| 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 | 34.3 | Very low | 33.2 | Very low | 242 Ų | 242 | 126.2 Ų | 126.2 | 100% | 1.192 | 70% | 0.701 | S | S | * | * | 0 | 90 | 0 | -74.4 | 170 | 159 | 0 | 0 | 107.3 | |||||
| 2 | T | 27.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -133.6 | 117 | -164.4 | 38.2 | 0 | 0 | 0 | 0 | 111.8 | Q4 | T2-Q4 PolarHBondContact O-N 3.44Å; T2-Q4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | H | 33.9 | Very low | 33.6 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 43.6 | 49.4 | 133.5 | -100.2 | -88.4 | 0 | 0 | 0 | 120.6 | ||
| 4 | Q | 36.3 | Very low | 34 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 89% | 0.893 | 68% | 0.68 | S | S | * | * | trans | -124.1 | 4.3 | 166.1 | -86.6 | -175.9 | -11.6 | 0 | 0 | 115.6 | T2 | T2-Q4 PolarHBondContact O-N 3.44Å; T2-Q4 VanDerWaalsContact O-N 3.13Å | ||
| 5 | G | 33 | Very low | 34.5 | Very low | 56 Ų | 56 | 129.7 Ų | 129.7 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -93.3 | -14.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 6 | I | 32.6 | Very low | 34.9 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 53% | 0.528 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -93.5 | -22.8 | -167.4 | -58.6 | 172.1 | 0 | 0 | 0 | 112.1 | C8 V10 | I6-C8 PolarHBondContact O-N 2.75Å; I6-V10 HydrophobicContact CG2-CG2 3.81Å; I6-V10 WeakPolarHBondContact O-CB 3.44Å; I6-V10 WeakPolarHBondContact O-CG2 3.34Å; I6-V10 PolarHBondContact O-N 3.44Å |
| 7 | G | 29.2 | Very low | 34.9 | Very low | 50 Ų | 50 | 122.8 Ų | 122.8 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.8 | -22.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K11 | G7-K11 WeakPolarHBondContact O-CB 3.39Å; G7-K11 VanDerWaalsContact O-CG 3.32Å; G7-K11 WeakPolarHBondContact O-CG 3.48Å; G7-K11 PolarHBondContact O-N 3.02Å |
| 8 | C | 34.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 70% | 0.696 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -85.4 | -38.2 | 179.8 | -146.8 | 0 | 0 | 0 | 0 | 111.6 | I6 K11 W12 | I6-C8 PolarHBondContact O-N 2.75Å; C8-K11 PolarHBondContact O-N 3.05Å; C8-W12 WeakPolarHBondContact O-CB 3.27Å; C8-W12 PolarHBondContact O-N 3.4Å |
| 9 | L | 30.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 62% | 0.618 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.7 | -36.9 | 172 | -95.2 | 154.4 | 0 | 0 | 0 | 111.9 | L13 | L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.1Å; L9-L13 WeakPolarHBondContact O-CG 3.16Å; L9-L13 PolarHBondContact O-N 2.9Å |
| 10 | V | 33.8 | Very low | 36.2 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 47% | 0.467 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.6 | -34.1 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | I6 L13 Y14 | I6-V10 HydrophobicContact CG2-CG2 3.81Å; I6-V10 WeakPolarHBondContact O-CB 3.44Å; I6-V10 WeakPolarHBondContact O-CG2 3.34Å; I6-V10 PolarHBondContact O-N 3.44Å; V10-L13 CarbonylContact O-C 3.49Å; V10-Y14 VanDerWaalsContact O-CB 3.28Å; V10-Y14 WeakPolarHBondContact O-CB 3.31Å; V10-Y14 PolarHBondContact O-N 3.43Å |
| 11 | K | 39.3 | Very low | 36.4 | Very low | 148 Ų | 148 | 115.6 Ų | 115.6 | 64% | 0.643 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.6 | -37 | 173.4 | -82 | -174.5 | 174 | -163.3 | 0 | 113.5 | G7 C8 Y14 L15 | G7-K11 WeakPolarHBondContact O-CB 3.39Å; G7-K11 VanDerWaalsContact O-CG 3.32Å; G7-K11 WeakPolarHBondContact O-CG 3.48Å; G7-K11 PolarHBondContact O-N 3.02Å; C8-K11 PolarHBondContact O-N 3.05Å; K11-Y14 PolarHBondContact O-N 2.89Å; K11-L15 PolarHBondContact O-N 3.06Å |
| 12 | W | 37.9 | Very low | 36.9 | Very low | 190 Ų | 190 | 109.6 Ų | 109.6 | 72% | 0.72 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.2 | -39.8 | 173 | -143.9 | 82.4 | 0 | 0 | 0 | 110.9 | C8 Y14 L15 V16 | C8-W12 WeakPolarHBondContact O-CB 3.27Å; C8-W12 PolarHBondContact O-N 3.4Å; W12-Y14 VanDerWaalsContact C-N 3.3Å; W12-Y14 PolarHBondContact O-N 2.98Å; W12-L15 PolarHBondContact O-N 3.35Å; W12-V16 HydrophobicContact CD2-CG2 4.09Å; W12-V16 HydrophobicContact CE3-CG2 3.57Å; W12-V16 HydrophobicContact CH2-CG2 4.19Å; W12-V16 HydrophobicContact CZ3-CG2 3.63Å; W12-V16 WeakPolarHBondContact O-CB 3.36Å; W12-V16 WeakPolarHBondContact O-CG2 3.28Å; W12-V16 PolarHBondContact O-N 3.48Å |
| 13 | L | 34.2 | Very low | 37.4 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -32.7 | 167.9 | -88.1 | 152.1 | 0 | 0 | 0 | 111.7 | L9 V10 L17 | L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.1Å; L9-L13 WeakPolarHBondContact O-CG 3.16Å; L9-L13 PolarHBondContact O-N 2.9Å; V10-L13 CarbonylContact O-C 3.49Å; L13-L17 HydrophobicContact CB-CD1 4.31Å; L13-L17 HydrophobicContact CD2-CD1 4.39Å; L13-L17 VanDerWaalsContact O-CA 3.32Å; L13-L17 WeakPolarHBondContact O-CA 3.47Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 VanDerWaalsContact O-CD1 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.4Å; L13-L17 WeakPolarHBondContact O-CG 3.21Å; L13-L17 PolarHBondContact O-N 2.79Å |
| 14 | Y | 38.3 | Very low | 37.4 | Very low | 158 Ų | 158 | 102.9 Ų | 102.9 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.9 | -40.9 | 176.5 | -130 | -102.3 | 0 | 0 | 0 | 112.1 | V10 K11 W12 I18 | V10-Y14 VanDerWaalsContact O-CB 3.28Å; V10-Y14 WeakPolarHBondContact O-CB 3.31Å; V10-Y14 PolarHBondContact O-N 3.43Å; K11-Y14 PolarHBondContact O-N 2.89Å; W12-Y14 VanDerWaalsContact C-N 3.3Å; W12-Y14 PolarHBondContact O-N 2.98Å; Y14-I18 HydrophobicContact CD1-CD1 3.7Å; Y14-I18 HydrophobicContact CD1-CG1 4.36Å; Y14-I18 HydrophobicContact CE1-CD1 4.23Å; Y14-I18 WeakPolarHBondContact O-CB 3.45Å; Y14-I18 WeakPolarHBondContact O-CD1 3.48Å; Y14-I18 WeakPolarHBondContact O-CG1 3.34Å; Y14-I18 PolarHBondContact O-N 2.71Å |
| 15 | L | 41.7 | Very low | 37.6 | Very low | 119 Ų | 119 | 98.5 Ų | 98.5 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.9 | -39.9 | 174.7 | -113.5 | 156.5 | 0 | 0 | 0 | 111.5 | K11 W12 I18 V19 | K11-L15 PolarHBondContact O-N 3.06Å; W12-L15 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 3.01Å; L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 WeakPolarHBondContact O-CG2 3.38Å; L15-V19 PolarHBondContact O-N 3.39Å |
| 16 | V | 40.4 | Very low | 37.8 | Very low | 56 Ų | 56 | 98.3 Ų | 98.3 | 34% | 0.339 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.6 | -38.9 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | W12 V19 H20 | W12-V16 HydrophobicContact CD2-CG2 4.09Å; W12-V16 HydrophobicContact CE3-CG2 3.57Å; W12-V16 HydrophobicContact CH2-CG2 4.19Å; W12-V16 HydrophobicContact CZ3-CG2 3.63Å; W12-V16 WeakPolarHBondContact O-CB 3.36Å; W12-V16 WeakPolarHBondContact O-CG2 3.28Å; W12-V16 PolarHBondContact O-N 3.48Å; V16-V19 CarbonylContact O-C 3.43Å; V16-V19 PolarHBondContact O-N 3.47Å; V16-H20 VanDerWaalsContact O-CB 3.23Å; V16-H20 WeakPolarHBondContact O-CB 3.27Å; V16-H20 PolarHBondContact O-N 3.19Å |
| 17 | L | 36.2 | Very low | 38.2 | Very low | 87 Ų | 87 | 100.4 Ų | 100.4 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -32.7 | 174.1 | -79 | 160.2 | 0 | 0 | 0 | 111.1 | L13 H20 T21 | L13-L17 HydrophobicContact CB-CD1 4.31Å; L13-L17 HydrophobicContact CD2-CD1 4.39Å; L13-L17 VanDerWaalsContact O-CA 3.32Å; L13-L17 WeakPolarHBondContact O-CA 3.47Å; L13-L17 WeakPolarHBondContact O-CB 3.24Å; L13-L17 VanDerWaalsContact O-CD1 3.24Å; L13-L17 WeakPolarHBondContact O-CD1 3.4Å; L13-L17 WeakPolarHBondContact O-CG 3.21Å; L13-L17 PolarHBondContact O-N 2.79Å; L17-H20 PolarHBondContact O-N 2.83Å; L17-T21 WeakPolarHBondContact O-CA 3.49Å; L17-T21 WeakPolarHBondContact O-CB 3.34Å; L17-T21 WeakPolarHBondContact O-CG2 3.21Å; L17-T21 PolarHBondContact O-N 2.82Å; L17-T21 PolarHBondContact O-OG1 3.09Å |
| 18 | I | 48.4 | Very low | 38.5 | Very low | 77 Ų | 77 | 104.1 Ų | 104.1 | 40% | 0.395 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 172 | -74.8 | 164.6 | 0 | 0 | 0 | 109.4 | Y14 L15 H20 T21 L22 | Y14-I18 HydrophobicContact CD1-CD1 3.7Å; Y14-I18 HydrophobicContact CD1-CG1 4.36Å; Y14-I18 HydrophobicContact CE1-CD1 4.23Å; Y14-I18 WeakPolarHBondContact O-CB 3.45Å; Y14-I18 WeakPolarHBondContact O-CD1 3.48Å; Y14-I18 WeakPolarHBondContact O-CG1 3.34Å; Y14-I18 PolarHBondContact O-N 2.71Å; L15-I18 PolarHBondContact O-N 3.01Å; I18-H20 PolarHBondContact O-N 2.88Å; I18-T21 WeakPolarHBondContact CA-OG1 3.35Å; I18-T21 PolarHBondContact O-OG1 2.89Å; I18-L22 HydrophobicContact CG2-CD1 3.63Å; I18-L22 HydrophobicContact CG2-CG 4.31Å; I18-L22 WeakPolarHBondContact O-CB 3.24Å; I18-L22 WeakPolarHBondContact O-CD1 3.22Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.04Å |
| 19 | V | 43.7 | Very low | 38.5 | Very low | 82 Ų | 82 | 106 Ų | 106 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 174.1 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L15 V16 L23 | L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 WeakPolarHBondContact O-CG2 3.38Å; L15-V19 PolarHBondContact O-N 3.39Å; V16-V19 CarbonylContact O-C 3.43Å; V16-V19 PolarHBondContact O-N 3.47Å; V19-L23 HydrophobicContact CG1-CD1 4.33Å; V19-L23 WeakPolarHBondContact O-CB 3.35Å; V19-L23 WeakPolarHBondContact O-CD1 3.17Å; V19-L23 WeakPolarHBondContact O-CG 3.36Å; V19-L23 PolarHBondContact O-N 3.46Å; V19-L23 VanDerWaalsContact O-N 3.07Å |
| 20 | H | 37.2 | Very low | 38.5 | Very low | 115 Ų | 115 | 104.5 Ų | 104.5 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -77.4 | -34.4 | 177.6 | -130.7 | 107.6 | 0 | 0 | 0 | 113.1 | V16 L17 I18 L23 C24 | V16-H20 VanDerWaalsContact O-CB 3.23Å; V16-H20 WeakPolarHBondContact O-CB 3.27Å; V16-H20 PolarHBondContact O-N 3.19Å; L17-H20 PolarHBondContact O-N 2.83Å; I18-H20 PolarHBondContact O-N 2.88Å; H20-L23 CarbonylContact O-C 3.58Å; H20-L23 PolarHBondContact O-N 2.83Å; H20-C24 WeakPolarHBondContact O-CB 3.3Å; H20-C24 PolarHBondContact O-N 2.86Å |
| 21 | T | 41.2 | Very low | 38.5 | Very low | 65 Ų | 65 | 110.6 Ų | 110.6 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -77.6 | -32.8 | 176 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | L17 I18 L23 C24 I25 | L17-T21 WeakPolarHBondContact O-CA 3.49Å; L17-T21 WeakPolarHBondContact O-CB 3.34Å; L17-T21 WeakPolarHBondContact O-CG2 3.21Å; L17-T21 PolarHBondContact O-N 2.82Å; L17-T21 PolarHBondContact O-OG1 3.09Å; I18-T21 WeakPolarHBondContact CA-OG1 3.35Å; I18-T21 PolarHBondContact O-OG1 2.89Å; T21-L23 VanDerWaalsContact C-N 3.3Å; T21-C24 CarbonylContact O-C 3.59Å; T21-C24 PolarHBondContact O-N 3.25Å; T21-C24 VanDerWaalsContact O-N 3.17Å; T21-I25 WeakPolarHBondContact O-CB 3.42Å; T21-I25 WeakPolarHBondContact O-CD1 3.23Å; T21-I25 WeakPolarHBondContact O-CG1 3.25Å; T21-I25 PolarHBondContact O-N 3.18Å |
| 22 | L | 44 | Very low | 38.5 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -31.7 | 167.5 | -69.8 | 168.6 | 0 | 0 | 0 | 112 | I18 | I18-L22 HydrophobicContact CG2-CD1 3.63Å; I18-L22 HydrophobicContact CG2-CG 4.31Å; I18-L22 WeakPolarHBondContact O-CB 3.24Å; I18-L22 WeakPolarHBondContact O-CD1 3.22Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.04Å |
| 23 | L | 38.7 | Very low | 38.5 | Very low | 107 Ų | 107 | 110 Ų | 110 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.6 | -30.7 | 168.1 | -80.1 | 163.3 | 0 | 0 | 0 | 113.2 | V19 H20 T21 | V19-L23 HydrophobicContact CG1-CD1 4.33Å; V19-L23 WeakPolarHBondContact O-CB 3.35Å; V19-L23 WeakPolarHBondContact O-CD1 3.17Å; V19-L23 WeakPolarHBondContact O-CG 3.36Å; V19-L23 PolarHBondContact O-N 3.46Å; V19-L23 VanDerWaalsContact O-N 3.07Å; H20-L23 CarbonylContact O-C 3.58Å; H20-L23 PolarHBondContact O-N 2.83Å; T21-L23 VanDerWaalsContact C-N 3.3Å |
| 24 | C | 33.8 | Very low | 38.6 | Very low | 52 Ų | 52 | 113.7 Ų | 113.7 | 35% | 0.351 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -84.7 | -29.4 | 178.8 | -82.7 | 0 | 0 | 0 | 0 | 114.4 | H20 T21 G26 Q27 L28 | H20-C24 WeakPolarHBondContact O-CB 3.3Å; H20-C24 PolarHBondContact O-N 2.86Å; T21-C24 CarbonylContact O-C 3.59Å; T21-C24 PolarHBondContact O-N 3.25Å; T21-C24 VanDerWaalsContact O-N 3.17Å; C24-G26 VanDerWaalsContact C-N 3.28Å; C24-G26 PolarHBondContact O-N 3.37Å; C24-Q27 PolarHBondContact O-N 3.26Å; C24-L28 PolarHBondContact O-N 2.93Å; C24-L28 VanDerWaalsContact O-N 3.09Å |
| 25 | I | 41.1 | Very low | 38.6 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.7 | -34.8 | 176.5 | -68.7 | 161.6 | 0 | 0 | 0 | 109.9 | T21 Q27 L28 E29 | T21-I25 WeakPolarHBondContact O-CB 3.42Å; T21-I25 WeakPolarHBondContact O-CD1 3.23Å; T21-I25 WeakPolarHBondContact O-CG1 3.25Å; T21-I25 PolarHBondContact O-N 3.18Å; I25-Q27 PolarHBondContact O-N 3.31Å; I25-L28 PolarHBondContact O-N 2.8Å; I25-E29 PolarHBondContact O-N 3.32Å |
