHBondContact O-N 3.15Å; V295-F298 VanDerWaalsContact O-N 3.15Å; V295-L299 HydrophobicContact CG1-CD1 4Å; V295-L299 HydrophobicContact CG1-CG 4.36Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.22Å; V295-L299 PolarHBondContact O-N 3.26Å |
| 296 | Q | 89.3 | Confident | 86.7 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 178 | -67.8 | -175.2 | -50.3 | 0 | 0 | 111.7 | Y292 G293 R300 | Y292-Q296 HydrophobicContact CD1-CG 3.68Å; Y292-Q296 HydrophobicContact CE1-CG 3.4Å; Y292-Q296 PolarHBondContact O-N 2.81Å; G293-Q296 PolarHBondContact O-N 3.11Å; Q296-R300 WeakPolarHBondContact O-CB 3.34Å; Q296-R300 PolarHBondContact O-N 3.39Å |
| 297 | K | 91.5 | Very high | 85.6 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 53% | 0.53 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 174.2 | -176.5 | 179.5 | 176.7 | -175.3 | 0 | 111 | G293 D294 V295 L299 R300 D301 | G293-K297 WeakPolarHBondContact O-CB 3.36Å; G293-K297 PolarHBondContact O-N 3.23Å; D294-K297 PolarHBondContact O-N 3.28Å; V295-K297 VanDerWaalsContact C-N 3.27Å; V295-K297 PolarHBondContact O-N 3.2Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 3.33Å; K297-R300 PolarHBondContact O-N 2.9Å; K297-D301 WeakPolarHBondContact CE-OD2 3.48Å; K297-D301 WeakPolarHBondContact CG-OD2 3.09Å; K297-D301 WeakPolarHBondContact O-CB 3.4Å; K297-D301 PolarHBondContact O-N 3.36Å |
| 298 | F | 90.6 | Very high | 84.4 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 177.9 | 168.8 | -98.6 | 0 | 0 | 0 | 112.6 | I22 I23 R53 D294 V295 D301 N302 F304 | I22-F298 HydrophobicContact CD1-CB 4.25Å; I22-F298 HydrophobicContact CG2-CB 4.1Å; I22-F298 HydrophobicContact CG2-CD1 3.45Å; I22-F298 VanDerWaalsContact CG2-CD1 3.45Å; I22-F298 HydrophobicContact CG2-CD2 3.63Å; I22-F298 HydrophobicContact CG2-CE1 3.65Å; I22-F298 HydrophobicContact CG2-CE2 3.82Å; I22-F298 HydrophobicContact CG2-CG 3.43Å; I22-F298 VanDerWaalsContact CG2-CG 3.43Å; I22-F298 HydrophobicContact CG2-CZ 3.82Å; I23-F298 WeakPolarHBondContact O-CZ 3.37Å; R53-F298 HydrophobicContact CB-CE1 4.32Å; D294-F298 WeakPolarHBondContact O-CB 3.38Å; D294-F298 PolarHBondContact O-N 2.77Å; V295-F298 WeakPolarHBondContact O-CB 3.5Å; V295-F298 PolarHBondContact O-N 3.15Å; V295-F298 VanDerWaalsContact O-N 3.15Å; F298-D301 PolarHBondContact O-N 3.15Å; F298-N302 WeakPolarHBondContact CD2-ND2 3.18Å; F298-N302 WeakPolarHBondContact CE2-ND2 3.37Å; F298-N302 PolarHBondContact O-N 3.25Å; F298-N302 PolarHBondContact O-ND2 2.96Å; F298-F304 HydrophobicContact CE1-CD2 4.07Å; F298-F304 HydrophobicContact CE1-CE2 4.09Å; F298-F304 HydrophobicContact CZ-CD2 4.47Å; F298-F304 HydrophobicContact CZ-CE2 4.04Å |
| 299 | L | 89.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 178.5 | -66.5 | 170 | 0 | 0 | 0 | 111.1 | R53 Y54 V295 K297 N302 N303 F304 D306 | R53-L299 HydrophobicContact CB-CD2 3.78Å; R53-L299 HydrophobicContact CG-CD2 4.26Å; Y54-L299 HydrophobicContact CD1-CD1 4.4Å; Y54-L299 HydrophobicContact CD1-CD2 4.42Å; Y54-L299 HydrophobicContact CE1-CD1 3.97Å; V295-L299 HydrophobicContact CG1-CD1 4Å; V295-L299 HydrophobicContact CG1-CG 4.36Å; V295-L299 VanDerWaalsContact O-CG 3.29Å; V295-L299 WeakPolarHBondContact O-CG 3.22Å; V295-L299 PolarHBondContact O-N 3.26Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 3.33Å; L299-N302 CarbonylContact O-C 3.53Å; L299-N302 PolarHBondContact O-N 3.36Å; L299-N303 PolarHBondContact O-N 3.42Å; L299-F304 HydrophobicContact CB-CB 4.37Å; L299-F304 HydrophobicContact CD2-CB 3.72Å; L299-F304 HydrophobicContact CD2-CD2 4.29Å; L299-F304 HydrophobicContact CD2-CG 4.47Å; L299-F304 PolarHBondContact O-N 3.4Å; L299-D306 HydrophobicContact CD1-CB 3.84Å; L299-D306 WeakPolarHBondContact CD1-OD1 3.23Å |
| 300 | R | 91.3 | Very high | 81.1 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 64% | 0.642 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 179.2 | -151.5 | -168 | -35 | -96 | -3.3 | 111.9 | Q296 K297 N302 N303 | Q296-R300 WeakPolarHBondContact O-CB 3.34Å; Q296-R300 PolarHBondContact O-N 3.39Å; K297-R300 PolarHBondContact O-N 2.9Å; R300-N302 PolarHBondContact O-N 2.89Å; R300-N303 PolarHBondContact O-N 3.25Å; R300-N303 VanDerWaalsContact O-N 3.16Å |
| 301 | D | 92.5 | Very high | 78.9 | Confident | 103 Ų | 103 | 71 Ų | 71 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.3 | -24.6 | -178.8 | -68.8 | -5.4 | 0 | 0 | 0 | 112 | K297 F298 | K297-D301 WeakPolarHBondContact CE-OD2 3.48Å; K297-D301 WeakPolarHBondContact CG-OD2 3.09Å; K297-D301 WeakPolarHBondContact O-CB 3.4Å; K297-D301 PolarHBondContact O-N 3.36Å; F298-D301 PolarHBondContact O-N 3.15Å |