| 26 | G | 37.8 | Very low | 38.4 | Very low | 51 Ų | 51 | 116 Ų | 116 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.3 | -12.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C24 | C24-G26 VanDerWaalsContact C-N 3.28Å; C24-G26 PolarHBondContact O-N 3.37Å |
| 27 | Q | 39.6 | Very low | 38.3 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 69% | 0.692 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -101.2 | -20.2 | 172.9 | -85 | -171.6 | -29.8 | 0 | 0 | 113.8 | C24 I25 | C24-Q27 PolarHBondContact O-N 3.26Å; I25-Q27 PolarHBondContact O-N 3.31Å |
| 28 | L | 35.2 | Very low | 38.5 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.3 | -30.4 | 177.5 | -99.9 | 114.5 | 0 | 0 | 0 | 112.9 | C24 I25 C30 R31 | C24-L28 PolarHBondContact O-N 2.93Å; C24-L28 VanDerWaalsContact O-N 3.09Å; I25-L28 PolarHBondContact O-N 2.8Å; L28-C30 PolarHBondContact O-N 3.29Å; L28-R31 PolarHBondContact O-N 3.46Å; L28-R31 VanDerWaalsContact O-N 3.16Å |
| 29 | E | 35.4 | Very low | 37.9 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.4 | -16.1 | 175 | -75.1 | -175.8 | 157.2 | 0 | 0 | 113.5 | I25 | I25-E29 PolarHBondContact O-N 3.32Å |
| 30 | C | 30.5 | Very low | 37.5 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 58% | 0.581 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.9 | -13.7 | 170.2 | -79.1 | 0 | 0 | 0 | 0 | 114.3 | L28 | L28-C30 PolarHBondContact O-N 3.29Å |
| 31 | R | 34.2 | Very low | 37.5 | Very low | 205 Ų | 205 | 136.8 Ų | 136.8 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -88.6 | -18.6 | -178.3 | -148.4 | 175.7 | -176.6 | 171.1 | -0 | 113.5 | L28 | L28-R31 PolarHBondContact O-N 3.46Å; L28-R31 VanDerWaalsContact O-N 3.16Å |
| 32 | Q | 38.4 | Very low | 37.1 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 77% | 0.771 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -85.3 | -25.3 | 175.4 | -88.2 | 175.1 | -12.8 | 0 | 0 | 113.8 | ||
| 33 | Q | 38.5 | Very low | 36.5 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -17.8 | 175.3 | -80.8 | 178.5 | -17.1 | 0 | 0 | 114.1 | ||
| 34 | H | 36 | Very low | 36.2 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -6.8 | 176.8 | -104 | -75.1 | 0 | 0 | 0 | 114.9 | ||
| 35 | H | 38.6 | Very low | 36 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -98.4 | -5.4 | 177.1 | -112 | -64.7 | 0 | 0 | 0 | 114.9 | ||
| 36 | N | 38.5 | Very low | 35.4 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -110.2 | 21.3 | 179.6 | -113.7 | 5.8 | 0 | 0 | 0 | 114.5 | ||
| 37 | R | 37 | Very low | 34.9 | Very low | 228 Ų | 228 | 155.8 Ų | 155.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -117.4 | 53.1 | 172.6 | -140.7 | 178.3 | -165.2 | 177.3 | 3.7 | 110.9 | ||
| 38 | N | 40.7 | Very low | 34.4 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -156.4 | 76.6 | 163 | -105.8 | -2.5 | 0 | 0 | 0 | 108.8 | ||||
| 39 | N | 35.3 | Very low | 34 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -170.9 | 75.1 | 148.4 | -96.9 | -14 | 0 | 0 | 0 | 108.2 | ||||
| 40 | N | 35.8 | Very low | 33.6 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -113 | 105.5 | 152.6 | -120.8 | 4.2 | 0 | 0 | 0 | 106.4 | ||||
| 41 | N | 38 | Very low | 33.4 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -160.6 | 96.5 | 153.3 | -102.2 | -7.1 | 0 | 0 | 0 | 107.4 | ||||
| 42 | N | 33.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | 159.5 | 140.6 | 107.5 | -84.5 | -27.5 | 0 | 0 | 0 | 111.4 | |||||
| 43 | N | 31 | Very low | 32.7 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | 71.8 | 139.8 | 154.4 | -70.2 | -19.3 | 0 | 0 | 0 | 116.9 | ||||
| 44 | R | 32.2 | Very low | 32.1 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | cis | 170.9 | 142.9 | -12.5 | -117.4 | 177.1 | -172.4 | 176.1 | 2.3 | 101.9 | ||||
| 45 | R | 29.6 | Very low | 31.7 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | trans | 68.5 | 143.3 | 153.7 | -69.4 | 172.5 | 174.8 | 170.7 | -5 | 116.2 | ||||
| 46 | A | 28.7 | Very low | 31 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | cis | -166.7 | 153.2 | -1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 47 | D | 27.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | 52.7 | 107.1 | 141.5 | -55.3 | -14.9 | 0 | 0 | 0 | 118.7 | ||||
| 48 | S | 28.4 | Very low | 30 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | 76.7 | 119.4 | 69.2 | 74.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 49 | S | 27.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | 62.9 | 146.3 | 147.2 | 64 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 50 | S | 25.5 | Very low | 29.1 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | cis | -174.9 | 170.1 | 23.4 | 41.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 51 | S | 27.1 | Very low | 28.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 39.6 | 143.1 | 138.2 | 59.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 52 | E | 29.8 | Very low | 28.2 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | cis | 178.7 | 162.2 | 18.9 | -115.1 | 165.6 | 168.6 | 0 | 0 | 106.3 | ||||
| 53 | E | 27.8 | Very low | 27.9 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 49.8 | 145 | 148.7 | -59.1 | -177.4 | 157.5 | 0 | 0 | 120.7 | ||||
| 54 | G | 25.3 | Very low | 27.7 | Very low | 58 Ų | 58 | 129.9 Ų | 129.9 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | cis | 169.7 | 172 | 13.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 55 | H | 28.5 | Very low | 27.5 | Very low | 205 Ų | 205 | 131.5 Ų | 131.5 | 95% | 0.949 | 76% | 0.755 | S | S | * | * | trans | 61.1 | 142 | 162.7 | -56.9 | -68.5 | 0 | 0 | 0 | 118.7 | ||||
| 56 | G | 24.7 | Very low | 27.5 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | cis | 164.1 | 153.6 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 57 | N | 27.5 | Very low | 27.6 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | 69.9 | 116.5 | 154.2 | -76.5 | 6.9 | 0 | 0 | 0 | 121.2 | ||||
| 58 | T | 26.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | 63.2 | 134.3 | 99.4 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 59 | S | 29.5 | Very low | 27.8 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | cis | -174.9 | 173.9 | 42.7 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 60 | D | 27.8 | Very low | 27.8 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 67.9 | 141.9 | 153.9 | -47 | -41.1 | 0 | 0 | 0 | 119 | ||||
| 61 | G | 26.1 | Very low | 27.8 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | 145.6 | 130.2 | 8.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 62 | L | 27.5 | Very low | 27.7 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 69.8 | 123.1 | 157.3 | -57.6 | 166.4 | 0 | 0 | 0 | 119.6 | ||||
| 63 | D | 28 | Very low | 27.7 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | 175.3 | 156.1 | 86.6 | -102.8 | -32.8 | 0 | 0 | 0 | 114.7 | |||||
| 64 | N | 27.3 | Very low | 27.6 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 154.9 | -173.9 | -67.5 | -64.9 | 0 | 0 | 0 | 116.1 | ||||
| 65 | F | 27.8 | Very low | 27.8 | Very low | 222 Ų | 222 | 136.1 Ų | 136.1 | 97% | 0.974 | 79% | 0.785 | S | S | * | * | trans | -145.6 | 128.4 | 138.7 | -100.5 | -80.6 | 0 | 0 | 0 | 110.5 | ||||
| 66 | A | 29 | Very low | 27.6 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | -100.9 | 160.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 67 | D | 30.5 | Very low | 27.7 | Very low | 136 Ų | 136 | 136 Ų | 136 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 124 | 134.6 | 127.5 | -114.4 | 14.6 | 0 | 0 | 0 | 120.4 | |||||
| 68 | Q | 31 | Very low | 27.6 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | 101.5 | 97.4 | 143.5 | -71.9 | 161.9 | 32.2 | 0 | 0 | 122.4 | ||||
| 69 | D | 28.2 | Very low | 28 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | 46.1 | 128.2 | 113.1 | -75.9 | -19.6 | 0 | 0 | 0 | 122.5 | |||||
| 70 | A | 29.1 | Very low | 27.9 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | -176.6 | 139 | 103.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 71 | S | 25.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -103.6 | 153.6 | 176.1 | 51 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 72 | F | 24.9 | Very low | 27.9 | Very low | 208 Ų | 208 | 147.3 Ų | 147.3 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | trans | -152.5 | 145.4 | 155.5 | -157.1 | -101.1 | 0 | 0 | 0 | 112.5 | ||||
| 73 | V | 28.9 | Very low | 28 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -112.6 | 151.9 | -164.9 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 74 | G | 27.2 | Very low | 28 | Very low | 62 Ų | 62 | 154 Ų | 154 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | trans | 128.7 | 108.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 75 | H | 27.9 | Very low | 28.1 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | 62.1 | 109.4 | 133 | -68.4 | -66.6 | 0 | 0 | 0 | 125.1 | ||||
| 76 | G | 24.4 | Very low | 28.1 | Very low | 68 Ų | 68 | 156.3 Ų | 156.3 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | 48.3 | 122.6 | 108.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 77 | H | 27.2 | Very low | 28.2 | Very low | 201 Ų | 201 | 161.7 Ų | 161.7 | 93% | 0.931 | 83% | 0.826 | S | S | * | * | 175 | 132.7 | 121.3 | -104.9 | -64.1 | 0 | 0 | 0 | 113.9 | |||||
| 78 | Q | 25.3 | Very low | 28.1 | Very low | 174 Ų | 174 | 164.4 Ų | 164.4 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | trans | -75 | 170.8 | 153.3 | -87.5 | -171.6 | -4.6 | 0 | 0 | 110.1 | ||||
| 79 | P | 36.3 | Very low | 27.9 | Very low | 99 Ų | 99 | 160.6 Ų | 160.6 | 64% | 0.643 | 84% | 0.836 | S | S | * | * | cis | -159.2 | -175.4 | 37.7 | 44.3 | -20.8 | 0 | 0 | 0 | 120.5 | ||||
| 80 | R | 27.3 | Very low | 28 | Very low | 223 Ų | 223 | 157 Ų | 157 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | trans | 87.7 | 117 | 140.3 | -86.5 | 171.7 | -170.7 | -154.7 | 4.7 | 124.7 | ||||
| 81 | R | 25.8 | Very low | 27.8 | Very low | 249 Ų | 249 | 156.1 Ų | 156.1 | 94% | 0.94 | 84% | 0.838 | S | S | * | * | 43.3 | 134.9 | 121.8 | -82.3 | -177.4 | 174.2 | 176.1 | -0.5 | 123.1 | |||||
| 82 | G | 27 | Very low | 28 | Very low | 73 Ų | 73 | 154.6 Ų | 154.6 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | trans | 163.7 | 95.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 83 | Q | 29.5 | Very low | 28.2 | Very low | 203 Ų | 203 | 149 Ų | 149 | 95% | 0.949 | 84% | 0.841 | S | S | * | * | 69.8 | 123.5 | 100.2 | -82.5 | -168.2 | -0.4 | 0 | 0 | 119.6 | |||||
| 84 | R | 28.5 | Very low | 28.2 | Very low | 248 Ų | 248 | 147.2 Ų | 147.2 | 94% | 0.936 | 85% | 0.847 | S | S | * | * | trans | -31.7 | 151.8 | 165.4 | -77.3 | 169.1 | 158.3 | 176.1 | -4.6 | 118.4 | ||||
| 85 | K | 29.3 | Very low | 28.4 | Very low | 215 Ų | 215 | 150.8 Ų | 150.8 | 94% | 0.935 | 86% | 0.862 | S | S | * | * | trans | -152 | 137.2 | 131.5 | -110.5 | 175.4 | -174.2 | 178.4 | 0 | 113.2 | ||||
| 86 | K | 28.1 | Very low | 28.6 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | trans | -72.2 | 152.8 | 168.5 | -91.8 | 171.5 | 164.7 | 178.8 | 0 | 110.3 | ||||
| 87 | Q | 30 | Very low | 28.8 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | trans | -154.3 | 138.9 | 138.5 | -115.3 | 169.5 | 16.5 | 0 | 0 | 112.4 | ||||
| 88 | Q | 27.8 | Very low | 28.9 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 90% | 0.902 | 86% | 0.864 | S | S | * | * | trans | -95.3 | 163.1 | 174.6 | -76.7 | 169.1 | -27.2 | 0 | 0 | 110.1 | ||||