| 302 | N | 88.1 | Confident | 76.7 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 8.6 | 179.2 | -67.6 | -88 | 0 | 0 | 0 | 114 | F298 L299 R300 F304 | F298-N302 WeakPolarHBondContact CD2-ND2 3.18Å; F298-N302 WeakPolarHBondContact CE2-ND2 3.37Å; F298-N302 PolarHBondContact O-N 3.25Å; F298-N302 PolarHBondContact O-ND2 2.96Å; L299-N302 CarbonylContact O-C 3.53Å; L299-N302 PolarHBondContact O-N 3.36Å; R300-N302 PolarHBondContact O-N 2.89Å; N302-F304 HydrophobicContact CB-CD2 3.48Å; N302-F304 VanDerWaalsContact CB-CD2 3.48Å; N302-F304 HydrophobicContact CB-CE2 3.28Å; N302-F304 HydrophobicContact CB-CG 4.22Å; N302-F304 HydrophobicContact CB-CZ 3.88Å; N302-F304 PolarHBondContact O-N 3.34Å |
| 303 | N | 87.7 | Confident | 74.4 | Confident | 154 Ų | 154 | 75 Ų | 75 | 82% | 0.824 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 37.4 | -176.5 | -62.4 | -47.8 | 0 | 0 | 0 | 114 | L299 R300 | L299-N303 PolarHBondContact O-N 3.42Å; R300-N303 PolarHBondContact O-N 3.25Å; R300-N303 VanDerWaalsContact O-N 3.16Å |
| 304 | F | 82 | Confident | 71.8 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | trans | -89 | 137.8 | 171.5 | -61.8 | -44.7 | 0 | 0 | 0 | 110.4 | R53 F298 L299 N302 D306 | R53-F304 HydrophobicContact CB-CD2 4.5Å; R53-F304 HydrophobicContact CG-CB 4.36Å; R53-F304 HydrophobicContact CG-CD2 4.09Å; R53-F304 HydrophobicContact CG-CG 4.11Å; F298-F304 HydrophobicContact CE1-CD2 4.07Å; F298-F304 HydrophobicContact CE1-CE2 4.09Å; F298-F304 HydrophobicContact CZ-CD2 4.47Å; F298-F304 HydrophobicContact CZ-CE2 4.04Å; L299-F304 HydrophobicContact CB-CB 4.37Å; L299-F304 HydrophobicContact CD2-CB 3.72Å; L299-F304 HydrophobicContact CD2-CD2 4.29Å; L299-F304 HydrophobicContact CD2-CG 4.47Å; L299-F304 PolarHBondContact O-N 3.4Å; N302-F304 HydrophobicContact CB-CD2 3.48Å; N302-F304 VanDerWaalsContact CB-CD2 3.48Å; N302-F304 HydrophobicContact CB-CE2 3.28Å; N302-F304 HydrophobicContact CB-CG 4.22Å; N302-F304 HydrophobicContact CB-CZ 3.88Å; N302-F304 PolarHBondContact O-N 3.34Å; F304-D306 PolarHBondContact O-N 3.15Å | ||
| 305 | E | 74.5 | Confident | 69.1 | Low | 176 Ų | 176 | 77.5 Ų | 77.5 | 82% | 0.822 | 42% | 0.418 | S | S | * | . | trans | -66 | 128.6 | 171 | -76.3 | -170.1 | 150.9 | 0 | 0 | 110.5 | S307 | E305-S307 PolarHBondContact O-N 3.23Š| ||
| 306 | D | 71.4 | Confident | 66.3 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | trans | -72.7 | 103.3 | 172.6 | -168.1 | 2.9 | 0 | 0 | 0 | 109.6 | Y292 L299 F304 G308 | Y292-D306 VanDerWaalsContact OH-CG 3.29Å; Y292-D306 PolarHBondContact OH-OD1 2.82Å; Y292-D306 PolarHBondContact OH-OD2 2.81Å; L299-D306 HydrophobicContact CD1-CB 3.84Å; L299-D306 WeakPolarHBondContact CD1-OD1 3.23Å; F304-D306 PolarHBondContact O-N 3.15Å; D306-G308 PolarHBondContact O-N 3.15Å; D306-G308 WeakPolarHBondContact OD1-CA 2.83Å; D306-G308 PolarHBondContact OD1-N 3.03Å | ||
| 307 | S | 63 | Low | 63.5 | Low | 46 Ų | 46 | 81 Ų | 81 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | trans | -73.3 | -3.8 | 174.1 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | R50 E305 | R50-S307 VanDerWaalsContact CZ-CB 3.47Å; R50-S307 VanDerWaalsContact CZ-O 3.28Å; R50-S307 PolarHBondContact NH1-O 3.41Å; R50-S307 PolarHBondContact NH2-O 2.83Å; E305-S307 PolarHBondContact O-N 3.23Å | ||
| 308 | G | 62.6 | Low | 60.8 | Low | 21 Ų | 21 | 77 Ų | 77 | 22% | 0.216 | 47% | 0.469 | C | S | . | . | trans | 64.8 | 164.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y54 D306 S310 | Y54-G308 PolarHBondContact OH-O 2.04Å; D306-G308 PolarHBondContact O-N 3.15Å; D306-G308 WeakPolarHBondContact OD1-CA 2.83Å; D306-G308 PolarHBondContact OD1-N 3.03Å; G308-S310 PolarHBondContact O-N 2.99Å | ||
| 309 | P | 55.3 | Low | 58.5 | Low | 57 Ų | 57 | 78.5 Ų | 78.5 | 37% | 0.37 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -54 | 135.3 | 172.3 | -12.8 | 21.7 | 0 | 0 | 0 | 106.8 | Y54 Y292 P311 | Y54-P309 WeakPolarHBondContact OH-CA 3.49Å; Y292-P309 HydrophobicContact CE2-CG 4.06Å; P309-P311 WeakPolarHBondContact O-CD 3.27Å; P309-P311 VanDerWaalsContact O-N 3.11Å |
| 310 | S | 47.8 | Very low | 56.9 | Low | 23 Ų | 23 | 81.1 Ų | 81.1 | 16% | 0.161 | 52% | 0.523 | C | S | . | . | trans | -52.2 | 128 | 166.3 | -64.9 | 0 | 0 | 0 | 0 | 105.7 | D46 G308 S312 | D46-S310 WeakPolarHBondContact CB-OG 3.37Å; D46-S310 PolarHBondContact OD2-OG 2.97Å; G308-S310 PolarHBondContact O-N 2.99Å; S310-S312 PolarHBondContact O-N 1.99Å | ||