| 89 | G | 28.8 | Very low | 29.1 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 77% | 0.773 | 87% | 0.868 | S | S | * | * | trans | 153.6 | 106.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 90 | G | 28.3 | Very low | 29 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 88% | 0.876 | 88% | 0.877 | S | S | * | * | 79.4 | 105.8 | 79.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 91 | G | 26.8 | Very low | 29.3 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 89% | 0.887 | 88% | 0.884 | S | S | * | * | 111.8 | 130.6 | 61.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 92 | G | 29.3 | Very low | 29.8 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 87% | 0.874 | S | S | * | * | trans | 150.2 | 110.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 93 | G | 28 | Very low | 30.5 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 92% | 0.918 | 88% | 0.883 | S | S | * | * | trans | -84.5 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 94 | G | 30.2 | Very low | 30.7 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 85% | 0.845 | 87% | 0.872 | S | S | * | * | trans | 173 | 107.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 95 | S | 30.6 | Very low | 31.3 | Very low | 136 Ų | 136 | 112.3 Ų | 112.3 | 95% | 0.951 | 87% | 0.872 | S | S | * | * | trans | -91.2 | 155.8 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 96 | G | 30.9 | Very low | 31.5 | Very low | 84 Ų | 84 | 105 Ų | 105 | 87% | 0.866 | 86% | 0.858 | S | S | * | * | trans | 128.5 | 131.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 97 | G | 29.1 | Very low | 32.1 | Very low | 80 Ų | 80 | 100.6 Ų | 100.6 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | cis | 140.9 | 129.5 | 14.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 98 | G | 29.8 | Very low | 32.4 | Very low | 86 Ų | 86 | 102.9 Ų | 102.9 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | 86.1 | 130.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 99 | G | 30.4 | Very low | 33.2 | Very low | 87 Ų | 87 | 101.4 Ų | 101.4 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | cis | 119.6 | 103 | 33.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 100 | G | 32.9 | Very low | 33.8 | Very low | 80 Ų | 80 | 102.9 Ų | 102.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -178.1 | 94.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G102 | G100-G102 PolarHBondContact O-N 3.26Š| ||
| 101 | N | 34.6 | Very low | 34.6 | Very low | 183 Ų | 183 | 108.6 Ų | 108.6 | 98% | 0.979 | 83% | 0.83 | S | S | * | * | trans | -63.2 | 120.6 | 170.3 | -109 | -15.2 | 0 | 0 | 0 | 110.2 | ||||
| 102 | G | 35.7 | Very low | 35.4 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -133.5 | 96.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | G100 G104 | G100-G102 PolarHBondContact O-N 3.26Å; G102-G104 PolarHBondContact O-N 2.75Å | ||
| 103 | G | 40.9 | Very low | 36.4 | Very low | 92 Ų | 92 | 112.9 Ų | 112.9 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | trans | -65.9 | 97.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | G | 35.3 | Very low | 37.7 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -108.3 | 108.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | G102 G106 | G102-G104 PolarHBondContact O-N 2.75Å; G104-G106 PolarHBondContact O-N 2.96Å | ||
| 105 | G | 39.8 | Very low | 39.4 | Very low | 91 Ų | 91 | 113.1 Ų | 113.1 | 94% | 0.938 | 77% | 0.767 | S | S | * | * | trans | -64.5 | 71.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S107 | G105-S107 PolarHBondContact O-N 2.85Š| ||
| 106 | G | 33.7 | Very low | 41.9 | Very low | 62 Ų | 62 | 106.9 Ų | 106.9 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -77.9 | 110.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | G104 R108 | G104-G106 PolarHBondContact O-N 2.96Å; G106-R108 PolarHBondContact O-N 2.9Å | ||
| 107 | S | 40.9 | Very low | 44.8 | Very low | 101 Ų | 101 | 103 Ų | 103 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -40.1 | 117.1 | 166.6 | -155 | 0 | 0 | 0 | 0 | 108.9 | G105 H109 | G105-S107 PolarHBondContact O-N 2.85Å; S107-H109 PolarHBondContact O-N 2.82Å | ||
| 108 | R | 37.5 | Very low | 47.9 | Very low | 246 Ų | 246 | 99.3 Ų | 99.3 | 93% | 0.928 | 65% | 0.645 | S | S | * | * | trans | -63.7 | 80.1 | 171.7 | -90.7 | 176.4 | 165.5 | 157.4 | -4.4 | 107.2 | G106 N110 | G106-R108 PolarHBondContact O-N 2.9Å; R108-N110 PolarHBondContact O-N 3.34Å; R108-N110 VanDerWaalsContact O-N 3.09Å | ||
| 109 | H | 43.1 | Very low | 50.9 | Low | 163 Ų | 163 | 95.6 Ų | 95.6 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | trans | -55.4 | 120 | 158.7 | -85.7 | -67.5 | 0 | 0 | 0 | 106.3 | S107 R111 | S107-H109 PolarHBondContact O-N 2.82Å; H109-R111 PolarHBondContact O-N 3.1Å | ||
| 110 | N | 41.2 | Very low | 53.6 | Low | 106 Ų | 106 | 91.8 Ų | 91.8 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | trans | -51.3 | 95.2 | -174.9 | -157.9 | 4.2 | 0 | 0 | 0 | 109.7 | R108 N112 E113 | R108-N110 PolarHBondContact O-N 3.34Å; R108-N110 VanDerWaalsContact O-N 3.09Å; N110-N112 PolarHBondContact O-N 3.04Å; N110-E113 PolarHBondContact O-N 2.9Å | ||
| 111 | R | 45.4 | Very low | 56.1 | Low | 205 Ų | 205 | 89.4 Ų | 89.4 | 77% | 0.774 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 4.8 | -178.3 | -86.6 | -176.3 | 177.9 | -177.7 | 1.3 | 114.4 | H109 | H109-R111 PolarHBondContact O-N 3.1Š|
| 112 | N | 44.8 | Very low | 58.1 | Low | 122 Ų | 122 | 81.6 Ų | 81.6 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -19.2 | -176 | -79.2 | -20.1 | 0 | 0 | 0 | 114.3 | N110 S115 | N110-N112 PolarHBondContact O-N 3.04Å; N112-S115 PolarHBondContact O-OG 3.29Å |
| 113 | E | 49.6 | Very low | 59.8 | Low | 135 Ų | 135 | 82.5 Ų | 82.5 | 63% | 0.631 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -19.9 | -171.6 | -76.9 | -179.1 | 157.4 | 0 | 0 | 115.2 | N110 | N110-E113 PolarHBondContact O-N 2.9Š|
| 114 | E | 55 | Low | 60.9 | Low | 148 Ų | 148 | 85.4 Ų | 85.4 | 69% | 0.692 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 9.2 | 180 | -73.7 | -167.6 | 137.1 | 0 | 0 | 115.1 | ||
| 115 | S | 66.9 | Low | 62.2 | Low | 29 Ų | 29 | 82.8 Ų | 82.8 | 20% | 0.203 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -92.4 | -4.1 | -170.2 | 70.4 | 0 | 0 | 0 | 0 | 115.3 | N112 | N112-S115 PolarHBondContact O-OG 3.29Š|
| 116 | G | 82.1 | Confident | 63.5 | Low | 5 Ų | 5 | 79.2 Ų | 79.2 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -101 | 161.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S148 | G116-S148 WeakPolarHBondContact CA-OG 3.34Š|
| 117 | I | 92.4 | Very high | 64.8 | Low | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | trans | -71.5 | 138.7 | 170.3 | 178 | -178.8 | 0 | 0 | 0 | 110.2 | I145 N147 S148 K177 Y183 I211 I240 L248 | I117-I145 HydrophobicContact CG2-CG2 4.14Å; I117-N147 PolarHBondContact O-N 3.42Å; I117-S148 PolarHBondContact N-OG 3.37Å; I117-S148 PolarHBondContact O-N 3.47Å; I117-K177 VanDerWaalsContact CA-O 3.31Å; I117-K177 WeakPolarHBondContact CA-O 3.44Å; I117-Y183 HydrophobicContact CB-CD2 3.72Å; I117-Y183 HydrophobicContact CB-CE2 3.72Å; I117-Y183 HydrophobicContact CB-CG 4.28Å; I117-Y183 HydrophobicContact CD1-CG 4.49Å; I117-Y183 HydrophobicContact CG2-CD1 4.48Å; I117-Y183 HydrophobicContact CG2-CD2 4.14Å; I117-Y183 HydrophobicContact CG2-CE1 4.24Å; I117-Y183 HydrophobicContact CG2-CE2 3.86Å; I117-Y183 HydrophobicContact CG2-CG 4.43Å; I117-I211 HydrophobicContact CD1-CD1 3.33Å; I117-I211 HydrophobicContact CG1-CD1 4.39Å; I117-I240 HydrophobicContact CD1-CD1 3.63Å; I117-I240 HydrophobicContact CD1-CG2 3.88Å; I117-L248 HydrophobicContact CG2-CD2 3.84Å | ||
| 118 | S | 93.6 | Very high | 65.7 | Low | 4 Ų | 4 | 80.8 Ų | 80.8 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.5 | 169.6 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | I145 N147 W176 K177 | S118-I145 CarbonylContact C-O 3.49Å; S118-I145 WeakPolarHBondContact CA-O 3.23Å; S118-N147 PolarHBondContact OG-N 2.82Å; S118-W176 CarbonylContact O-C 3.59Å; S118-W176 WeakPolarHBondContact O-CA 3.2Å; S118-K177 PolarHBondContact N-O 2.81Å; S118-K177 PolarHBondContact O-N 2.84Å |
| 119 | L | 92.1 | Very high | 66.8 | Low | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125.9 | 178.2 | 172.2 | 67.4 | 0 | 0 | 0 | 108.3 | A144 I145 F174 T175 W176 F218 L238 | L119-A144 HydrophobicContact CD2-CB 4.12Å; L119-A144 HydrophobicContact CG-CB 4.17Å; L119-A144 PolarHBondContact O-N 3.36Å; L119-I145 HydrophobicContact CB-CB 4.05Å; L119-I145 HydrophobicContact CB-CD1 4.34Å; L119-I145 HydrophobicContact CB-CG1 4.18Å; L119-I145 HydrophobicContact CD2-CD1 4.28Å; L119-I145 HydrophobicContact CD2-CG1 4.44Å; L119-I145 PolarHBondContact N-O 3.49Å; L119-I145 PolarHBondContact O-N 2.71Å; L119-F174 HydrophobicContact CD1-CB 4.14Å; L119-F174 HydrophobicContact CD1-CD1 4.46Å; L119-T175 WeakPolarHBondContact CA-O 3.43Å; L119-W176 HydrophobicContact CB-CB 4.48Å; L119-W176 HydrophobicContact CD1-CB 3.88Å; L119-F218 HydrophobicContact CD1-CE1 3.87Å; L119-F218 HydrophobicContact CD1-CZ 4.11Å; L119-L238 HydrophobicContact CD2-CD2 3.77Å |
| 120 | W | 89.1 | Confident | 67.5 | Low | 6 Ų | 6 | 63.7 Ų | 63.7 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 164.3 | -178.6 | 63.4 | 102.9 | 0 | 0 | 0 | 111.6 | L142 Y143 T175 K177 Q215 | W120-L142 VanDerWaalsContact CA-O 3.24Å; W120-L142 WeakPolarHBondContact CA-O 3.5Å; W120-L142 WeakPolarHBondContact CB-O 3.46Å; W120-Y143 HydrophobicContact CB-CD1 3.65Å; W120-Y143 HydrophobicContact CB-CE1 3.94Å; W120-Y143 HydrophobicContact CB-CG 4.08Å; W120-Y143 HydrophobicContact CD2-CD1 4.26Å; W120-Y143 AromaticContact CD2-CE1 3.76Å; W120-Y143 HydrophobicContact CD2-CE1 3.76Å; W120-Y143 HydrophobicContact CE3-CD1 4.03Å; W120-Y143 AromaticContact CE3-CE1 3.59Å; W120-Y143 HydrophobicContact CE3-CE1 3.59Å; W120-Y143 HydrophobicContact CG-CD1 4.16Å; W120-Y143 AromaticContact CG-CE1 3.94Å; W120-Y143 HydrophobicContact CG-CE1 3.94Å; W120-Y143 HydrophobicContact CZ3-CE1 4.34Å; W120-T175 HydrophobicContact CD2-CG2 4.26Å; W120-T175 HydrophobicContact CH2-CG2 3.72Å; W120-T175 HydrophobicContact CZ2-CG2 3.24Å; W120-T175 HydrophobicContact CZ3-CG2 4.38Å; W120-T175 PolarHBondContact N-O 3.25Å; W120-T175 PolarHBondContact O-N 3.27Å; W120-K177 HydrophobicContact CH2-CD 4.33Å; W120-K177 HydrophobicContact CH2-CG 4.24Å; W120-K177 HydrophobicContact CZ3-CG 4.17Å; W120-Q215 HydrophobicContact CH2-CG 4.05Å; W120-Q215 HydrophobicContact CZ2-CG 4.03Å |
| 121 | I | 84.2 | Confident | 68.2 | Low | 30 Ų | 30 | 61 Ų | 61 | 15% | 0.154 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 137 | 173.5 | -58.3 | -175.1 | 0 | 0 | 0 | 109.3 | Q125 L126 L142 F174 | I121-Q125 HydrophobicContact CG2-CB 4.11Å; I121-Q125 HydrophobicContact CG2-CG 4.23Å; I121-L126 HydrophobicContact CG2-CB 4.33Å; I121-L142 HydrophobicContact CD1-CD2 3.77Å; I121-L142 HydrophobicContact CG1-CD2 4.48Å; I121-L142 PolarHBondContact N-O 2.92Å; I121-L142 VanDerWaalsContact N-O 3.12Å; I121-F174 HydrophobicContact CG1-CD1 4.25Å; I121-F174 HydrophobicContact CG1-CE1 3.89Å |
| 122 | N | 77.6 | Confident | 68.5 | Low | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | trans | -56.4 | 139.7 | 178.3 | 179.2 | -81.2 | 0 | 0 | 0 | 111.4 | Q124 Q125 L126 N173 N217 | N122-Q124 VanDerWaalsContact C-N 3.35Å; N122-Q124 PolarHBondContact O-N 2.94Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.37Å; N122-Q124 PolarHBondContact OD1-N 3.02Å; N122-Q125 HydrophobicContact CB-CB 4.16Å; N122-Q125 WeakPolarHBondContact O-CB 3.27Å; N122-Q125 PolarHBondContact O-N 2.96Å; N122-Q125 VanDerWaalsContact O-N 3.15Å; N122-Q125 PolarHBondContact OD1-N 2.99Å; N122-L126 WeakPolarHBondContact O-CB 3.5Å; N122-L126 PolarHBondContact O-N 3.13Å; N122-N173 HydrophobicContact CB-CB 3.59Å; N122-N173 VanDerWaalsContact CB-O 3.31Å; N122-N173 WeakPolarHBondContact CB-O 2.94Å; N122-N173 PolarHBondContact N-O 3.47Å; N122-N217 PolarHBondContact ND2-ND2 2.79Å | ||
| 123 | E | 69.7 | Low | 68.7 | Low | 90 Ų | 90 | 48.4 Ų | 48.4 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -37.2 | -173.9 | -169.3 | -176.4 | 147.9 | 0 | 0 | 113.7 | L126 K127 | E123-L126 PolarHBondContact O-N 2.71Å; E123-K127 HydrophobicContact CG-CD 4.43Å; E123-K127 WeakPolarHBondContact O-CB 3.37Å; E123-K127 VanDerWaalsContact O-CG 3.28Å; E123-K127 WeakPolarHBondContact O-CG 3.46Å; E123-K127 PolarHBondContact O-N 2.95Å; E123-K127 WeakPolarHBondContact OE1-CE 3.12Å; E123-K127 IonicContact OE1-NZ 3.67Å; E123-K127 PolarHBondContact OE1-NZ 3.33Å |
| 124 | Q | 65.9 | Low | 68.9 | Low | 153 Ų | 153 | 46.6 Ų | 46.6 | 72% | 0.715 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -70.5 | -40.1 | 176.7 | -66.8 | 175.3 | -27.9 | 0 | 0 | 111.1 | N122 L126 K127 M128 | N122-Q124 VanDerWaalsContact C-N 3.35Å; N122-Q124 PolarHBondContact O-N 2.94Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.37Å; N122-Q124 PolarHBondContact OD1-N 3.02Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; Q124-K127 PolarHBondContact O-N 2.84Å; Q124-M128 PolarHBondContact O-N 3Å |
| 125 | Q | 62 | Low | 68.4 | Low | 14 Ų | 14 | 45.3 Ų | 45.3 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 175 | -167.5 | 69.2 | 53.4 | 0 | 0 | 111.1 | I121 N122 M128 L129 V172 N173 | I121-Q125 HydrophobicContact CG2-CB 4.11Å; I121-Q125 HydrophobicContact CG2-CG 4.23Å; N122-Q125 HydrophobicContact CB-CB 4.16Å; N122-Q125 WeakPolarHBondContact O-CB 3.27Å; N122-Q125 PolarHBondContact O-N 2.96Å; N122-Q125 VanDerWaalsContact O-N 3.15Å; N122-Q125 PolarHBondContact OD1-N 2.99Å; Q125-M128 PolarHBondContact O-N 2.67Å; Q125-L129 HydrophobicContact CG-CD1 4.05Å; Q125-L129 WeakPolarHBondContact O-CB 3Å; Q125-L129 VanDerWaalsContact O-CG 3.28Å; Q125-L129 WeakPolarHBondContact O-CG 3.17Å; Q125-L129 PolarHBondContact O-N 2.97Å; Q125-V172 HydrophobicContact CG-CG1 4.27Å; Q125-N173 HydrophobicContact CB-CB 4.38Å |
| 126 | L | 65.9 | Low | 67.5 | Low | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 176.5 | -172.3 | 63.7 | 0 | 0 | 0 | 110.1 | I121 N122 E123 Q124 M128 L129 T130 Y138 E140 L142 | I121-L126 HydrophobicContact CG2-CB 4.33Å; N122-L126 WeakPolarHBondContact O-CB 3.5Å; N122-L126 PolarHBondContact O-N 3.13Å; E123-L126 PolarHBondContact O-N 2.71Å; Q124-L126 VanDerWaalsContact C-N 3.33Å; L126-M128 VanDerWaalsContact C-N 3.34Å; L126-M128 PolarHBondContact O-N 3.39Å; L126-L129 CarbonylContact O-C 3.55Å; L126-L129 PolarHBondContact O-N 3.31Å; L126-T130 HydrophobicContact CD1-CG2 3.73Å; L126-T130 HydrophobicContact CG-CG2 3.93Å; L126-T130 VanDerWaalsContact O-CB 3.31Å; L126-T130 WeakPolarHBondContact O-CB 2.99Å; L126-T130 VanDerWaalsContact O-CG2 3.24Å; L126-T130 WeakPolarHBondContact O-CG2 3.34Å; L126-T130 PolarHBondContact O-N 3.5Å; L126-T130 PolarHBondContact O-OG1 3.39Å; L126-Y138 HydrophobicContact CD2-CD1 4.2Å; L126-Y138 HydrophobicContact CD2-CE1 4.41Å; L126-E140 WeakPolarHBondContact CD2-O 3.38Å; L126-L142 HydrophobicContact CD1-CB 4.22Å; L126-L142 HydrophobicContact CD2-CB 4.17Å |
| 127 | K | 62.2 | Low | 66 | Low | 105 Ų | 105 | 55.5 Ų | 55.5 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 175.2 | -77.3 | 170.7 | 179.8 | 169.2 | 0 | 112.6 | E123 Q124 T130 A131 | E123-K127 HydrophobicContact CG-CD 4.43Å; E123-K127 WeakPolarHBondContact O-CB 3.37Å; E123-K127 VanDerWaalsContact O-CG 3.28Å; E123-K127 WeakPolarHBondContact O-CG 3.46Å; E123-K127 PolarHBondContact O-N 2.95Å; E123-K127 WeakPolarHBondContact OE1-CE 3.12Å; E123-K127 IonicContact OE1-NZ 3.67Å; E123-K127 PolarHBondContact OE1-NZ 3.33Å; Q124-K127 PolarHBondContact O-N 2.84Å; K127-T130 WeakPolarHBondContact CA-OG1 3.08Å; K127-T130 PolarHBondContact O-OG1 3.22Å; K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 2.86Å |
| 128 | M | 60.4 | Low | 64.1 | Low | 92 Ų | 92 | 60 Ų | 60 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 175 | -178.6 | -172.2 | 175.3 | 0 | 0 | 111.4 | Q124 Q125 L126 L132 V169 | Q124-M128 PolarHBondContact O-N 3Å; Q125-M128 PolarHBondContact O-N 2.67Å; L126-M128 VanDerWaalsContact C-N 3.34Å; L126-M128 PolarHBondContact O-N 3.39Å; M128-L132 PolarHBondContact O-N 3.45Å; M128-V169 HydrophobicContact CE-CG2 4.42Å |
| 129 | L | 60.1 | Low | 62 | Low | 37 Ų | 37 | 65.8 Ų | 65.8 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.7 | -32.8 | 179.5 | -70.5 | 172.2 | 0 | 0 | 0 | 112.2 | Q125 L126 Y133 V169 | Q125-L129 HydrophobicContact CG-CD1 4.05Å; Q125-L129 WeakPolarHBondContact O-CB 3Å; Q125-L129 VanDerWaalsContact O-CG 3.28Å; Q125-L129 WeakPolarHBondContact O-CG 3.17Å; Q125-L129 PolarHBondContact O-N 2.97Å; L126-L129 CarbonylContact O-C 3.55Å; L126-L129 PolarHBondContact O-N 3.31Å; L129-Y133 WeakPolarHBondContact O-CD2 3Å; L129-V169 HydrophobicContact CD2-CG2 4.12Å |
| 130 | T | 58 | Low | 60.8 | Low | 13 Ų | 13 | 71.2 Ų | 71.2 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -83.8 | -29.2 | 179.1 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | L126 K127 L132 Y133 F134 Y138 | L126-T130 HydrophobicContact CD1-CG2 3.73Å; L126-T130 HydrophobicContact CG-CG2 3.93Å; L126-T130 VanDerWaalsContact O-CB 3.31Å; L126-T130 WeakPolarHBondContact O-CB 2.99Å; L126-T130 VanDerWaalsContact O-CG2 3.24Å; L126-T130 WeakPolarHBondContact O-CG2 3.34Å; L126-T130 PolarHBondContact O-N 3.5Å; L126-T130 PolarHBondContact O-OG1 3.39Å; K127-T130 WeakPolarHBondContact CA-OG1 3.08Å; K127-T130 PolarHBondContact O-OG1 3.22Å; T130-L132 PolarHBondContact O-N 3.09Å; T130-Y133 CarbonylContact O-C 3.54Å; T130-Y133 PolarHBondContact O-N 3.04Å; T130-F134 HydrophobicContact CG2-CD2 4.17Å; T130-F134 CarbonylContact O-C 3.4Å; T130-F134 VanDerWaalsContact O-CA 3.32Å; T130-F134 WeakPolarHBondContact O-CA 3.47Å; T130-F134 WeakPolarHBondContact O-CB 3.26Å; T130-F134 PolarHBondContact O-N 3.19Å; T130-Y138 HydrophobicContact CG2-CD1 4.37Å; T130-Y138 HydrophobicContact CG2-CG 4.46Å |
| 131 | A | 54.4 | Low | 59.9 | Low | 50 Ų | 50 | 75.9 Ų | 75.9 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -29.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K127 Y133 V307 | K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 2.86Å; A131-Y133 VanDerWaalsContact C-N 3.33Å; A131-V307 WeakPolarHBondContact O-CG1 3.23Å |
| 132 | L | 52.5 | Low | 59.5 | Low | 33 Ų | 33 | 78.2 Ų | 78.2 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.8 | 173.3 | -73.3 | 167.7 | 0 | 0 | 0 | 113.5 | M128 T130 V307 G308 | M128-L132 PolarHBondContact O-N 3.45Å; T130-L132 PolarHBondContact O-N 3.09Å; L132-V307 HydrophobicContact CD2-CG1 3.9Å; L132-V307 HydrophobicContact CG-CG1 4.47Å; L132-G308 VanDerWaalsContact CD2-N 3.26Å |
| 133 | Y | 48.9 | Very low | 59.8 | Low | 28 Ų | 28 | 80 Ų | 80 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -17.7 | -168.9 | -67.5 | -119.7 | 0 | 0 | 0 | 113.3 | L129 T130 A131 L163 F318 F320 | L129-Y133 WeakPolarHBondContact O-CD2 3Å; T130-Y133 CarbonylContact O-C 3.54Å; T130-Y133 PolarHBondContact O-N 3.04Å; A131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-L163 HydrophobicContact CE1-CD2 4.15Å; Y133-F318 AromaticContact CD1-CE1 3.63Å; Y133-F318 HydrophobicContact CD1-CE1 3.63Å; Y133-F318 AromaticContact CD1-CZ 3.97Å; Y133-F318 HydrophobicContact CD1-CZ 3.97Å; Y133-F318 AromaticContact CD2-CE1 3.89Å; Y133-F318 HydrophobicContact CD2-CE1 3.89Å; Y133-F318 AromaticContact CE1-CE1 3.31Å; Y133-F318 HydrophobicContact CE1-CE1 3.31Å; Y133-F318 HydrophobicContact CE1-CE2 4.41Å; Y133-F318 AromaticContact CE1-CZ 3.17Å; Y133-F318 HydrophobicContact CE1-CZ 3.17Å; Y133-F318 HydrophobicContact CE2-CD1 4.45Å; Y133-F318 AromaticContact CE2-CE1 3.63Å; Y133-F318 HydrophobicContact CE2-CE1 3.63Å; Y133-F318 AromaticContact CE2-CZ 3.9Å; Y133-F318 HydrophobicContact CE2-CZ 3.9Å; Y133-F318 AromaticContact CG-CE1 3.92Å; Y133-F318 HydrophobicContact CG-CE1 3.92Å; Y133-F318 AromaticContact CZ-CE1 3.31Å; Y133-F318 AromaticContact CZ-CZ 3.13Å; Y133-F318 WeakPolarHBondContact OH-CZ 2.99Å; Y133-F320 HydrophobicContact CD1-CB 3.52Å; Y133-F320 AromaticContact CD1-CD1 3.68Å; Y133-F320 HydrophobicContact CD1-CD1 3.68Å; Y133-F320 AromaticContact CD1-CD2 3.65Å; Y133-F320 HydrophobicContact CD1-CD2 3.65Å; Y133-F320 HydrophobicContact CD1-CE1 4.27Å; Y133-F320 HydrophobicContact CD1-CE2 4.25Å; Y133-F320 AromaticContact CD1-CG 3.33Å; Y133-F320 HydrophobicContact CD1-CG 3.33Å; Y133-F320 HydrophobicContact CE1-CB 4.09Å; Y133-F320 AromaticContact CE1-CD2 3.86Å; Y133-F320 HydrophobicContact CE1-CD2 3.86Å; Y133-F320 HydrophobicContact CE1-CE2 4.46Å; Y133-F320 AromaticContact CE1-CG 3.97Å; Y133-F320 HydrophobicContact CE1-CG 3.97Å; Y133-F320 HydrophobicContact CG-CB 4.23Å; Y133-F320 HydrophobicContact CG-CD1 4.39Å; Y133-F320 HydrophobicContact CG-CG 4.29Å |
| 134 | F | 53.1 | Low | 60.5 | Low | 98 Ų | 98 | 76.8 Ų | 76.8 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | trans | -147.1 | 87.3 | -171.1 | -56.7 | -77.4 | 0 | 0 | 0 | 110.1 | T130 Q136 G137 F320 | T130-F134 HydrophobicContact CG2-CD2 4.17Å; T130-F134 CarbonylContact O-C 3.4Å; T130-F134 VanDerWaalsContact O-CA 3.32Å; T130-F134 WeakPolarHBondContact O-CA 3.47Å; T130-F134 WeakPolarHBondContact O-CB 3.26Å; T130-F134 PolarHBondContact O-N 3.19Å; F134-Q136 PolarHBondContact O-N 2.83Å; F134-Q136 VanDerWaalsContact O-N 3.11Å; F134-G137 PolarHBondContact O-N 2.84Å; F134-F320 HydrophobicContact CE1-CE1 4.45Å; F134-F320 AromaticContact CZ-CE1 3.99Å; F134-F320 HydrophobicContact CZ-CE1 3.99Å | ||
| 135 | P | 46 | Very low | 61.7 | Low | 121 Ų | 121 | 69.5 Ų | 69.5 | 79% | 0.786 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.4 | -176.7 | 22.9 | -31.9 | 0 | 0 | 0 | 114.1 | G137 | P135-G137 VanDerWaalsContact C-N 3.32Š|
| 136 | Q | 48.3 | Very low | 63 | Low | 189 Ų | 189 | 72.7 Ų | 72.7 | 88% | 0.883 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.3 | 176.2 | -59.5 | -71.4 | -4.1 | 0 | 0 | 113.5 | F134 | F134-Q136 PolarHBondContact O-N 2.83Å; F134-Q136 VanDerWaalsContact O-N 3.11Å |
| 137 | G | 48.8 | Very low | 64 | Low | 58 Ų | 58 | 75.1 Ų | 75.1 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | trans | 79.6 | 143.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F134 P135 | F134-G137 PolarHBondContact O-N 2.84Å; P135-G137 VanDerWaalsContact C-N 3.32Å | ||
| 138 | Y | 52.9 | Low | 65.3 | Low | 97 Ų | 97 | 71.3 Ų | 71.3 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | trans | -124.3 | 122.6 | 172.3 | -173.4 | -97.4 | 0 | 0 | 0 | 108.1 | L126 T130 E140 | L126-Y138 HydrophobicContact CD2-CD1 4.2Å; L126-Y138 HydrophobicContact CD2-CE1 4.41Å; T130-Y138 HydrophobicContact CG2-CD1 4.37Å; T130-Y138 HydrophobicContact CG2-CG 4.46Å; Y138-E140 WeakPolarHBondContact CD1-O 3.44Å; Y138-E140 HydrophobicContact CE1-CB 3.91Å; Y138-E140 WeakPolarHBondContact CE1-O 3.22Å | ||
| 139 | S | 50.2 | Low | 66.6 | Low | 125 Ų | 125 | 76.6 Ų | 76.6 | 87% | 0.874 | 40% | 0.399 | S | S | * | . | trans | -110.9 | 3.4 | -174.3 | 82.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 140 | E | 66.1 | Low | 67.9 | Low | 121 Ų | 121 | 75.9 Ų | 75.9 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -90.6 | 139.6 | 179.1 | -160.8 | 168.6 | -168.5 | 0 | 0 | 111.3 | L126 Y138 L142 | L126-E140 WeakPolarHBondContact CD2-O 3.38Å; Y138-E140 WeakPolarHBondContact CD1-O 3.44Å; Y138-E140 HydrophobicContact CE1-CB 3.91Å; Y138-E140 WeakPolarHBondContact CE1-O 3.22Å; E140-L142 PolarHBondContact O-N 2.91Å |
| 141 | R | 71.4 | Confident | 69.1 | Low | 104 Ų | 104 | 76.6 Ų | 76.6 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | trans | -69.2 | 127.8 | 176.9 | -73.8 | 176.2 | 179.4 | 167.3 | 0.1 | 110.1 | Y143 | R141-Y143 HydrophobicContact CB-CD2 4.09Å; R141-Y143 HydrophobicContact CB-CE2 3.48Å; R141-Y143 VanDerWaalsContact CB-CE2 3.48Å; R141-Y143 VanDerWaalsContact CD-OH 3.27Å; R141-Y143 WeakPolarHBondContact CD-OH 3.46Å; R141-Y143 VanDerWaalsContact O-CD2 3.23Å; R141-Y143 WeakPolarHBondContact O-CD2 3.44Å; R141-Y143 PolarHBondContact O-N 2.92Å | ||
| 142 | L | 75.9 | Confident | 69.9 | Low | 80 Ų | 80 | 79.7 Ų | 79.7 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | trans | -83.8 | 99.7 | 176.1 | -168 | 72.7 | 0 | 0 | 0 | 111.2 | W120 I121 L126 E140 | W120-L142 VanDerWaalsContact CA-O 3.24Å; W120-L142 WeakPolarHBondContact CA-O 3.5Å; W120-L142 WeakPolarHBondContact CB-O 3.46Å; I121-L142 HydrophobicContact CD1-CD2 3.77Å; I121-L142 HydrophobicContact CG1-CD2 4.48Å; I121-L142 PolarHBondContact N-O 2.92Å; I121-L142 VanDerWaalsContact N-O 3.12Å; L126-L142 HydrophobicContact CD1-CB 4.22Å; L126-L142 HydrophobicContact CD2-CB 4.17Å; E140-L142 PolarHBondContact O-N 2.91Å | ||
| 143 | Y | 83.6 | Confident | 70.4 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.8 | -179.6 | -69.9 | -85.9 | 0 | 0 | 0 | 112.5 | W120 R141 H146 T151 | W120-Y143 HydrophobicContact CB-CD1 3.65Å; W120-Y143 HydrophobicContact CB-CE1 3.94Å; W120-Y143 HydrophobicContact CB-CG 4.08Å; W120-Y143 HydrophobicContact CD2-CD1 4.26Å; W120-Y143 AromaticContact CD2-CE1 3.76Å; W120-Y143 HydrophobicContact CD2-CE1 3.76Å; W120-Y143 HydrophobicContact CE3-CD1 4.03Å; W120-Y143 AromaticContact CE3-CE1 3.59Å; W120-Y143 HydrophobicContact CE3-CE1 3.59Å; W120-Y143 HydrophobicContact CG-CD1 4.16Å; W120-Y143 AromaticContact CG-CE1 3.94Å; W120-Y143 HydrophobicContact CG-CE1 3.94Å; W120-Y143 HydrophobicContact CZ3-CE1 4.34Å; R141-Y143 HydrophobicContact CB-CD2 4.09Å; R141-Y143 HydrophobicContact CB-CE2 3.48Å; R141-Y143 VanDerWaalsContact CB-CE2 3.48Å; R141-Y143 VanDerWaalsContact CD-OH 3.27Å; R141-Y143 WeakPolarHBondContact CD-OH 3.46Å; R141-Y143 VanDerWaalsContact O-CD2 3.23Å; R141-Y143 WeakPolarHBondContact O-CD2 3.44Å; R141-Y143 PolarHBondContact O-N 2.92Å; Y143-H146 HydrophobicContact CD1-CB 4.19Å; Y143-H146 AromaticContact CD1-CD2 3.71Å; Y143-H146 AromaticContact CE1-CD2 3.69Å; Y143-H146 HydrophobicContact CG-CB 4.06Å; Y143-H146 AromaticContact CG-CD2 3.95Å; Y143-H146 AromaticContact CZ-CD2 3.87Å; Y143-T151 VanDerWaalsContact O-CG2 3.23Å; Y143-T151 WeakPolarHBondContact O-CG2 3.31Å; Y143-T151 PolarHBondContact O-OG1 3.48Å |