| 311 | P | 39.1 | Very low | 55.6 | Low | 61 Ų | 61 | 74.2 Ų | 74.2 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | trans | -55.2 | 109.3 | 166 | 22.6 | -28.5 | 0 | 0 | 0 | 103.3 | R48 P309 Q313 | R48-P311 VanDerWaalsContact CZ-CD 3.48Å; P309-P311 WeakPolarHBondContact O-CD 3.27Å; P309-P311 VanDerWaalsContact O-N 3.11Å; P311-Q313 PolarHBondContact O-N 3.01Å | ||
| 312 | S | 40.5 | Very low | 54.8 | Low | 46 Ų | 46 | 72.5 Ų | 72.5 | 32% | 0.322 | 49% | 0.493 | S | S | . | . | trans | -37.3 | 131.1 | 147.4 | 51.2 | 0 | 0 | 0 | 0 | 103.4 | S310 S314 | S310-S312 PolarHBondContact O-N 1.99Å; S312-S314 PolarHBondContact O-N 3.36Å | ||
| 313 | Q | 38.2 | Very low | 54.3 | Low | 170 Ų | 170 | 73.3 Ų | 73.3 | 79% | 0.794 | 49% | 0.494 | S | S | * | . | trans | -54.2 | 91.8 | 167.4 | -81.2 | -177.8 | 3.3 | 0 | 0 | 106.3 | P311 G315 | P311-Q313 PolarHBondContact O-N 3.01Å; Q313-G315 PolarHBondContact O-N 3Å | ||
| 314 | S | 33.7 | Very low | 53.8 | Low | 83 Ų | 83 | 68.1 Ų | 68.1 | 58% | 0.58 | 47% | 0.473 | S | S | * | . | trans | -54.2 | 79.5 | 135 | 45.8 | 0 | 0 | 0 | 0 | 103.2 | S312 G316 | S312-S314 PolarHBondContact O-N 3.36Å; S314-G316 PolarHBondContact O-N 3.19Å | ||
| 315 | G | 34.3 | Very low | 53.8 | Low | 56 Ų | 56 | 65 Ų | 65 | 58% | 0.577 | 46% | 0.459 | S | S | * | . | -44.1 | 103.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 104.5 | Q313 | Q313-G315 PolarHBondContact O-N 3Š| |||
| 316 | G | 29.4 | Very low | 54.2 | Low | 61 Ų | 61 | 56.8 Ų | 56.8 | 63% | 0.629 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -56.8 | 152.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S314 G318 | S314-G316 PolarHBondContact O-N 3.19Å; G316-G318 PolarHBondContact O-N 2.71Å |
| 317 | G | 30.3 | Very low | 54.8 | Low | 93 Ų | 93 | 57.9 Ų | 57.9 | 96% | 0.959 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 46.6 | 73.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 318 | G | 34.5 | Very low | 55.8 | Low | 40 Ų | 40 | 58.7 Ų | 58.7 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | trans | -173.5 | 30 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | G316 G320 G321 Q322 | G316-G318 PolarHBondContact O-N 2.71Å; G318-G320 PolarHBondContact O-N 2.9Å; G318-G321 PolarHBondContact O-N 3.32Å; G318-G321 VanDerWaalsContact O-N 3.1Å; G318-Q322 PolarHBondContact O-N 2.8Å; G318-Q322 VanDerWaalsContact O-N 3.12Å | ||
| 319 | G | 43.6 | Very low | 56.7 | Low | 66 Ų | 66 | 58 Ų | 58 | 68% | 0.68 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.7 | -24.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 320 | G | 54.4 | Low | 57.7 | Low | 60 Ų | 60 | 61.1 Ų | 61.1 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -74.5 | -46.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G318 A324 | G318-G320 PolarHBondContact O-N 2.9Å; G320-A324 WeakPolarHBondContact O-CB 3.18Å; G320-A324 PolarHBondContact O-N 3.19Å; G320-A324 VanDerWaalsContact O-N 3.12Å |
| 321 | G | 65.6 | Low | 58.7 | Low | 24 Ų | 24 | 61.5 Ų | 61.5 | 25% | 0.247 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -73.4 | -38.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | G318 A324 C325 A354 | G318-G321 PolarHBondContact O-N 3.32Å; G318-G321 VanDerWaalsContact O-N 3.1Å; G321-A324 PolarHBondContact O-N 2.83Å; G321-C325 WeakPolarHBondContact O-CB 3.01Å; G321-C325 PolarHBondContact O-N 2.01Å; G321-A354 CarbonylContact C-O 3.38Å; G321-A354 WeakPolarHBondContact CA-O 3.48Å; G321-A354 VanDerWaalsContact O-O 3.09Å |
| 322 | Q | 74.5 | Confident | 59.7 | Low | 68 Ų | 68 | 63.8 Ų | 63.8 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 179.1 | -178 | 168.6 | -4.7 | 0 | 0 | 112.2 | G318 C325 I326 W342 | G318-Q322 PolarHBondContact O-N 2.8Å; G318-Q322 VanDerWaalsContact O-N 3.12Å; Q322-C325 WeakPolarHBondContact O-CB 3.13Å; Q322-C325 PolarHBondContact O-N 3.49Å; Q322-I326 HydrophobicContact CG-CD1 4.16Å; Q322-I326 WeakPolarHBondContact O-CB 3.41Å; Q322-I326 WeakPolarHBondContact O-CG1 3.34Å; Q322-I326 PolarHBondContact O-N 2.95Å; Q322-W342 HydrophobicContact CB-CH2 4.15Å; Q322-W342 HydrophobicContact CB-CZ2 4.04Å; Q322-W342 HydrophobicContact CB-CZ3 4.5Å; Q322-W342 VanDerWaalsContact CD-CD2 3.49Å; Q322-W342 HydrophobicContact CG-CD2 3.58Å; Q322-W342 HydrophobicContact CG-CE3 3.56Å; Q322-W342 HydrophobicContact CG-CG 4.27Å; Q322-W342 HydrophobicContact CG-CH2 3.74Å; Q322-W342 HydrophobicContact CG-CZ2 3.73Å; Q322-W342 HydrophobicContact CG-CZ3 3.64Å; Q322-W342 VanDerWaalsContact NE2-CB 3.27Å; Q322-W342 VanDerWaalsContact NE2-CD2 3.28Å |