| 144 | A | 84.8 | Confident | 70.8 | Confident | 21 Ų | 21 | 83.7 Ų | 83.7 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -38.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L119 T151 L154 | L119-A144 HydrophobicContact CD2-CB 4.12Å; L119-A144 HydrophobicContact CG-CB 4.17Å; L119-A144 PolarHBondContact O-N 3.36Å; A144-T151 PolarHBondContact O-N 3.19Å; A144-T151 VanDerWaalsContact O-N 3.09Å; A144-T151 PolarHBondContact O-OG1 3.02Å; A144-L154 HydrophobicContact CB-CD1 3.71Å; A144-L154 WeakPolarHBondContact O-CD1 3.39Å |
| 145 | I | 89.8 | Confident | 71 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.3 | 174.3 | -52.2 | 178.9 | 0 | 0 | 0 | 107.3 | I117 S118 L119 R149 V150 I240 L248 I253 | I117-I145 HydrophobicContact CG2-CG2 4.14Å; S118-I145 CarbonylContact C-O 3.49Å; S118-I145 WeakPolarHBondContact CA-O 3.23Å; L119-I145 HydrophobicContact CB-CB 4.05Å; L119-I145 HydrophobicContact CB-CD1 4.34Å; L119-I145 HydrophobicContact CB-CG1 4.18Å; L119-I145 HydrophobicContact CD2-CD1 4.28Å; L119-I145 HydrophobicContact CD2-CG1 4.44Å; L119-I145 PolarHBondContact N-O 3.49Å; L119-I145 PolarHBondContact O-N 2.71Å; I145-R149 CarbonylContact C-O 3.56Å; I145-R149 WeakPolarHBondContact CA-O 3.38Å; I145-R149 WeakPolarHBondContact CG2-O 3.32Å; I145-V150 HydrophobicContact CG1-CG2 4.25Å; I145-I240 HydrophobicContact CD1-CD1 3.31Å; I145-L248 HydrophobicContact CD1-CD2 4.35Å; I145-L248 HydrophobicContact CG2-CD2 4.26Å; I145-I253 HydrophobicContact CD1-CD1 3.91Å; I145-I253 HydrophobicContact CG1-CD1 4.04Å |
| 146 | H | 89.8 | Confident | 71.4 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.3 | 175.6 | -170.6 | -122.2 | 0 | 0 | 0 | 109.3 | Y143 S148 R149 | Y143-H146 HydrophobicContact CD1-CB 4.19Å; Y143-H146 AromaticContact CD1-CD2 3.71Å; Y143-H146 AromaticContact CE1-CD2 3.69Å; Y143-H146 HydrophobicContact CG-CB 4.06Å; Y143-H146 AromaticContact CG-CD2 3.95Å; Y143-H146 AromaticContact CZ-CD2 3.87Å; H146-S148 VanDerWaalsContact C-N 3.33Å; H146-S148 PolarHBondContact O-N 3.08Å; H146-R149 PolarHBondContact N-O 2.8Å; H146-R149 PolarHBondContact O-N 2.87Å |
| 147 | N | 87.5 | Confident | 71.6 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 35% | 0.353 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 48.3 | 177.3 | -63 | -20.1 | 0 | 0 | 0 | 113.4 | I117 S118 R149 | I117-N147 PolarHBondContact O-N 3.42Å; S118-N147 PolarHBondContact OG-N 2.82Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 2.03Å |
| 148 | S | 88.6 | Confident | 71.8 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 13.7 | -179.1 | -36.3 | 0 | 0 | 0 | 0 | 115.8 | G116 I117 H146 Y183 | G116-S148 WeakPolarHBondContact CA-OG 3.34Å; I117-S148 PolarHBondContact N-OG 3.37Å; I117-S148 PolarHBondContact O-N 3.47Å; H146-S148 VanDerWaalsContact C-N 3.33Å; H146-S148 PolarHBondContact O-N 3.08Å; S148-Y183 PolarHBondContact OG-OH 2.72Å |
| 149 | R | 88.9 | Confident | 71.7 | Confident | 203 Ų | 203 | 81.6 Ų | 81.6 | 77% | 0.766 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131 | 171.6 | -64.8 | -176.7 | 178.6 | -172.6 | -0.4 | 109.9 | I145 H146 N147 | I145-R149 CarbonylContact C-O 3.56Å; I145-R149 WeakPolarHBondContact CA-O 3.38Å; I145-R149 WeakPolarHBondContact CG2-O 3.32Å; H146-R149 PolarHBondContact N-O 2.8Å; H146-R149 PolarHBondContact O-N 2.87Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 2.03Å |
| 150 | V | 87.3 | Confident | 71.8 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 13% | 0.127 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 131.3 | 169.8 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | I145 L154 S249 T251 I253 | I145-V150 HydrophobicContact CG1-CG2 4.25Å; V150-L154 HydrophobicContact CG1-CD1 4.09Å; V150-S249 WeakPolarHBondContact CG2-O 2.87Å; V150-T251 HydrophobicContact CG2-CG2 4.18Å; V150-I253 HydrophobicContact CG1-CD1 4.26Å; V150-I253 HydrophobicContact CG1-CG1 4.44Å; V150-I253 HydrophobicContact CG2-CD1 4.21Å; V150-I253 HydrophobicContact CG2-CG1 4.45Å |
| 151 | T | 82.2 | Confident | 71.3 | Confident | 29 Ų | 29 | 77.3 Ų | 77.3 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | trans | -67 | 148.2 | -179 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | Y143 A144 D153 | Y143-T151 VanDerWaalsContact O-CG2 3.23Å; Y143-T151 WeakPolarHBondContact O-CG2 3.31Å; Y143-T151 PolarHBondContact O-OG1 3.48Å; A144-T151 PolarHBondContact O-N 3.19Å; A144-T151 VanDerWaalsContact O-N 3.09Å; A144-T151 PolarHBondContact O-OG1 3.02Å; T151-D153 VanDerWaalsContact C-N 3.26Å; T151-D153 PolarHBondContact O-N 2.82Å | ||
| 152 | N | 70.6 | Confident | 70.5 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 62% | 0.615 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -71.9 | -22.7 | -178.8 | -74.8 | -23.2 | 0 | 0 | 0 | 112.3 | L154 R155 | N152-L154 PolarHBondContact O-N 3.37Å; N152-R155 VanDerWaalsContact O-CB 3.26Å; N152-R155 WeakPolarHBondContact O-CB 3.44Å; N152-R155 PolarHBondContact O-N 3.24Å |
| 153 | D | 63.4 | Low | 70.1 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 60% | 0.604 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.9 | -30 | -179.6 | -49.5 | -48.7 | 0 | 0 | 0 | 111.9 | T151 R155 D156 Y160 | T151-D153 VanDerWaalsContact C-N 3.26Å; T151-D153 PolarHBondContact O-N 2.82Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-D156 PolarHBondContact O-N 2.94Å; D153-Y160 PolarHBondContact O-OH 2.81Å |
| 154 | L | 58.4 | Low | 69.6 | Low | 32 Ų | 32 | 76 Ų | 76 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -72.1 | -5.8 | 173.3 | -67.6 | 168.3 | 0 | 0 | 0 | 113.9 | A144 V150 N152 Y160 I253 L255 | A144-L154 HydrophobicContact CB-CD1 3.71Å; A144-L154 WeakPolarHBondContact O-CD1 3.39Å; V150-L154 HydrophobicContact CG1-CD1 4.09Å; N152-L154 PolarHBondContact O-N 3.37Å; L154-Y160 VanDerWaalsContact CD2-OH 3.22Å; L154-Y160 WeakPolarHBondContact CD2-OH 3.45Å; L154-I253 HydrophobicContact CD1-CG2 4.49Å; L154-L255 HydrophobicContact CD2-CD2 3.7Å |
| 155 | R | 56.5 | Low | 69.2 | Low | 165 Ų | 165 | 76.6 Ų | 76.6 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -95.6 | -18.8 | 178.1 | -62.8 | -179.5 | 161.7 | -165.5 | -7.5 | 112.8 | N152 D153 T157 | N152-R155 VanDerWaalsContact O-CB 3.26Å; N152-R155 WeakPolarHBondContact O-CB 3.44Å; N152-R155 PolarHBondContact O-N 3.24Å; D153-R155 PolarHBondContact O-N 2.9Å; R155-T157 PolarHBondContact O-N 2.91Å |
| 156 | D | 55.5 | Low | 68.4 | Low | 77 Ų | 77 | 76.9 Ų | 76.9 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | trans | -89.4 | 96.2 | 177.7 | -164.2 | -18.7 | 0 | 0 | 0 | 110.3 | D153 T158 Y160 | D153-D156 PolarHBondContact O-N 2.94Å; D156-T158 PolarHBondContact O-N 3.15Å; D156-T158 WeakPolarHBondContact OD1-CB 3.08Å; D156-T158 WeakPolarHBondContact OD1-CG2 3.47Å; D156-T158 PolarHBondContact OD1-N 2.84Å; D156-T158 VanDerWaalsContact OD1-N 3.14Å; D156-T158 PolarHBondContact OD1-OG1 3.35Å; D156-Y160 WeakPolarHBondContact O-CD2 3.2Å; D156-Y160 WeakPolarHBondContact O-CE2 3.42Å | ||
| 157 | T | 51.7 | Low | 67.6 | Low | 95 Ų | 95 | 73.1 Ų | 73.1 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.4 | -11.8 | -178.6 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | R155 | R155-T157 PolarHBondContact O-N 2.91Å |
| 158 | T | 53.6 | Low | 66.6 | Low | 78 Ų | 78 | 72.6 Ų | 72.6 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.7 | -35.1 | -174.1 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | D156 F162 | D156-T158 PolarHBondContact O-N 3.15Å; D156-T158 WeakPolarHBondContact OD1-CB 3.08Å; D156-T158 WeakPolarHBondContact OD1-CG2 3.47Å; D156-T158 PolarHBondContact OD1-N 2.84Å; D156-T158 VanDerWaalsContact OD1-N 3.14Å; D156-T158 PolarHBondContact OD1-OG1 3.35Å; T158-F162 VanDerWaalsContact O-CD2 3.25Å; T158-F162 WeakPolarHBondContact O-CD2 3.42Å; T158-F162 WeakPolarHBondContact O-CE2 3.41Å |
| 159 | L | 50.8 | Low | 65.8 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68 | -35 | 177.1 | -89.4 | 145.4 | 0 | 0 | 0 | 112.9 | N161 F162 | L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.02Å; L159-F162 PolarHBondContact O-N 2.82Å |
| 160 | Y | 52.6 | Low | 65 | Low | 56 Ų | 56 | 65.2 Ų | 65.2 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74.4 | -16.9 | -177.7 | -61.3 | -70.9 | 0 | 0 | 0 | 113.9 | D153 L154 D156 F162 L163 F257 | D153-Y160 PolarHBondContact O-OH 2.81Å; L154-Y160 VanDerWaalsContact CD2-OH 3.22Å; L154-Y160 WeakPolarHBondContact CD2-OH 3.45Å; D156-Y160 WeakPolarHBondContact O-CD2 3.2Å; D156-Y160 WeakPolarHBondContact O-CE2 3.42Å; Y160-F162 PolarHBondContact O-N 3.27Å; Y160-L163 HydrophobicContact CD1-CD1 4.43Å; Y160-F257 HydrophobicContact CD1-CE1 4.46Å |
| 161 | N | 54.1 | Low | 64.5 | Low | 99 Ų | 99 | 69.2 Ų | 69.2 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.7 | 177.4 | -78 | -18.2 | 0 | 0 | 0 | 113 | L159 K258 | L159-N161 VanDerWaalsContact C-N 3.29Å; L159-N161 PolarHBondContact O-N 3.02Å; N161-K258 PolarHBondContact O-NZ 2.94Å |
| 162 | F | 55.5 | Low | 64.4 | Low | 121 Ų | 121 | 68.6 Ų | 68.6 | 53% | 0.531 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -14.1 | -174.4 | -56.7 | -77.8 | 0 | 0 | 0 | 113.6 | T158 L159 Y160 | T158-F162 VanDerWaalsContact O-CD2 3.25Å; T158-F162 WeakPolarHBondContact O-CD2 3.42Å; T158-F162 WeakPolarHBondContact O-CE2 3.41Å; L159-F162 PolarHBondContact O-N 2.82Å; Y160-F162 PolarHBondContact O-N 3.27Å |
| 163 | L | 66.3 | Low | 65 | Low | 64 Ų | 64 | 64.5 Ų | 64.5 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | trans | -87.2 | 113.2 | -179.5 | -69.5 | 170.8 | 0 | 0 | 0 | 110.6 | Y133 Y160 F320 | Y133-L163 HydrophobicContact CE1-CD2 4.15Å; Y160-L163 HydrophobicContact CD1-CD1 4.43Å; L163-F320 HydrophobicContact CD2-CE2 4.03Å | ||
| 164 | V | 74.7 | Confident | 66.3 | Low | 30 Ų | 30 | 60.8 Ų | 60.8 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.5 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | P166 T231 K258 E260 | V164-P166 WeakPolarHBondContact O-CD 3.31Å; V164-T231 HydrophobicContact CG1-CG2 3.91Å; V164-T231 HydrophobicContact CG2-CG2 4.48Å; V164-K258 HydrophobicContact CB-CB 4.35Å; V164-K258 HydrophobicContact CG1-CB 4.22Å; V164-K258 HydrophobicContact CG2-CB 3.96Å; V164-K258 HydrophobicContact CG2-CD 4.14Å; V164-E260 HydrophobicContact CG1-CB 3.95Å |
| 165 | I | 76.6 | Confident | 67.9 | Low | 32 Ų | 32 | 59.3 Ų | 59.3 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 123.9 | 173.8 | -59.5 | 174.3 | 0 | 0 | 0 | 107.4 | V169 L222 F234 K258 K259 E260 | I165-V169 HydrophobicContact CG2-CB 3.74Å; I165-V169 HydrophobicContact CG2-CG1 3.91Å; I165-V169 HydrophobicContact CG2-CG2 4.49Å; I165-L222 HydrophobicContact CD1-CD1 3.72Å; I165-L222 HydrophobicContact CG2-CD1 4.05Å; I165-F234 HydrophobicContact CD1-CE1 4.06Å; I165-F234 HydrophobicContact CD1-CZ 3.84Å; I165-K258 PolarHBondContact N-O 2.81Å; I165-K259 HydrophobicContact CB-CD 3.78Å; I165-K259 HydrophobicContact CG2-CD 3.63Å; I165-K259 WeakPolarHBondContact O-CA 3.4Å; I165-K259 VanDerWaalsContact O-CD 3.32Å; I165-K259 WeakPolarHBondContact O-CD 2.93Å; I165-E260 PolarHBondContact O-N 2.93Å |
| 166 | P | 72.4 | Confident | 69.7 | Low | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | trans | -65.3 | 162.9 | -176.7 | -24.7 | 35.3 | 0 | 0 | 0 | 114.2 | V164 E168 V169 K259 | V164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-E168 WeakPolarHBondContact CB-OE2 3.04Å; P166-E168 PolarHBondContact O-N 2.85Å; P166-V169 PolarHBondContact O-N 3.02Å; P166-K259 VanDerWaalsContact O-CE 3.23Å; P166-K259 WeakPolarHBondContact O-CE 3.32Å; P166-K259 PolarHBondContact O-NZ 2.73Å | ||
| 167 | S | 72.9 | Confident | 71.6 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.4 | -177.9 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | V169 K259 E260 R264 T310 | S167-V169 VanDerWaalsContact C-N 3.35Å; S167-K259 PolarHBondContact O-NZ 3.38Å; S167-E260 VanDerWaalsContact CA-O 3.25Å; S167-E260 WeakPolarHBondContact CA-O 3.08Å; S167-R264 VanDerWaalsContact C-NH1 3.28Å; S167-R264 PolarHBondContact O-NH1 2.97Å; S167-R264 PolarHBondContact OG-NH1 3.31Å; S167-R264 PolarHBondContact OG-NH2 2.67Å; S167-T310 PolarHBondContact OG-OG1 2.91Å; S167-T310 VanDerWaalsContact OG-OG1 3.08Å |
| 168 | E | 66.5 | Low | 73.6 | Confident | 55 Ų | 55 | 47 Ų | 47 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -21.6 | -178.2 | -57.8 | 69.7 | -146.5 | 0 | 0 | 113.2 | P166 N170 R264 T310 | P166-E168 WeakPolarHBondContact CB-OE2 3.04Å; P166-E168 PolarHBondContact O-N 2.85Å; E168-N170 PolarHBondContact O-N 2.93Å; E168-R264 IonicContact OE1-CZ 3.67Å; E168-R264 IonicContact OE1-NH1 2.72Å; E168-R264 IonicContact OE1-NH2 4Å; E168-R264 PolarHBondContact OE1-NH2 3.07Å; E168-T310 VanDerWaalsContact CD-OG1 3.24Å; E168-T310 WeakPolarHBondContact OE1-CA 3.41Å; E168-T310 WeakPolarHBondContact OE1-CB 3.35Å; E168-T310 PolarHBondContact OE1-OG1 3.49Å; E168-T310 PolarHBondContact OE2-OG1 2.63Å; E168-T310 VanDerWaalsContact OE2-OG1 3.1Å |
| 169 | V | 72.3 | Confident | 75.3 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | trans | -90.6 | 94.2 | -173.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | M128 L129 I165 P166 S167 Y171 V172 K259 | M128-V169 HydrophobicContact CE-CG2 4.42Å; L129-V169 HydrophobicContact CD2-CG2 4.12Å; I165-V169 HydrophobicContact CG2-CB 3.74Å; I165-V169 HydrophobicContact CG2-CG1 3.91Å; I165-V169 HydrophobicContact CG2-CG2 4.49Å; P166-V169 PolarHBondContact O-N 3.02Å; S167-V169 VanDerWaalsContact C-N 3.35Å; V169-Y171 WeakPolarHBondContact CG1-O 3.47Å; V169-V172 HydrophobicContact CG1-CG2 4.26Å; V169-K259 WeakPolarHBondContact O-CE 3.36Å | ||
| 170 | N | 71.3 | Confident | 77 | Confident | 71 Ų | 71 | 47 Ų | 47 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | trans | -82.9 | -16.5 | -179 | -64.3 | -30.6 | 0 | 0 | 0 | 113.8 | E168 L222 | E168-N170 PolarHBondContact O-N 2.93Å; N170-L222 PolarHBondContact O-N 3.3Å | ||
| 171 | Y | 77 | Confident | 78.8 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 158 | 176.6 | 61.1 | -91.1 | 0 | 0 | 0 | 111.1 | V169 N173 I220 F221 | V169-Y171 WeakPolarHBondContact CG1-O 3.47Å; Y171-N173 WeakPolarHBondContact CD2-OD1 3Å; Y171-I220 CarbonylContact C-O 3.57Å; Y171-I220 WeakPolarHBondContact CA-O 3.43Å; Y171-I220 WeakPolarHBondContact CB-O 3.34Å; Y171-F221 HydrophobicContact CD1-CD1 4.42Å; Y171-F221 HydrophobicContact CD1-CE1 4.36Å; Y171-F221 HydrophobicContact CG-CD1 4.27Å; Y171-F221 HydrophobicContact CG-CE1 4.27Å |
| 172 | V | 80.8 | Confident | 80.6 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.9 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | Q125 V169 F174 S219 I220 L222 | Q125-V172 HydrophobicContact CG-CG1 4.27Å; V169-V172 HydrophobicContact CG1-CG2 4.26Å; V172-F174 HydrophobicContact CB-CE2 3.83Å; V172-F174 HydrophobicContact CB-CZ 4.36Å; V172-F174 HydrophobicContact CG1-CD2 4.2Å; V172-F174 HydrophobicContact CG1-CE1 4.46Å; V172-F174 HydrophobicContact CG1-CE2 3.54Å; V172-F174 HydrophobicContact CG1-CZ 3.7Å; V172-S219 WeakPolarHBondContact O-CA 3.44Å; V172-I220 PolarHBondContact N-O 3.47Å; V172-I220 PolarHBondContact O-N 2.82Å; V172-L222 HydrophobicContact CG2-CD1 4.33Å |
| 173 | N | 83 | Confident | 82.5 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 16% | 0.16 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.7 | 176.6 | -74 | -21.6 | 0 | 0 | 0 | 111.2 | N122 Q125 Y171 S219 | N122-N173 HydrophobicContact CB-CB 3.59Å; N122-N173 VanDerWaalsContact CB-O 3.31Å; N122-N173 WeakPolarHBondContact CB-O 2.94Å; N122-N173 PolarHBondContact N-O 3.47Å; Q125-N173 HydrophobicContact CB-CB 4.38Å; Y171-N173 WeakPolarHBondContact CD2-OD1 3Å; N173-S219 WeakPolarHBondContact OD1-CB 3.43Å; N173-S219 PolarHBondContact OD1-OG 2.94Å |
| 174 | F | 89.5 | Confident | 83.9 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149.8 | 171.6 | -67.7 | -85.7 | 0 | 0 | 0 | 110.3 | L119 I121 V172 N217 F218 I220 | L119-F174 HydrophobicContact CD1-CB 4.14Å; L119-F174 HydrophobicContact CD1-CD1 4.46Å; I121-F174 HydrophobicContact CG1-CD1 4.25Å; I121-F174 HydrophobicContact CG1-CE1 3.89Å; V172-F174 HydrophobicContact CB-CE2 3.83Å; V172-F174 HydrophobicContact CB-CZ 4.36Å; V172-F174 HydrophobicContact CG1-CD2 4.2Å; V172-F174 HydrophobicContact CG1-CE1 4.46Å; V172-F174 HydrophobicContact CG1-CE2 3.54Å; V172-F174 HydrophobicContact CG1-CZ 3.7Å; F174-N217 CarbonylContact O-C 3.58Å; F174-N217 VanDerWaalsContact O-CA 3.22Å; F174-N217 WeakPolarHBondContact O-CA 3.11Å; F174-F218 HydrophobicContact CB-CD1 4.09Å; F174-F218 HydrophobicContact CB-CD2 4.47Å; F174-F218 HydrophobicContact CB-CE1 3.54Å; F174-F218 HydrophobicContact CB-CE2 3.97Å; F174-F218 HydrophobicContact CB-CZ 3.48Å; F174-F218 VanDerWaalsContact CB-CZ 3.48Å; F174-F218 HydrophobicContact CD2-CE2 4.09Å; F174-F218 HydrophobicContact CD2-CZ 4.26Å; F174-F218 HydrophobicContact CG-CE2 4.3Å; F174-F218 HydrophobicContact CG-CZ 4.01Å; F174-F218 PolarHBondContact N-O 3.18Å; F174-F218 PolarHBondContact O-N 3.27Å; F174-I220 HydrophobicContact CD2-CD1 4.05Å; F174-I220 HydrophobicContact CD2-CG1 3.97Å; F174-I220 HydrophobicContact CE2-CB 4.44Å; F174-I220 HydrophobicContact CE2-CD1 3.63Å; F174-I220 HydrophobicContact CE2-CG1 3.86Å; F174-I220 HydrophobicContact CZ-CD1 4.45Å |
| 175 | T | 91.8 | Very high | 85 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.3 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 109 | L119 W120 Q215 K216 N217 | L119-T175 WeakPolarHBondContact CA-O 3.43Å; W120-T175 HydrophobicContact CD2-CG2 4.26Å; W120-T175 HydrophobicContact CH2-CG2 3.72Å; W120-T175 HydrophobicContact CZ2-CG2 3.24Å; W120-T175 HydrophobicContact CZ3-CG2 4.38Å; W120-T175 PolarHBondContact N-O 3.25Å; W120-T175 PolarHBondContact O-N 3.27Å; T175-Q215 HydrophobicContact CG2-CG 3.23Å; T175-Q215 VanDerWaalsContact CG2-NE2 3.31Å; T175-K216 WeakPolarHBondContact CA-O 3.35Å; T175-N217 WeakPolarHBondContact CB-OD1 3.28Å; T175-N217 WeakPolarHBondContact CG2-OD1 3.33Å; T175-N217 PolarHBondContact OG1-OD1 3.42Å |
| 176 | W | 95 | Very high | 85.9 | Confident | 9 Ų | 9 | 47 Ų | 47 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.3 | 178.4 | 63.6 | 0.2 | 0 | 0 | 0 | 113.3 | S118 L119 Y185 I205 I211 Q215 K216 F218 | S118-W176 CarbonylContact O-C 3.59Å; S118-W176 WeakPolarHBondContact O-CA 3.2Å; L119-W176 HydrophobicContact CB-CB 4.48Å; L119-W176 HydrophobicContact CD1-CB 3.88Å; W176-Y185 AromaticContact CH2-CD1 3.3Å; W176-Y185 HydrophobicContact CH2-CD1 3.3Å; W176-Y185 AromaticContact CH2-CD2 3.84Å; W176-Y185 HydrophobicContact CH2-CD2 3.84Å; W176-Y185 AromaticContact CH2-CE1 3.38Å; W176-Y185 HydrophobicContact CH2-CE1 3.38Å; W176-Y185 AromaticContact CH2-CE2 3.91Å; W176-Y185 HydrophobicContact CH2-CE2 3.91Å; W176-Y185 AromaticContact CH2-CG 3.54Å; W176-Y185 HydrophobicContact CH2-CG 3.54Å; W176-Y185 AromaticContact CH2-CZ 3.69Å; W176-Y185 HydrophobicContact CZ2-CD1 4.13Å; W176-Y185 AromaticContact CZ2-CE1 3.88Å; W176-Y185 HydrophobicContact CZ2-CE1 3.88Å; W176-Y185 AromaticContact CZ3-CD1 3.8Å; W176-Y185 HydrophobicContact CZ3-CD1 3.8Å; W176-Y185 HydrophobicContact CZ3-CD2 4.21Å; W176-Y185 HydrophobicContact CZ3-CE1 4.32Å; W176-Y185 AromaticContact CZ3-CG 3.73Å; W176-Y185 HydrophobicContact CZ3-CG 3.73Å; W176-I205 HydrophobicContact CH2-CD1 3.42Å; W176-I205 VanDerWaalsContact CH2-CD1 3.42Å; W176-I205 HydrophobicContact CZ2-CD1 3.48Å; W176-I205 VanDerWaalsContact CZ2-CD1 3.48Å; W176-I211 HydrophobicContact CD2-CG2 4.05Å; W176-I211 HydrophobicContact CE3-CD1 4.22Å; W176-I211 HydrophobicContact CE3-CG1 4.19Å; W176-I211 HydrophobicContact CE3-CG2 4.26Å; W176-I211 HydrophobicContact CG-CG2 4.2Å; W176-I211 HydrophobicContact CH2-CG1 4.48Å; W176-I211 HydrophobicContact CZ3-CD1 4.32Å; W176-I211 HydrophobicContact CZ3-CG1 4.1Å; W176-Q215 WeakPolarHBondContact O-CA 3.28Å; W176-K216 PolarHBondContact N-O 3.12Å; W176-K216 PolarHBondContact O-N 2.91Å; W176-F218 AromaticContact CD2-CD1 3.82Å; W176-F218 HydrophobicContact CD2-CD1 3.82Å; W176-F218 AromaticContact CD2-CE1 3.62Å; W176-F218 HydrophobicContact CD2-CE1 3.62Å; W176-F218 AromaticContact CE2-CD1 3.67Å; W176-F218 AromaticContact CE2-CE1 3.95Å; W176-F218 HydrophobicContact CE3-CD1 4.26Å; W176-F218 AromaticContact CE3-CE1 3.67Å; W176-F218 HydrophobicContact CE3-CE1 3.67Å; W176-F218 HydrophobicContact CE3-CZ 4.4Å; W176-F218 HydrophobicContact CG-CD1 4.17Å; W176-F218 HydrophobicContact CG-CE1 4.03Å; W176-F218 HydrophobicContact CH2-CD1 4.38Å; W176-F218 HydrophobicContact CH2-CE1 4.33Å; W176-F218 AromaticContact CZ2-CD1 3.99Å; W176-F218 HydrophobicContact CZ2-CD1 3.99Å; W176-F218 HydrophobicContact CZ2-CE1 4.31Å; W176-F218 HydrophobicContact CZ3-CE1 4.03Å; W176-F218 HydrophobicContact CZ3-CZ 4.46Å; W176-F218 AromaticContact NE1-CD1 3.89Å |
| 177 | K | 95.1 | Very high | 87.1 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 30% | 0.296 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 147.1 | 168.1 | 64.2 | 179.7 | -176.9 | 173.7 | 0 | 110.1 | I117 S118 W120 P212 | I117-K177 VanDerWaalsContact CA-O 3.31Å; I117-K177 WeakPolarHBondContact CA-O 3.44Å; S118-K177 PolarHBondContact N-O 2.81Å; S118-K177 PolarHBondContact O-N 2.84Å; W120-K177 HydrophobicContact CH2-CD 4.33Å; W120-K177 HydrophobicContact CH2-CG 4.24Å; W120-K177 HydrophobicContact CZ3-CG 4.17Å; K177-P212 CarbonylContact C-O 3.6Å |
| 178 | S | 93.7 | Very high | 88 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | trans | -90.3 | -18.3 | 176.5 | 80.5 | 0 | 0 | 0 | 0 | 112.9 | R181 P212 Q213 | S178-R181 VanDerWaalsContact CB-O 3.27Å; S178-R181 WeakPolarHBondContact CB-O 3.45Å; S178-R181 PolarHBondContact OG-O 2.94Å; S178-P212 WeakPolarHBondContact CB-O 3.37Å; S178-P212 PolarHBondContact N-O 2.9Å; S178-P212 PolarHBondContact OG-O 3.04Å; S178-Q213 WeakPolarHBondContact OG-CA 3.16Å | ||
| 179 | G | 89.3 | Confident | 89.4 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -145.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R181 Q213 | G179-R181 VanDerWaalsContact C-N 3.32Å; G179-R181 PolarHBondContact O-N 3.33Å; G179-Q213 PolarHBondContact N-O 3.15Å; G179-Q213 WeakPolarHBondContact O-CG 3.39Å |
| 180 | R | 87.3 | Confident | 90.4 | Very high | 169 Ų | 169 | 53.4 Ų | 53.4 | 64% | 0.638 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25 | -177.1 | -66.3 | -177 | 173.3 | 168.2 | -0.5 | 114.3 | ||
| 181 | R | 89.6 | Confident | 91.5 | Very high | 151 Ų | 151 | 55 Ų | 55 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -88.8 | 147.6 | -177.1 | -70.5 | -179 | 173.3 | -171.1 | -0 | 110.9 | S178 G179 Y183 | S178-R181 VanDerWaalsContact CB-O 3.27Å; S178-R181 WeakPolarHBondContact CB-O 3.45Å; S178-R181 PolarHBondContact OG-O 2.94Å; G179-R181 VanDerWaalsContact C-N 3.32Å; G179-R181 PolarHBondContact O-N 3.33Å; R181-Y183 HydrophobicContact CB-CD2 4.27Å; R181-Y183 HydrophobicContact CB-CE2 3.6Å |
| 182 | K | 92.4 | Very high | 92.2 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | trans | -89.9 | 120.6 | 178.1 | -59.4 | -174 | -177.5 | 177.8 | 0 | 109.9 | ||||
| 183 | Y | 95.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150 | 174.4 | -65.4 | -80.6 | 0 | 0 | 0 | 110.4 | I117 S148 R181 I211 I240 Q241 T242 L248 | I117-Y183 HydrophobicContact CB-CD2 3.72Å; I117-Y183 HydrophobicContact CB-CE2 3.72Å; I117-Y183 HydrophobicContact CB-CG 4.28Å; I117-Y183 HydrophobicContact CD1-CG 4.49Å; I117-Y183 HydrophobicContact CG2-CD1 4.48Å; I117-Y183 HydrophobicContact CG2-CD2 4.14Å; I117-Y183 HydrophobicContact CG2-CE1 4.24Å; I117-Y183 HydrophobicContact CG2-CE2 3.86Å; I117-Y183 HydrophobicContact CG2-CG 4.43Å; S148-Y183 PolarHBondContact OG-OH 2.72Å; R181-Y183 HydrophobicContact CB-CD2 4.27Å; R181-Y183 HydrophobicContact CB-CE2 3.6Å; Y183-I211 PolarHBondContact O-N 2.82Å; Y183-I240 HydrophobicContact CD1-CG2 4.21Å; Y183-Q241 CarbonylContact C-O 3.59Å; Y183-Q241 WeakPolarHBondContact CA-O 3.32Å; Y183-T242 HydrophobicContact CD1-CG2 4.3Å; Y183-T242 HydrophobicContact CE1-CG2 3.98Å; Y183-L248 HydrophobicContact CE1-CD1 4.2Å |
| 184 | F | 96.4 | Very high | 93.1 | Very high | 77 Ų | 77 | 58 Ų | 58 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.5 | 177.5 | -63.6 | -92.9 | 0 | 0 | 0 | 108.5 | G209 R210 I240 Q241 R243 | F184-G209 CarbonylContact C-O 3.49Å; F184-G209 VanDerWaalsContact CA-O 3.28Å; F184-G209 WeakPolarHBondContact CA-O 3.4Å; F184-R210 HydrophobicContact CD1-CB 4.04Å; F184-R210 HydrophobicContact CD1-CG 4.47Å; F184-R210 HydrophobicContact CE1-CB 3.92Å; F184-R210 HydrophobicContact CE1-CG 4.18Å; F184-I240 CarbonylContact O-C 3.58Å; F184-I240 WeakPolarHBondContact O-CA 3.46Å; F184-Q241 PolarHBondContact N-O 3.43Å; F184-Q241 PolarHBondContact O-N 2.9Å; F184-R243 HydrophobicContact CE2-CB 4.18Å; F184-R243 HydrophobicContact CE2-CG 4.45Å |