| 323 | Q | 77.5 | Confident | 60.2 | Low | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71 | -36.2 | 179.2 | -160.9 | 66.3 | 16.1 | 0 | 0 | 112 | C325 I326 N327 | Q323-C325 VanDerWaalsContact C-N 3.32Å; Q323-I326 PolarHBondContact O-N 2.76Å; Q323-N327 WeakPolarHBondContact O-CB 3.28Å; Q323-N327 PolarHBondContact O-N 3Å; Q323-N327 PolarHBondContact O-ND2 3.07Å |
| 324 | A | 78.6 | Confident | 61.1 | Low | 45 Ų | 45 | 61.8 Ų | 61.8 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G320 G321 N327 A328 A354 | G320-A324 WeakPolarHBondContact O-CB 3.18Å; G320-A324 PolarHBondContact O-N 3.19Å; G320-A324 VanDerWaalsContact O-N 3.12Å; G321-A324 PolarHBondContact O-N 2.83Å; A324-N327 PolarHBondContact O-N 2.81Å; A324-A328 WeakPolarHBondContact O-CB 3.33Å; A324-A328 PolarHBondContact O-N 2.78Å; A324-A354 HydrophobicContact CB-CB 4.31Å |
| 325 | C | 81.1 | Confident | 62.9 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.2 | -53.5 | 176.4 | -158.1 | 0 | 0 | 0 | 0 | 110.3 | G321 Q322 Q323 N327 A328 I329 W342 C347 C351 A354 C355 | G321-C325 WeakPolarHBondContact O-CB 3.01Å; G321-C325 PolarHBondContact O-N 2.01Å; Q322-C325 WeakPolarHBondContact O-CB 3.13Å; Q322-C325 PolarHBondContact O-N 3.49Å; Q323-C325 VanDerWaalsContact C-N 3.32Å; C325-N327 PolarHBondContact O-N 2.86Å; C325-N327 VanDerWaalsContact O-N 3.15Å; C325-A328 WeakPolarHBondContact O-CA 3.37Å; C325-A328 PolarHBondContact O-N 3.32Å; C325-I329 WeakPolarHBondContact O-CG1 2.95Å; C325-I329 PolarHBondContact O-N 3.12Å; C325-W342 HydrophobicContact CB-CH2 3.86Å; C325-W342 HydrophobicContact CB-CZ3 4.4Å; C325-C347 PolarHBondContact SG-O 3.08Å; C325-C351 WeakPolarHBondContact CA-SG 3.46Å; C325-C351 HydrophobicContact CB-CB 3.9Å; C325-C351 WeakPolarHBondContact CB-SG 3.48Å; C325-C351 PolarHBondContact O-SG 2.99Å; C325-C351 WeakPolarHBondContact SG-CB 3.43Å; C325-C351 CovalentContact SG-SG 2Å; C325-C351 PolarHBondContact SG-SG 2.85Å; C325-A354 HydrophobicContact CB-CB 3.91Å; C325-C355 PolarHBondContact SG-SG 3.2Å |
| 326 | I | 82.1 | Confident | 63.8 | Low | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -50.4 | -43.2 | 174.8 | -76 | 166.4 | 0 | 0 | 0 | 111.8 | Q322 Q323 I329 K335 C338 Q339 W342 | Q322-I326 HydrophobicContact CG-CD1 4.16Å; Q322-I326 WeakPolarHBondContact O-CB 3.41Å; Q322-I326 WeakPolarHBondContact O-CG1 3.34Å; Q322-I326 PolarHBondContact O-N 2.95Å; Q323-I326 PolarHBondContact O-N 2.76Å; I326-I329 PolarHBondContact O-N 3.26Å; I326-K335 HydrophobicContact CG2-CG 4.25Å; I326-K335 WeakPolarHBondContact O-CD 3.27Å; I326-K335 WeakPolarHBondContact O-CE 3.49Å; I326-K335 WeakPolarHBondContact O-CG 3.31Å; I326-C338 HydrophobicContact CG1-CB 4.19Å; I326-Q339 HydrophobicContact CB-CG 4.45Å; I326-Q339 HydrophobicContact CD1-CG 4.17Å; I326-Q339 HydrophobicContact CG1-CG 4.31Å; I326-Q339 HydrophobicContact CG2-CG 3.33Å; I326-W342 HydrophobicContact CD1-CE3 4.34Å; I326-W342 HydrophobicContact CD1-CZ3 4.33Å; I326-W342 HydrophobicContact CG1-CE3 4.34Å; I326-W342 HydrophobicContact CG1-CZ3 3.95Å |
| 327 | N | 85 | Confident | 65 | Low | 95 Ų | 95 | 61.8 Ų | 61.8 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.8 | -32.8 | 180 | -74.7 | -24.3 | 0 | 0 | 0 | 113 | Q323 A324 C325 | Q323-N327 WeakPolarHBondContact O-CB 3.28Å; Q323-N327 PolarHBondContact O-N 3Å; Q323-N327 PolarHBondContact O-ND2 3.07Å; A324-N327 PolarHBondContact O-N 2.81Å; C325-N327 PolarHBondContact O-N 2.86Å; C325-N327 VanDerWaalsContact O-N 3.15Å |
| 328 | A | 83.7 | Confident | 66.4 | Low | 62 Ų | 62 | 57.3 Ų | 57.3 | 51% | 0.512 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -78.4 | -17 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | A324 C325 S330 C351 | A324-A328 WeakPolarHBondContact O-CB 3.33Å; A324-A328 PolarHBondContact O-N 2.78Å; C325-A328 WeakPolarHBondContact O-CA 3.37Å; C325-A328 PolarHBondContact O-N 3.32Å; A328-S330 PolarHBondContact O-N 3.37Å; A328-S330 VanDerWaalsContact O-N 3.16Å; A328-C351 HydrophobicContact CB-CB 3.92Å |
| 329 | I | 80.9 | Confident | 67.9 | Low | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | trans | -65.8 | 116 | 177 | -62.6 | 169.2 | 0 | 0 | 0 | 110.1 | C325 I326 K335 C338 L350 C351 | C325-I329 WeakPolarHBondContact O-CG1 2.95Å; C325-I329 PolarHBondContact O-N 3.12Å; I326-I329 PolarHBondContact O-N 3.26Å; I329-K335 HydrophobicContact CB-CB 4.07Å; I329-K335 HydrophobicContact CG2-CB 3.95Å; I329-C338 HydrophobicContact CD1-CB 3.61Å; I329-L350 HydrophobicContact CD1-CB 4.16Å; I329-L350 HydrophobicContact CD1-CD1 3.98Å; I329-L350 HydrophobicContact CG1-CB 3.85Å; I329-L350 HydrophobicContact CG1-CD1 4.38Å; I329-L350 HydrophobicContact CG2-CD1 4.42Å; I329-C351 VanDerWaalsContact CG1-SG 3.55Å | ||