| 185 | Y | 96.4 | Very high | 93 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.2 | 178.9 | 71.1 | -87.6 | 0 | 0 | 0 | 110.1 | W176 F187 I205 R206 S208 G209 I211 K239 | W176-Y185 AromaticContact CH2-CD1 3.3Å; W176-Y185 HydrophobicContact CH2-CD1 3.3Å; W176-Y185 AromaticContact CH2-CD2 3.84Å; W176-Y185 HydrophobicContact CH2-CD2 3.84Å; W176-Y185 AromaticContact CH2-CE1 3.38Å; W176-Y185 HydrophobicContact CH2-CE1 3.38Å; W176-Y185 AromaticContact CH2-CE2 3.91Å; W176-Y185 HydrophobicContact CH2-CE2 3.91Å; W176-Y185 AromaticContact CH2-CG 3.54Å; W176-Y185 HydrophobicContact CH2-CG 3.54Å; W176-Y185 AromaticContact CH2-CZ 3.69Å; W176-Y185 HydrophobicContact CZ2-CD1 4.13Å; W176-Y185 AromaticContact CZ2-CE1 3.88Å; W176-Y185 HydrophobicContact CZ2-CE1 3.88Å; W176-Y185 AromaticContact CZ3-CD1 3.8Å; W176-Y185 HydrophobicContact CZ3-CD1 3.8Å; W176-Y185 HydrophobicContact CZ3-CD2 4.21Å; W176-Y185 HydrophobicContact CZ3-CE1 4.32Å; W176-Y185 AromaticContact CZ3-CG 3.73Å; W176-Y185 HydrophobicContact CZ3-CG 3.73Å; Y185-F187 AromaticContact CD2-CD2 3.67Å; Y185-F187 HydrophobicContact CD2-CD2 3.67Å; Y185-F187 AromaticContact CD2-CE2 3.68Å; Y185-F187 HydrophobicContact CD2-CE2 3.68Å; Y185-F187 AromaticContact CE2-CD2 3.9Å; Y185-F187 HydrophobicContact CE2-CD2 3.9Å; Y185-F187 AromaticContact CE2-CE2 3.93Å; Y185-F187 HydrophobicContact CE2-CE2 3.93Å; Y185-I205 HydrophobicContact CE2-CD1 3.93Å; Y185-R206 VanDerWaalsContact CE2-O 3.24Å; Y185-R206 WeakPolarHBondContact CE2-O 3.24Å; Y185-R206 PolarHBondContact OH-O 3.43Å; Y185-R206 VanDerWaalsContact OH-O 3.1Å; Y185-S208 VanDerWaalsContact O-CA 3.27Å; Y185-S208 WeakPolarHBondContact O-CA 3.39Å; Y185-G209 VanDerWaalsContact CD1-C 3.5Å; Y185-G209 WeakPolarHBondContact CD1-O 3.28Å; Y185-G209 PolarHBondContact N-O 3.05Å; Y185-G209 PolarHBondContact O-N 3.43Å; Y185-I211 HydrophobicContact CD1-CG1 3.73Å; Y185-I211 HydrophobicContact CG-CG1 4.34Å; Y185-K239 CarbonylContact C-O 3.59Å; Y185-K239 WeakPolarHBondContact CA-O 2.94Å |
| 186 | D | 96.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 116.2 | 174.1 | -179.1 | 34.7 | 0 | 0 | 0 | 109.3 | D188 K239 | D186-D188 PolarHBondContact O-N 2.72Å; D186-K239 HydrophobicContact CB-CB 4.34Å; D186-K239 PolarHBondContact N-O 2.97Å; D186-K239 PolarHBondContact O-N 2.89Å |
| 187 | F | 95.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 89.7 | 172.1 | -74.7 | -88.5 | 0 | 0 | 0 | 109 | Y185 R189 L190 L203 I205 K207 F218 I220 V236 G237 L238 | Y185-F187 AromaticContact CD2-CD2 3.67Å; Y185-F187 HydrophobicContact CD2-CD2 3.67Å; Y185-F187 AromaticContact CD2-CE2 3.68Å; Y185-F187 HydrophobicContact CD2-CE2 3.68Å; Y185-F187 AromaticContact CE2-CD2 3.9Å; Y185-F187 HydrophobicContact CE2-CD2 3.9Å; Y185-F187 AromaticContact CE2-CE2 3.93Å; Y185-F187 HydrophobicContact CE2-CE2 3.93Å; F187-R189 VanDerWaalsContact C-N 3.34Å; F187-L190 HydrophobicContact CB-CD1 4.3Å; F187-L190 HydrophobicContact CB-CG 4.44Å; F187-L190 HydrophobicContact CD1-CD2 4.32Å; F187-L203 HydrophobicContact CB-CD1 3.97Å; F187-L203 HydrophobicContact CD1-CD1 4.2Å; F187-L203 HydrophobicContact CD1-CD2 4.47Å; F187-L203 HydrophobicContact CD2-CD1 3.42Å; F187-L203 VanDerWaalsContact CD2-CD1 3.42Å; F187-L203 HydrophobicContact CE1-CD2 4.27Å; F187-L203 HydrophobicContact CE2-CD1 3.86Å; F187-L203 HydrophobicContact CE2-CD2 4.47Å; F187-L203 HydrophobicContact CG-CD1 3.61Å; F187-L203 HydrophobicContact CZ-CD1 4.41Å; F187-L203 HydrophobicContact CZ-CD2 4.27Å; F187-I205 HydrophobicContact CE2-CD1 4.22Å; F187-K207 WeakPolarHBondContact CD2-O 3.31Å; F187-K207 PolarHBondContact N-O 2.9Å; F187-F218 AromaticContact CZ-CE2 3.82Å; F187-F218 HydrophobicContact CZ-CE2 3.82Å; F187-F218 HydrophobicContact CZ-CZ 4.1Å; F187-I220 HydrophobicContact CE1-CD1 4.49Å; F187-V236 HydrophobicContact CD1-CG1 4.19Å; F187-V236 HydrophobicContact CE1-CG1 4.2Å; F187-G237 VanDerWaalsContact CA-O 3.3Å; F187-G237 WeakPolarHBondContact CA-O 3.23Å; F187-L238 HydrophobicContact CD1-CB 4.4Å; F187-L238 HydrophobicContact CD1-CD1 4.18Å; F187-L238 HydrophobicContact CD2-CD1 4.19Å; F187-L238 HydrophobicContact CE1-CB 4.26Å; F187-L238 HydrophobicContact CE1-CD1 3.96Å; F187-L238 HydrophobicContact CE1-CG 4.47Å; F187-L238 HydrophobicContact CE2-CD1 3.95Å; F187-L238 HydrophobicContact CG-CD1 4.3Å; F187-L238 HydrophobicContact CZ-CD1 3.83Å; F187-L238 HydrophobicContact CZ-CD2 4.48Å |
| 188 | D | 93.5 | Very high | 91.9 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -11 | -174.6 | 69.5 | -18.1 | 0 | 0 | 0 | 113.2 | D186 G237 R254 | D186-D188 PolarHBondContact O-N 2.72Å; D188-G237 PolarHBondContact N-O 3.26Å; D188-G237 VanDerWaalsContact OD1-C 3.31Å; D188-G237 WeakPolarHBondContact OD1-CA 3.35Å; D188-R254 IonicContact OD1-CZ 3.63Å; D188-R254 IonicContact OD1-NH1 2.71Å; D188-R254 PolarHBondContact OD1-NH1 3.39Å; D188-R254 IonicContact OD1-NH2 3.87Å; D188-R254 IonicContact OD2-CZ 3.2Å; D188-R254 IonicContact OD2-NH1 2.97Å; D188-R254 PolarHBondContact OD2-NH1 3.31Å; D188-R254 IonicContact OD2-NH2 2.67Å; D188-R254 PolarHBondContact OD2-NH2 2.83Å |
| 189 | R | 94.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 67.3 Ų | 67.3 | 37% | 0.366 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 122.9 | 175.3 | -167.2 | 177.3 | -61.1 | -169.5 | -3 | 111.6 | F187 Q191 N235 V236 G237 | F187-R189 VanDerWaalsContact C-N 3.34Å; R189-Q191 HydrophobicContact CG-CB 4.39Å; R189-Q191 HydrophobicContact CG-CG 4.2Å; R189-N235 HydrophobicContact CG-CB 4.17Å; R189-V236 CarbonylContact O-C 3.56Å; R189-V236 WeakPolarHBondContact O-CA 3.36Å; R189-G237 PolarHBondContact O-N 3.24Å |
| 190 | L | 93.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 85.1 | 170.5 | -66 | 170.2 | 0 | 0 | 0 | 106.5 | F187 P201 L203 V236 | F187-L190 HydrophobicContact CB-CD1 4.3Å; F187-L190 HydrophobicContact CB-CG 4.44Å; F187-L190 HydrophobicContact CD1-CD2 4.32Å; L190-P201 HydrophobicContact CD2-CB 4.35Å; L190-L203 HydrophobicContact CD1-CD1 3.83Å; L190-L203 HydrophobicContact CD1-CG 3.87Å; L190-L203 HydrophobicContact CD2-CD2 4.43Å; L190-V236 HydrophobicContact CD2-CG1 4.14Å; L190-V236 HydrophobicContact CD2-CG2 4.32Å |
| 191 | Q | 94.1 | Very high | 92 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.9 | -170.2 | -71.9 | 175.6 | -32.3 | 0 | 0 | 110.3 | R189 F234 N235 | R189-Q191 HydrophobicContact CG-CB 4.39Å; R189-Q191 HydrophobicContact CG-CG 4.2Å; Q191-F234 CarbonylContact O-C 3.58Å; Q191-F234 VanDerWaalsContact O-CA 3.28Å; Q191-F234 WeakPolarHBondContact O-CA 3.32Å; Q191-F234 WeakPolarHBondContact O-CB 3.27Å; Q191-N235 PolarHBondContact N-O 2.77Å; Q191-N235 PolarHBondContact O-N 3.48Å |
| 192 | T | 93.1 | Very high | 92 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 146.1 | 167.6 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | D194 E195 L198 | T192-D194 PolarHBondContact OG1-N 3.02Å; T192-D194 PolarHBondContact OG1-O 3.48Å; T192-E195 HydrophobicContact CG2-CB 4Å; T192-E195 HydrophobicContact CG2-CG 4.38Å; T192-L198 WeakPolarHBondContact CB-O 3.37Å; T192-L198 WeakPolarHBondContact CG2-O 3.45Å; T192-L198 PolarHBondContact OG1-O 3.4Å |
| 193 | M | 91.1 | Very high | 91.9 | Very high | 137 Ų | 137 | 54 Ų | 54 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -92.8 | -12.9 | 172.1 | -58.7 | -59.3 | -63.7 | 0 | 0 | 111.8 | S233 | M193-S233 WeakPolarHBondContact CB-O 3.42Å; M193-S233 PolarHBondContact N-O 2.92Å |
| 194 | D | 90.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | trans | -139.9 | 89.7 | -179.8 | -168.7 | -19.3 | 0 | 0 | 0 | 109.9 | T192 S196 I197 L198 A232 | T192-D194 PolarHBondContact OG1-N 3.02Å; T192-D194 PolarHBondContact OG1-O 3.48Å; D194-S196 PolarHBondContact O-N 2.95Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.02Å; D194-S196 PolarHBondContact OD1-OG 3.42Å; D194-I197 PolarHBondContact O-N 3.04Å; D194-I197 PolarHBondContact OD1-N 2.03Å; D194-I197 VanDerWaalsContact OD2-CD1 3.23Å; D194-I197 WeakPolarHBondContact OD2-CD1 3.16Å; D194-L198 PolarHBondContact O-N 3.44Å; D194-L198 VanDerWaalsContact O-O 3.06Å; D194-A232 HydrophobicContact CB-CB 4.09Å | ||
| 195 | E | 88.4 | Confident | 91.4 | Very high | 141 Ų | 141 | 55.2 Ų | 55.2 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.9 | -177.9 | -166.6 | 164.8 | -160.9 | 0 | 0 | 112.9 | T192 I197 L198 T225 | T192-E195 HydrophobicContact CG2-CB 4Å; T192-E195 HydrophobicContact CG2-CG 4.38Å; E195-I197 VanDerWaalsContact C-N 3.26Å; E195-I197 PolarHBondContact O-N 2.7Å; E195-L198 WeakPolarHBondContact CA-O 3.48Å; E195-T225 PolarHBondContact O-OG1 2.81Å |
| 196 | S | 84.4 | Confident | 91.3 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.4 | 176.6 | 75.6 | 0 | 0 | 0 | 0 | 112.1 | D194 T225 | D194-S196 PolarHBondContact O-N 2.95Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.02Å; D194-S196 PolarHBondContact OD1-OG 3.42Å; S196-T225 WeakPolarHBondContact O-CB 3.22Å |
| 197 | I | 85.5 | Confident | 91.3 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -44.8 | -179 | -61.3 | 178.5 | 0 | 0 | 0 | 111.4 | D194 E195 T225 A232 C261 | D194-I197 PolarHBondContact O-N 3.04Å; D194-I197 PolarHBondContact OD1-N 2.03Å; D194-I197 VanDerWaalsContact OD2-CD1 3.23Å; D194-I197 WeakPolarHBondContact OD2-CD1 3.16Å; E195-I197 VanDerWaalsContact C-N 3.26Å; E195-I197 PolarHBondContact O-N 2.7Å; I197-T225 PolarHBondContact O-N 3.22Å; I197-A232 HydrophobicContact CB-CB 4.02Å; I197-A232 HydrophobicContact CG2-CB 3.87Å; I197-C261 HydrophobicContact CG2-CB 3.67Å |
| 198 | L | 88.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -136.3 | 121.4 | -173.1 | -175.3 | 81.1 | 0 | 0 | 0 | 110.8 | T192 D194 E195 L222 P223 A232 F234 K259 | T192-L198 WeakPolarHBondContact CB-O 3.37Å; T192-L198 WeakPolarHBondContact CG2-O 3.45Å; T192-L198 PolarHBondContact OG1-O 3.4Å; D194-L198 PolarHBondContact O-N 3.44Å; D194-L198 VanDerWaalsContact O-O 3.06Å; E195-L198 WeakPolarHBondContact CA-O 3.48Å; L198-L222 HydrophobicContact CD1-CB 4.49Å; L198-P223 WeakPolarHBondContact CD1-O 3.16Å; L198-A232 HydrophobicContact CB-CB 3.39Å; L198-A232 HydrophobicContact CD2-CB 4.1Å; L198-A232 HydrophobicContact CG-CB 4.37Å; L198-F234 HydrophobicContact CD2-CB 4.04Å; L198-F234 HydrophobicContact CD2-CD1 3.75Å; L198-F234 HydrophobicContact CD2-CG 4.1Å; L198-K259 HydrophobicContact CD1-CB 4.35Å; L198-K259 HydrophobicContact CD1-CG 3.81Å; L198-K259 HydrophobicContact CD2-CB 4.05Å; L198-K259 HydrophobicContact CD2-CG 4.42Å |
| 199 | K | 89.4 | Confident | 91.4 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 160 | 172 | -62.8 | 175.5 | -177.9 | 170.5 | 0 | 110.3 | P223 | K199-P223 HydrophobicContact CB-CB 4.27Å; K199-P223 HydrophobicContact CB-CG 3.86Å; K199-P223 PolarHBondContact N-O 2.99Å |
| 200 | A | 90.3 | Very high | 91.5 | Very high | 42 Ų | 42 | 70.4 Ų | 70.4 | 35% | 0.347 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 138 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 201 | P | 91.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 140.3 | -179.8 | -22.4 | 31 | 0 | 0 | 0 | 112.6 | L190 I220 F221 L222 F234 | L190-P201 HydrophobicContact CD2-CB 4.35Å; P201-I220 HydrophobicContact CB-CG2 4.07Å; P201-F221 WeakPolarHBondContact CA-O 3.17Å; P201-L222 HydrophobicContact CB-CD2 4.32Å; P201-L222 HydrophobicContact CG-CD2 4.43Å; P201-F234 HydrophobicContact CG-CB 4.27Å; P201-F234 HydrophobicContact CG-CD2 3.54Å; P201-F234 HydrophobicContact CG-CE2 4.14Å; P201-F234 HydrophobicContact CG-CG 4.14Å |
| 202 | T | 89.6 | Confident | 91.7 | Very high | 73 Ų | 73 | 65.4 Ų | 65.4 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 161.2 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | I220 F221 | T202-I220 CarbonylContact O-C 3.52Å; T202-I220 WeakPolarHBondContact O-CA 3.43Å; T202-F221 PolarHBondContact N-O 3.26Å; T202-F221 VanDerWaalsContact N-O 3.15Å; T202-F221 PolarHBondContact O-N 2.62Å; T202-F221 WeakPolarHBondContact OG1-CB 3.19Å |