| 330 | S | 77 | Confident | 68 | Low | 122 Ų | 122 | 59.3 Ų | 59.3 | 85% | 0.853 | 35% | 0.349 | S | S | * | . | trans | -76.3 | -29.6 | -178.1 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | A328 P332 | A328-S330 PolarHBondContact O-N 3.37Å; A328-S330 VanDerWaalsContact O-N 3.16Å; S330-P332 WeakPolarHBondContact O-CD 3.25Å | ||
| 331 | S | 69.8 | Low | 67.8 | Low | 31 Ų | 31 | 59.7 Ų | 59.7 | 22% | 0.217 | 33% | 0.332 | C | S | . | . | trans | -77.6 | 117 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | T333 Y334 K335 | S331-T333 PolarHBondContact O-N 3.49Å; S331-Y334 PolarHBondContact O-N 3.09Å; S331-Y334 VanDerWaalsContact OG-CD2 3.27Å; S331-Y334 WeakPolarHBondContact OG-CD2 3.3Å; S331-Y334 PolarHBondContact OG-N 2.72Å; S331-K335 VanDerWaalsContact O-CB 3.29Å; S331-K335 WeakPolarHBondContact O-CB 3.02Å; S331-K335 PolarHBondContact O-N 3.41Å | ||
| 332 | P | 59.8 | Low | 67.8 | Low | 108 Ų | 108 | 61.9 Ų | 61.9 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.2 | -35.2 | 177 | -23.8 | 33.9 | 0 | 0 | 0 | 112.5 | S330 R336 | S330-P332 WeakPolarHBondContact O-CD 3.25Å; P332-R336 WeakPolarHBondContact O-CB 3.31Å; P332-R336 PolarHBondContact O-N 2.87Å |
| 333 | T | 49.8 | Very low | 67 | Low | 101 Ų | 101 | 60.7 Ų | 60.7 | 62% | 0.62 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.3 | -47.7 | 178 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | S331 Y337 | S331-T333 PolarHBondContact O-N 3.49Å; T333-Y337 PolarHBondContact O-N 3.19Å |
| 334 | Y | 57.6 | Low | 66.2 | Low | 74 Ų | 74 | 59.5 Ų | 59.5 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75.9 | -32.1 | -179.6 | -56.7 | -37.5 | 0 | 0 | 0 | 112.4 | S331 Y337 C338 F346 L350 | S331-Y334 PolarHBondContact O-N 3.09Å; S331-Y334 VanDerWaalsContact OG-CD2 3.27Å; S331-Y334 WeakPolarHBondContact OG-CD2 3.3Å; S331-Y334 PolarHBondContact OG-N 2.72Å; Y334-Y337 WeakPolarHBondContact O-CB 3.35Å; Y334-Y337 PolarHBondContact O-N 3.41Å; Y334-C338 PolarHBondContact O-N 2.66Å; Y334-F346 AromaticContact CD1-CZ 3.99Å; Y334-F346 HydrophobicContact CD1-CZ 3.99Å; Y334-F346 HydrophobicContact CE1-CZ 4.33Å; Y334-F346 HydrophobicContact CG-CZ 4.37Å; Y334-L350 HydrophobicContact CD2-CD1 4.43Å; Y334-L350 HydrophobicContact CD2-CD2 4.08Å; Y334-L350 HydrophobicContact CG-CD1 4.16Å |
| 335 | K | 71.5 | Confident | 65.1 | Low | 58 Ų | 58 | 60.9 Ų | 60.9 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 171.8 | -177.2 | 165.1 | -175.8 | 167.4 | 0 | 110.3 | I326 I329 S331 Y337 C338 Q339 | I326-K335 HydrophobicContact CG2-CG 4.25Å; I326-K335 WeakPolarHBondContact O-CD 3.27Å; I326-K335 WeakPolarHBondContact O-CE 3.49Å; I326-K335 WeakPolarHBondContact O-CG 3.31Å; I329-K335 HydrophobicContact CB-CB 4.07Å; I329-K335 HydrophobicContact CG2-CB 3.95Å; S331-K335 VanDerWaalsContact O-CB 3.29Å; S331-K335 WeakPolarHBondContact O-CB 3.02Å; S331-K335 PolarHBondContact O-N 3.41Å; K335-Y337 VanDerWaalsContact C-N 3.32Å; K335-Y337 PolarHBondContact O-N 3.12Å; K335-C338 PolarHBondContact O-N 3.07Å; K335-Q339 WeakPolarHBondContact O-CB 3.38Å; K335-Q339 VanDerWaalsContact O-CG 3.25Å; K335-Q339 WeakPolarHBondContact O-CG 3.45Å; K335-Q339 PolarHBondContact O-N 3.36Å |
| 336 | R | 53.4 | Low | 64.1 | Low | 99 Ų | 99 | 63.1 Ų | 63.1 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.9 | -167.7 | 176.4 | -170.9 | 171.2 | 7.1 | 111.9 | Q196 P332 T340 | Q196-R336 VanDerWaalsContact OE1-NH2 3.08Å; P332-R336 WeakPolarHBondContact O-CB 3.31Å; P332-R336 PolarHBondContact O-N 2.87Å; R336-T340 WeakPolarHBondContact O-CB 3.01Å; R336-T340 WeakPolarHBondContact O-CG2 2.88Å; R336-T340 PolarHBondContact O-N 3.1Å; R336-T340 PolarHBondContact O-OG1 3.38Å |
| 337 | Y | 54.3 | Low | 63.3 | Low | 42 Ų | 42 | 62.9 Ų | 62.9 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 175.1 | 176.7 | -91.4 | 0 | 0 | 0 | 112.1 | I112 T333 Y334 K335 Q339 T340 R341 F346 | I112-Y337 WeakPolarHBondContact CG2-OH 3.21Å; T333-Y337 PolarHBondContact O-N 3.19Å; Y334-Y337 WeakPolarHBondContact O-CB 3.35Å; Y334-Y337 PolarHBondContact O-N 3.41Å; K335-Y337 VanDerWaalsContact C-N 3.32Å; K335-Y337 PolarHBondContact O-N 3.12Å; Y337-Q339 VanDerWaalsContact C-N 3.34Å; Y337-Q339 PolarHBondContact O-N 2.84Å; Y337-T340 WeakPolarHBondContact CA-OG1 3.46Å; Y337-T340 PolarHBondContact O-N 3.32Å; Y337-T340 PolarHBondContact O-OG1 2.91Å; Y337-T340 VanDerWaalsContact O-OG1 3.08Å; Y337-R341 HydrophobicContact CD2-CB 4.46Å; Y337-R341 WeakPolarHBondContact CE1-O 3.44Å; Y337-R341 HydrophobicContact CE2-CB 4.1Å; Y337-R341 CarbonylContact O-C 3.59Å; Y337-R341 WeakPolarHBondContact O-CA 3.33Å; Y337-R341 PolarHBondContact O-N 2.95Å; Y337-F346 AromaticContact CD1-CD1 3.63Å; Y337-F346 HydrophobicContact CD1-CD1 3.63Å; Y337-F346 AromaticContact CD1-CE1 3.48Å; Y337-F346 HydrophobicContact CD1-CE1 3.48Å; Y337-F346 VanDerWaalsContact CD1-CE1 3.48Å; Y337-F346 AromaticContact CE1-CD1 3.46Å; Y337-F346 HydrophobicContact CE1-CD1 3.46Å; Y337-F346 VanDerWaalsContact CE1-CD1 3.46Å; Y337-F346 AromaticContact CE1-CE1 3.75Å; Y337-F346 HydrophobicContact CE1-CE1 3.75Å; Y337-F346 HydrophobicContact CE1-CG 4.33Å; Y337-F346 HydrophobicContact CG-CE1 4.39Å |
| 338 | C | 58.9 | Low | 62.8 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.9 | -24.3 | -178.3 | -71.7 | 0 | 0 | 0 | 0 | 113.7 | I326 I329 Y334 K335 W342 C347 | I326-C338 HydrophobicContact CG1-CB 4.19Å; I329-C338 HydrophobicContact CD1-CB 3.61Å; Y334-C338 PolarHBondContact O-N 2.66Å; K335-C338 PolarHBondContact O-N 3.07Å; C338-W342 HydrophobicContact CB-CE3 4.17Å; C338-W342 HydrophobicContact CB-CZ3 4.25Å; C338-C347 WeakPolarHBondContact CA-SG 3.3Å; C338-C347 HydrophobicContact CB-CB 3.83Å; C338-C347 WeakPolarHBondContact CB-SG 3.37Å; C338-C347 WeakPolarHBondContact SG-CA 3.45Å; C338-C347 WeakPolarHBondContact SG-CB 3.47Å; C338-C347 CovalentContact SG-SG 2.04Å; C338-C347 PolarHBondContact SG-SG 3.25Å |
| 339 | Q | 66.2 | Low | 62.3 | Low | 88 Ų | 88 | 60.4 Ų | 60.4 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 166.9 | -76.2 | 171.1 | -34.9 | 0 | 0 | 111.4 | I326 K335 Y337 | I326-Q339 HydrophobicContact CB-CG 4.45Å; I326-Q339 HydrophobicContact CD1-CG 4.17Å; I326-Q339 HydrophobicContact CG1-CG 4.31Å; I326-Q339 HydrophobicContact CG2-CG 3.33Å; K335-Q339 WeakPolarHBondContact O-CB 3.38Å; K335-Q339 VanDerWaalsContact O-CG 3.25Å; K335-Q339 WeakPolarHBondContact O-CG 3.45Å; K335-Q339 PolarHBondContact O-N 3.36Å; Y337-Q339 VanDerWaalsContact C-N 3.34Å; Y337-Q339 PolarHBondContact O-N 2.84Å |
| 340 | T | 45.8 | Very low | 62 | Low | 59 Ų | 59 | 62.6 Ų | 62.6 | 36% | 0.362 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.5 | -32.3 | -175.3 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | E189 R336 Y337 | E189-T340 VanDerWaalsContact CD-CG2 3.44Å; E189-T340 HydrophobicContact CG-CG2 4.48Å; E189-T340 WeakPolarHBondContact OE1-CA 3.11Å; E189-T340 WeakPolarHBondContact OE1-CG2 3.31Å; R336-T340 WeakPolarHBondContact O-CB 3.01Å; R336-T340 WeakPolarHBondContact O-CG2 2.88Å; R336-T340 PolarHBondContact O-N 3.1Å; R336-T340 PolarHBondContact O-OG1 3.38Å; Y337-T340 WeakPolarHBondContact CA-OG1 3.46Å; Y337-T340 PolarHBondContact O-N 3.32Å; Y337-T340 PolarHBondContact O-OG1 2.91Å; Y337-T340 VanDerWaalsContact O-OG1 3.08Å |
| 341 | R | 50.3 | Low | 62.1 | Low | 69 Ų | 69 | 57.1 Ų | 57.1 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -146.7 | 84.5 | -170.1 | -111.3 | -176.9 | 175.7 | 178.3 | -1 | 110 | T181 S183 Y337 N343 | T181-R341 PolarHBondContact O-NH2 3.01Å; S183-R341 VanDerWaalsContact OG-CZ 3.28Å; S183-R341 PolarHBondContact OG-NE 3.3Å; S183-R341 PolarHBondContact OG-NH2 3.19Å; Y337-R341 HydrophobicContact CD2-CB 4.46Å; Y337-R341 WeakPolarHBondContact CE1-O 3.44Å; Y337-R341 HydrophobicContact CE2-CB 4.1Å; Y337-R341 CarbonylContact O-C 3.59Å; Y337-R341 WeakPolarHBondContact O-CA 3.33Å; Y337-R341 PolarHBondContact O-N 2.95Å; R341-N343 PolarHBondContact O-N 2.91Å; R341-N343 VanDerWaalsContact O-N 3.16Å |
| 342 | W | 65.7 | Low | 62.1 | Low | 70 Ų | 70 | 61.2 Ų | 61.2 | 27% | 0.265 | 33% | 0.328 | S | S | . | . | trans | -67.8 | 115.2 | 176.1 | -172 | -108.3 | 0 | 0 | 0 | 111.2 | Q322 C325 I326 C338 C347 | Q322-W342 HydrophobicContact CB-CH2 4.15Å; Q322-W342 HydrophobicContact CB-CZ2 4.04Å; Q322-W342 HydrophobicContact CB-CZ3 4.5Å; Q322-W342 VanDerWaalsContact CD-CD2 3.49Å; Q322-W342 HydrophobicContact CG-CD2 3.58Å; Q322-W342 HydrophobicContact CG-CE3 3.56Å; Q322-W342 HydrophobicContact CG-CG 4.27Å; Q322-W342 HydrophobicContact CG-CH2 3.74Å; Q322-W342 HydrophobicContact CG-CZ2 3.73Å; Q322-W342 HydrophobicContact CG-CZ3 3.64Å; Q322-W342 VanDerWaalsContact NE2-CB 3.27Å; Q322-W342 VanDerWaalsContact NE2-CD2 3.28Å; C325-W342 HydrophobicContact CB-CH2 3.86Å; C325-W342 HydrophobicContact CB-CZ3 4.4Å; I326-W342 HydrophobicContact CD1-CE3 4.34Å; I326-W342 HydrophobicContact CD1-CZ3 4.33Å; I326-W342 HydrophobicContact CG1-CE3 4.34Å; I326-W342 HydrophobicContact CG1-CZ3 3.95Å; C338-W342 HydrophobicContact CB-CE3 4.17Å; C338-W342 HydrophobicContact CB-CZ3 4.25Å; W342-C347 HydrophobicContact CD2-CB 4.09Å; W342-C347 HydrophobicContact CE3-CB 3.54Å; W342-C347 HydrophobicContact CH2-CB 3.69Å; W342-C347 HydrophobicContact CZ2-CB 4.22Å; W342-C347 HydrophobicContact CZ3-CB 3.32Å | ||
| 343 | N | 57.9 | Low | 62.5 | Low | 42 Ų | 42 | 59.7 Ų | 59.7 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | trans | -119.5 | 108.3 | 166.7 | 176.5 | -17.4 | 0 | 0 | 0 | 107.1 | R341 A345 F346 C347 | R341-N343 PolarHBondContact O-N 2.91Å; R341-N343 VanDerWaalsContact O-N 3.16Å; N343-A345 PolarHBondContact O-N 2.66Å; N343-A345 PolarHBondContact OD1-N 2.97Å; N343-A345 VanDerWaalsContact OD1-N 3.1Å; N343-F346 HydrophobicContact CB-CB 4.18Å; N343-F346 PolarHBondContact O-N 3.26Å; N343-C347 WeakPolarHBondContact O-CB 3.45Å; N343-C347 PolarHBondContact O-N 2.92Å | ||
| 344 | P | 61.4 | Low | 63.5 | Low | 72 Ų | 72 | 56.2 Ų | 56.2 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.6 | -40.5 | -176 | -23.4 | 29.6 | 0 | 0 | 0 | 112.9 | F346 C348 | P344-F346 VanDerWaalsContact C-N 3.27Å; P344-F346 PolarHBondContact O-N 3.13Å; P344-C348 WeakPolarHBondContact O-CB 3.4Å; P344-C348 PolarHBondContact O-N 3.09Å; P344-C348 VanDerWaalsContact O-N 3.1Å; P344-C348 PolarHBondContact O-SG 3.1Å; P344-C348 VanDerWaalsContact O-SG 3.36Å |
| 345 | A | 54.3 | Low | 63.9 | Low | 74 Ų | 74 | 56.8 Ų | 56.8 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.3 | -20.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N343 N349 | N343-A345 PolarHBondContact O-N 2.66Å; N343-A345 PolarHBondContact OD1-N 2.97Å; N343-A345 VanDerWaalsContact OD1-N 3.1Å; A345-N349 PolarHBondContact O-ND2 3.38Å |
| 346 | F | 60.9 | Low | 63.5 | Low | 47 Ų | 47 | 56.8 Ų | 56.8 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -99.5 | -50.7 | 175.4 | 175.5 | -99.5 | 0 | 0 | 0 | 111.1 | Y334 Y337 N343 P344 N349 L350 | Y334-F346 AromaticContact CD1-CZ 3.99Å; Y334-F346 HydrophobicContact CD1-CZ 3.99Å; Y334-F346 HydrophobicContact CE1-CZ 4.33Å; Y334-F346 HydrophobicContact CG-CZ 4.37Å; Y337-F346 AromaticContact CD1-CD1 3.63Å; Y337-F346 HydrophobicContact CD1-CD1 3.63Å; Y337-F346 AromaticContact CD1-CE1 3.48Å; Y337-F346 HydrophobicContact CD1-CE1 3.48Å; Y337-F346 VanDerWaalsContact CD1-CE1 3.48Å; Y337-F346 AromaticContact CE1-CD1 3.46Å; Y337-F346 HydrophobicContact CE1-CD1 3.46Å; Y337-F346 VanDerWaalsContact CE1-CD1 3.46Å; Y337-F346 AromaticContact CE1-CE1 3.75Å; Y337-F346 HydrophobicContact CE1-CE1 3.75Å; Y337-F346 HydrophobicContact CE1-CG 4.33Å; Y337-F346 HydrophobicContact CG-CE1 4.39Å; N343-F346 HydrophobicContact CB-CB 4.18Å; N343-F346 PolarHBondContact O-N 3.26Å; P344-F346 VanDerWaalsContact C-N 3.27Å; P344-F346 PolarHBondContact O-N 3.13Å; F346-N349 PolarHBondContact O-N 3.09Å; F346-L350 HydrophobicContact CD1-CD1 4.05Å; F346-L350 HydrophobicContact CE1-CD1 3.51Å; F346-L350 HydrophobicContact CE1-CG 4.43Å; F346-L350 HydrophobicContact CZ-CD1 3.88Å; F346-L350 PolarHBondContact O-N 2.85Å |
| 347 | C | 64.8 | Low | 64 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | -172.2 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | C325 C338 W342 N343 N349 L350 C351 | C325-C347 PolarHBondContact SG-O 3.08Å; C338-C347 WeakPolarHBondContact CA-SG 3.3Å; C338-C347 HydrophobicContact CB-CB 3.83Å; C338-C347 WeakPolarHBondContact CB-SG 3.37Å; C338-C347 WeakPolarHBondContact SG-CA 3.45Å; C338-C347 WeakPolarHBondContact SG-CB 3.47Å; C338-C347 CovalentContact SG-SG 2.04Å; C338-C347 PolarHBondContact SG-SG 3.25Å; W342-C347 HydrophobicContact CD2-CB 4.09Å; W342-C347 HydrophobicContact CE3-CB 3.54Å; W342-C347 HydrophobicContact CH2-CB 3.69Å; W342-C347 HydrophobicContact CZ2-CB 4.22Å; W342-C347 HydrophobicContact CZ3-CB 3.32Å; N343-C347 WeakPolarHBondContact O-CB 3.45Å; N343-C347 PolarHBondContact O-N 2.92Å; C347-N349 VanDerWaalsContact C-N 3.25Å; C347-N349 PolarHBondContact O-N 2.97Å; C347-L350 WeakPolarHBondContact O-CB 3.38Å; C347-L350 PolarHBondContact O-N 3.33Å; C347-C351 PolarHBondContact O-SG 2.91Å |
| 348 | C | 74.9 | Confident | 64.6 | Low | 30 Ų | 30 | 55.2 Ų | 55.2 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -66.8 | -28.7 | 178.1 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | P344 L350 C351 C355 | P344-C348 WeakPolarHBondContact O-CB 3.4Å; P344-C348 PolarHBondContact O-N 3.09Å; P344-C348 VanDerWaalsContact O-N 3.1Å; P344-C348 PolarHBondContact O-SG 3.1Å; P344-C348 VanDerWaalsContact O-SG 3.36Å; C348-L350 PolarHBondContact O-N 2.89Å; C348-C351 CarbonylContact O-C 3.57Å; C348-C351 PolarHBondContact O-N 2.89Å; C348-C355 WeakPolarHBondContact CA-SG 3.2Å; C348-C355 HydrophobicContact CB-CB 3.31Å; C348-C355 WeakPolarHBondContact CB-SG 3.33Å; C348-C355 WeakPolarHBondContact SG-CB 3.4Å; C348-C355 CovalentContact SG-SG 2.04Å; C348-C355 PolarHBondContact SG-SG 2.79Å |
| 349 | N | 73.8 | Confident | 64.9 | Low | 74 Ų | 74 | 58.5 Ų | 58.5 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -70.8 | -19.7 | 174.3 | -78.8 | -27 | 0 | 0 | 0 | 113.4 | E156 A345 F346 C347 C351 | E156-N349 WeakPolarHBondContact OE1-CB 3.37Å; E156-N349 PolarHBondContact OE1-ND2 3.27Å; E156-N349 PolarHBondContact OE1-OD1 2.78Å; E156-N349 PolarHBondContact OE2-ND2 3.18Å; A345-N349 PolarHBondContact O-ND2 3.38Å; F346-N349 PolarHBondContact O-N 3.09Å; C347-N349 VanDerWaalsContact C-N 3.25Å; C347-N349 PolarHBondContact O-N 2.97Å; N349-C351 VanDerWaalsContact C-N 3.32Å |
| 350 | L | 73.7 | Confident | 64.9 | Low | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.288 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -82.6 | -12.3 | 175.6 | -62.1 | 172.9 | 0 | 0 | 0 | 113.3 | I329 Y334 F346 C347 C348 | I329-L350 HydrophobicContact CD1-CB 4.16Å; I329-L350 HydrophobicContact CD1-CD1 3.98Å; I329-L350 HydrophobicContact CG1-CB 3.85Å; I329-L350 HydrophobicContact CG1-CD1 4.38Å; I329-L350 HydrophobicContact CG2-CD1 4.42Å; Y334-L350 HydrophobicContact CD2-CD1 4.43Å; Y334-L350 HydrophobicContact CD2-CD2 4.08Å; Y334-L350 HydrophobicContact CG-CD1 4.16Å; F346-L350 HydrophobicContact CD1-CD1 4.05Å; F346-L350 HydrophobicContact CE1-CD1 3.51Å; F346-L350 HydrophobicContact CE1-CG 4.43Å; F346-L350 HydrophobicContact CZ-CD1 3.88Å; F346-L350 PolarHBondContact O-N 2.85Å; C347-L350 WeakPolarHBondContact O-CB 3.38Å; C347-L350 PolarHBondContact O-N 3.33Å; C348-L350 PolarHBondContact O-N 2.89Å |
| 351 | C | 79.6 | Confident | 66.1 | Low | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -144 | 69.6 | -177.6 | 18.7 | 0 | 0 | 0 | 0 | 110.1 | C325 A328 I329 C347 C348 N349 G353 A354 | C325-C351 WeakPolarHBondContact CA-SG 3.46Å; C325-C351 HydrophobicContact CB-CB 3.9Å; C325-C351 WeakPolarHBondContact CB-SG 3.48Å; C325-C351 PolarHBondContact O-SG 2.99Å; C325-C351 WeakPolarHBondContact SG-CB 3.43Å; C325-C351 CovalentContact SG-SG 2Å; C325-C351 PolarHBondContact SG-SG 2.85Å; A328-C351 HydrophobicContact CB-CB 3.92Å; I329-C351 VanDerWaalsContact CG1-SG 3.55Å; C347-C351 PolarHBondContact O-SG 2.91Å; C348-C351 CarbonylContact O-C 3.57Å; C348-C351 PolarHBondContact O-N 2.89Å; N349-C351 VanDerWaalsContact C-N 3.32Å; C351-G353 PolarHBondContact O-N 2.97Å; C351-A354 HydrophobicContact CB-CB 4.07Å; C351-A354 PolarHBondContact O-N 3.42Å; C351-A354 VanDerWaalsContact O-N 3.08Å |
| 352 | P | 69.4 | Low | 67.3 | Low | 117 Ų | 117 | 55.6 Ų | 55.6 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125 | -177.5 | -21.1 | 33.1 | 0 | 0 | 0 | 111.1 | ||
| 353 | G | 68.9 | Low | 67.4 | Low | 76 Ų | 76 | 54.5 Ų | 54.5 | 78% | 0.784 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -2.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C351 C355 | C351-G353 PolarHBondContact O-N 2.97Å; G353-C355 VanDerWaalsContact C-OXT 3.32Å; G353-C355 WeakPolarHBondContact CA-OXT 3.03Å; G353-C355 PolarHBondContact N-OXT 2.96Å |
| 354 | A | 71 | Confident | 68.2 | Low | 28 Ų | 28 | 55.5 Ų | 55.5 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -30.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G321 A324 C325 C351 | G321-A354 CarbonylContact C-O 3.38Å; G321-A354 WeakPolarHBondContact CA-O 3.48Å; G321-A354 VanDerWaalsContact O-O 3.09Å; A324-A354 HydrophobicContact CB-CB 4.31Å; C325-A354 HydrophobicContact CB-CB 3.91Å; C351-A354 HydrophobicContact CB-CB 4.07Å; C351-A354 PolarHBondContact O-N 3.42Å; C351-A354 VanDerWaalsContact O-N 3.08Å |
| 355 | C | 65.5 | Low | 68.8 | Low | 87 Ų | 87 | 54 Ų | 54 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | trans | -88.6 | 0 | 149.2 | -64.1 | 0 | 0 | 0 | 0 | 109.1 | C325 C348 G353 | C325-C355 PolarHBondContact SG-SG 3.2Å; C348-C355 WeakPolarHBondContact CA-SG 3.2Å; C348-C355 HydrophobicContact CB-CB 3.31Å; C348-C355 WeakPolarHBondContact CB-SG 3.33Å; C348-C355 WeakPolarHBondContact SG-CB 3.4Å; C348-C355 CovalentContact SG-SG 2.04Å; C348-C355 PolarHBondContact SG-SG 2.79Å; G353-C355 VanDerWaalsContact C-OXT 3.32Å; G353-C355 WeakPolarHBondContact CA-OXT 3.03Å; G353-C355 PolarHBondContact N-OXT 2.96Å |
Retrieved 355 of 355 residues in 178.6 ms
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