| 203 | L | 90.2 | Very high | 91.7 | Very high | 27 Ų | 27 | 69.7 Ų | 69.7 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.2 | -175.3 | -62.4 | 175.7 | 0 | 0 | 0 | 110.2 | F187 L190 I205 I220 | F187-L203 HydrophobicContact CB-CD1 3.97Å; F187-L203 HydrophobicContact CD1-CD1 4.2Å; F187-L203 HydrophobicContact CD1-CD2 4.47Å; F187-L203 HydrophobicContact CD2-CD1 3.42Å; F187-L203 VanDerWaalsContact CD2-CD1 3.42Å; F187-L203 HydrophobicContact CE1-CD2 4.27Å; F187-L203 HydrophobicContact CE2-CD1 3.86Å; F187-L203 HydrophobicContact CE2-CD2 4.47Å; F187-L203 HydrophobicContact CG-CD1 3.61Å; F187-L203 HydrophobicContact CZ-CD1 4.41Å; F187-L203 HydrophobicContact CZ-CD2 4.27Å; L190-L203 HydrophobicContact CD1-CD1 3.83Å; L190-L203 HydrophobicContact CD1-CG 3.87Å; L190-L203 HydrophobicContact CD2-CD2 4.43Å; L203-I205 HydrophobicContact CB-CG1 4.18Å; L203-I205 VanDerWaalsContact CB-O 3.25Å; L203-I205 WeakPolarHBondContact CB-O 3.21Å; L203-I205 PolarHBondContact O-N 3.22Å; L203-I220 HydrophobicContact CD2-CB 4.38Å; L203-I220 HydrophobicContact CD2-CD1 4.29Å; L203-I220 HydrophobicContact CD2-CG1 3.74Å; L203-I220 HydrophobicContact CD2-CG2 4.36Å |
| 204 | S | 89 | Confident | 91.7 | Very high | 60 Ų | 60 | 70.2 Ų | 70.2 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -71.7 | -3.5 | 168.7 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | F218 S219 | S204-F218 WeakPolarHBondContact OG-CA 3.28Å; S204-S219 PolarHBondContact N-O 3.46Å; S204-S219 PolarHBondContact OG-N 3.14Å |
| 205 | I | 93.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -128.2 | 168 | -179 | 57.6 | 173.2 | 0 | 0 | 0 | 109.6 | W176 Y185 F187 L203 F218 | W176-I205 HydrophobicContact CH2-CD1 3.42Å; W176-I205 VanDerWaalsContact CH2-CD1 3.42Å; W176-I205 HydrophobicContact CZ2-CD1 3.48Å; W176-I205 VanDerWaalsContact CZ2-CD1 3.48Å; Y185-I205 HydrophobicContact CE2-CD1 3.93Å; F187-I205 HydrophobicContact CE2-CD1 4.22Å; L203-I205 HydrophobicContact CB-CG1 4.18Å; L203-I205 VanDerWaalsContact CB-O 3.25Å; L203-I205 WeakPolarHBondContact CB-O 3.21Å; L203-I205 PolarHBondContact O-N 3.22Å; I205-F218 HydrophobicContact CD1-CB 3.83Å; I205-F218 HydrophobicContact CD1-CD1 4.28Å; I205-F218 HydrophobicContact CD1-CD2 3.89Å; I205-F218 HydrophobicContact CD1-CG 3.74Å; I205-F218 HydrophobicContact CG1-CB 4.11Å; I205-F218 HydrophobicContact CG1-CD2 4.32Å; I205-F218 HydrophobicContact CG1-CG 4.37Å; I205-F218 HydrophobicContact CG2-CB 3.76Å |
| 206 | R | 94.8 | Very high | 92.1 | Very high | 213 Ų | 213 | 71.9 Ų | 71.9 | 80% | 0.804 | 36% | 0.362 | S | S | * | . | trans | -62.1 | 155 | 173.3 | -64.2 | -178.9 | -178.8 | -97.9 | -1.3 | 110.5 | Y185 S208 | Y185-R206 VanDerWaalsContact CE2-O 3.24Å; Y185-R206 WeakPolarHBondContact CE2-O 3.24Å; Y185-R206 PolarHBondContact OH-O 3.43Å; Y185-R206 VanDerWaalsContact OH-O 3.1Å; R206-S208 VanDerWaalsContact C-N 3.26Å; R206-S208 PolarHBondContact O-N 3.28Å | ||
| 207 | K | 95.3 | Very high | 92.4 | Very high | 140 Ų | 140 | 72.8 Ų | 72.8 | 61% | 0.609 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -62.8 | -31.5 | 178.7 | -68.8 | -174.2 | 178.6 | -178.5 | 0 | 113.2 | F187 | F187-K207 WeakPolarHBondContact CD2-O 3.31Å; F187-K207 PolarHBondContact N-O 2.9Å |
| 208 | S | 96.8 | Very high | 92.6 | Very high | 69 Ų | 69 | 72.1 Ų | 72.1 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.6 | 175.3 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | Y185 R206 | Y185-S208 VanDerWaalsContact O-CA 3.27Å; Y185-S208 WeakPolarHBondContact O-CA 3.39Å; R206-S208 VanDerWaalsContact C-N 3.26Å; R206-S208 PolarHBondContact O-N 3.28Å |
| 209 | G | 96.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 73 Ų | 73 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | -169 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F184 Y185 | F184-G209 CarbonylContact C-O 3.49Å; F184-G209 VanDerWaalsContact CA-O 3.28Å; F184-G209 WeakPolarHBondContact CA-O 3.4Å; Y185-G209 VanDerWaalsContact CD1-C 3.5Å; Y185-G209 WeakPolarHBondContact CD1-O 3.28Å; Y185-G209 PolarHBondContact N-O 3.05Å; Y185-G209 PolarHBondContact O-N 3.43Å |
| 210 | R | 96.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 69.8 Ų | 69.8 | 46% | 0.457 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.1 | 176.9 | -176.9 | 174.6 | 169.3 | -169.4 | -11.4 | 110.6 | F184 | F184-R210 HydrophobicContact CD1-CB 4.04Å; F184-R210 HydrophobicContact CD1-CG 4.47Å; F184-R210 HydrophobicContact CE1-CB 3.92Å; F184-R210 HydrophobicContact CE1-CG 4.18Å |
| 211 | I | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 132.2 | 174.7 | -57.8 | -177.6 | 0 | 0 | 0 | 108.7 | I117 W176 Y183 Y185 I240 | I117-I211 HydrophobicContact CD1-CD1 3.33Å; I117-I211 HydrophobicContact CG1-CD1 4.39Å; W176-I211 HydrophobicContact CD2-CG2 4.05Å; W176-I211 HydrophobicContact CE3-CD1 4.22Å; W176-I211 HydrophobicContact CE3-CG1 4.19Å; W176-I211 HydrophobicContact CE3-CG2 4.26Å; W176-I211 HydrophobicContact CG-CG2 4.2Å; W176-I211 HydrophobicContact CH2-CG1 4.48Å; W176-I211 HydrophobicContact CZ3-CD1 4.32Å; W176-I211 HydrophobicContact CZ3-CG1 4.1Å; Y183-I211 PolarHBondContact O-N 2.82Å; Y185-I211 HydrophobicContact CD1-CG1 3.73Å; Y185-I211 HydrophobicContact CG-CG1 4.34Å; I211-I240 HydrophobicContact CD1-CD1 4.36Å; I211-I240 HydrophobicContact CD1-CG2 4.14Å |
| 212 | P | 95.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145.7 | -178.5 | 25.7 | -32.1 | 0 | 0 | 0 | 111.5 | K177 S178 K216 | K177-P212 CarbonylContact C-O 3.6Å; S178-P212 WeakPolarHBondContact CB-O 3.37Å; S178-P212 PolarHBondContact N-O 2.9Å; S178-P212 PolarHBondContact OG-O 3.04Å; P212-K216 HydrophobicContact CB-CB 4.45Å; P212-K216 HydrophobicContact CB-CD 3.82Å; P212-K216 HydrophobicContact CB-CG 3.93Å; P212-K216 HydrophobicContact CG-CB 3.77Å; P212-K216 HydrophobicContact CG-CD 3.93Å; P212-K216 HydrophobicContact CG-CG 3.81Å |
| 213 | Q | 92.9 | Very high | 91.4 | Very high | 116 Ų | 116 | 70 Ų | 70 | 54% | 0.542 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -64.6 | -44.5 | 177.6 | 172.3 | 165 | -9.8 | 0 | 0 | 111.6 | S178 G179 | S178-Q213 WeakPolarHBondContact OG-CA 3.16Å; G179-Q213 PolarHBondContact N-O 3.15Å; G179-Q213 WeakPolarHBondContact O-CG 3.39Å |
| 214 | E | 91.3 | Very high | 91.2 | Very high | 148 Ų | 148 | 69.5 Ų | 69.5 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -90.4 | 166.2 | 175.5 | -65.5 | 178.4 | -178.8 | 0 | 0 | 111.6 | K216 | E214-K216 PolarHBondContact O-N 3.17Š|
| 215 | Q | 92.7 | Very high | 90.7 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | trans | -62.4 | 122.3 | 178.9 | -173.5 | 175.8 | -29.8 | 0 | 0 | 110.8 | W120 T175 W176 | W120-Q215 HydrophobicContact CH2-CG 4.05Å; W120-Q215 HydrophobicContact CZ2-CG 4.03Å; T175-Q215 HydrophobicContact CG2-CG 3.23Å; T175-Q215 VanDerWaalsContact CG2-NE2 3.31Å; W176-Q215 WeakPolarHBondContact O-CA 3.28Å | ||
| 216 | K | 92.8 | Very high | 89.4 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 55% | 0.548 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.2 | 169.8 | -65.7 | -163.6 | 174.7 | -170.7 | 0 | 111.3 | T175 W176 P212 E214 | T175-K216 WeakPolarHBondContact CA-O 3.35Å; W176-K216 PolarHBondContact N-O 3.12Å; W176-K216 PolarHBondContact O-N 2.91Å; P212-K216 HydrophobicContact CB-CB 4.45Å; P212-K216 HydrophobicContact CB-CD 3.82Å; P212-K216 HydrophobicContact CB-CG 3.93Å; P212-K216 HydrophobicContact CG-CB 3.77Å; P212-K216 HydrophobicContact CG-CD 3.93Å; P212-K216 HydrophobicContact CG-CG 3.81Å; E214-K216 PolarHBondContact O-N 3.17Å |
| 217 | N | 90.8 | Very high | 88.1 | Confident | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 148.8 | 173.6 | -60.9 | -18.9 | 0 | 0 | 0 | 110.5 | N122 F174 T175 | N122-N217 PolarHBondContact ND2-ND2 2.79Å; F174-N217 CarbonylContact O-C 3.58Å; F174-N217 VanDerWaalsContact O-CA 3.22Å; F174-N217 WeakPolarHBondContact O-CA 3.11Å; T175-N217 WeakPolarHBondContact CB-OD1 3.28Å; T175-N217 WeakPolarHBondContact CG2-OD1 3.33Å; T175-N217 PolarHBondContact OG1-OD1 3.42Å |
| 218 | F | 90.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 156.8 | 162 | 71.2 | -86 | 0 | 0 | 0 | 108.7 | L119 F174 W176 F187 S204 I205 I220 | L119-F218 HydrophobicContact CD1-CE1 3.87Å; L119-F218 HydrophobicContact CD1-CZ 4.11Å; F174-F218 HydrophobicContact CB-CD1 4.09Å; F174-F218 HydrophobicContact CB-CD2 4.47Å; F174-F218 HydrophobicContact CB-CE1 3.54Å; F174-F218 HydrophobicContact CB-CE2 3.97Å; F174-F218 HydrophobicContact CB-CZ 3.48Å; F174-F218 VanDerWaalsContact CB-CZ 3.48Å; F174-F218 HydrophobicContact CD2-CE2 4.09Å; F174-F218 HydrophobicContact CD2-CZ 4.26Å; F174-F218 HydrophobicContact CG-CE2 4.3Å; F174-F218 HydrophobicContact CG-CZ 4.01Å; F174-F218 PolarHBondContact N-O 3.18Å; F174-F218 PolarHBondContact O-N 3.27Å; W176-F218 AromaticContact CD2-CD1 3.82Å; W176-F218 HydrophobicContact CD2-CD1 3.82Å; W176-F218 AromaticContact CD2-CE1 3.62Å; W176-F218 HydrophobicContact CD2-CE1 3.62Å; W176-F218 AromaticContact CE2-CD1 3.67Å; W176-F218 AromaticContact CE2-CE1 3.95Å; W176-F218 HydrophobicContact CE3-CD1 4.26Å; W176-F218 AromaticContact CE3-CE1 3.67Å; W176-F218 HydrophobicContact CE3-CE1 3.67Å; W176-F218 HydrophobicContact CE3-CZ 4.4Å; W176-F218 HydrophobicContact CG-CD1 4.17Å; W176-F218 HydrophobicContact CG-CE1 4.03Å; W176-F218 HydrophobicContact CH2-CD1 4.38Å; W176-F218 HydrophobicContact CH2-CE1 4.33Å; W176-F218 AromaticContact CZ2-CD1 3.99Å; W176-F218 HydrophobicContact CZ2-CD1 3.99Å; W176-F218 HydrophobicContact CZ2-CE1 4.31Å; W176-F218 HydrophobicContact CZ3-CE1 4.03Å; W176-F218 HydrophobicContact CZ3-CZ 4.46Å; W176-F218 AromaticContact NE1-CD1 3.89Å; F187-F218 AromaticContact CZ-CE2 3.82Å; F187-F218 HydrophobicContact CZ-CE2 3.82Å; F187-F218 HydrophobicContact CZ-CZ 4.1Å; S204-F218 WeakPolarHBondContact OG-CA 3.28Å; I205-F218 HydrophobicContact CD1-CB 3.83Å; I205-F218 HydrophobicContact CD1-CD1 4.28Å; I205-F218 HydrophobicContact CD1-CD2 3.89Å; I205-F218 HydrophobicContact CD1-CG 3.74Å; I205-F218 HydrophobicContact CG1-CB 4.11Å; I205-F218 HydrophobicContact CG1-CD2 4.32Å; I205-F218 HydrophobicContact CG1-CG 4.37Å; I205-F218 HydrophobicContact CG2-CB 3.76Å; F218-I220 HydrophobicContact CD2-CG1 4.47Å; F218-I220 HydrophobicContact CE2-CD1 4.38Å; F218-I220 HydrophobicContact CE2-CG1 4.05Å |
| 219 | S | 85.7 | Confident | 86 | Confident | 19 Ų | 19 | 58 Ų | 58 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.6 | -177 | -47.7 | 0 | 0 | 0 | 0 | 109.5 | V172 N173 S204 | V172-S219 WeakPolarHBondContact O-CA 3.44Å; N173-S219 WeakPolarHBondContact OD1-CB 3.43Å; N173-S219 PolarHBondContact OD1-OG 2.94Å; S204-S219 PolarHBondContact N-O 3.46Å; S204-S219 PolarHBondContact OG-N 3.14Å |
| 220 | I | 88 | Confident | 85.3 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.4 | 164.3 | -53 | -172.8 | 0 | 0 | 0 | 106.6 | Y171 V172 F174 F187 P201 T202 L203 F218 L222 V236 | Y171-I220 CarbonylContact C-O 3.57Å; Y171-I220 WeakPolarHBondContact CA-O 3.43Å; Y171-I220 WeakPolarHBondContact CB-O 3.34Å; V172-I220 PolarHBondContact N-O 3.47Å; V172-I220 PolarHBondContact O-N 2.82Å; F174-I220 HydrophobicContact CD2-CD1 4.05Å; F174-I220 HydrophobicContact CD2-CG1 3.97Å; F174-I220 HydrophobicContact CE2-CB 4.44Å; F174-I220 HydrophobicContact CE2-CD1 3.63Å; F174-I220 HydrophobicContact CE2-CG1 3.86Å; F174-I220 HydrophobicContact CZ-CD1 4.45Å; F187-I220 HydrophobicContact CE1-CD1 4.49Å; P201-I220 HydrophobicContact CB-CG2 4.07Å; T202-I220 CarbonylContact O-C 3.52Å; T202-I220 WeakPolarHBondContact O-CA 3.43Å; L203-I220 HydrophobicContact CD2-CB 4.38Å; L203-I220 HydrophobicContact CD2-CD1 4.29Å; L203-I220 HydrophobicContact CD2-CG1 3.74Å; L203-I220 HydrophobicContact CD2-CG2 4.36Å; F218-I220 HydrophobicContact CD2-CG1 4.47Å; F218-I220 HydrophobicContact CE2-CD1 4.38Å; F218-I220 HydrophobicContact CE2-CG1 4.05Å; I220-L222 HydrophobicContact CG2-CD2 4.32Å; I220-V236 HydrophobicContact CD1-CG1 4.37Å |
| 221 | F | 81.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 141.8 | 177.4 | -59.6 | -83.3 | 0 | 0 | 0 | 110.4 | Y171 P201 T202 P223 | Y171-F221 HydrophobicContact CD1-CD1 4.42Å; Y171-F221 HydrophobicContact CD1-CE1 4.36Å; Y171-F221 HydrophobicContact CG-CD1 4.27Å; Y171-F221 HydrophobicContact CG-CE1 4.27Å; P201-F221 WeakPolarHBondContact CA-O 3.17Å; T202-F221 PolarHBondContact N-O 3.26Å; T202-F221 VanDerWaalsContact N-O 3.15Å; T202-F221 PolarHBondContact O-N 2.62Å; T202-F221 WeakPolarHBondContact OG1-CB 3.19Å; F221-P223 VanDerWaalsContact C-CD 3.44Å; F221-P223 VanDerWaalsContact O-CD 3.27Å; F221-P223 WeakPolarHBondContact O-CD 3.19Å |
| 222 | L | 86.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -120.5 | 75.1 | -176.1 | -56.7 | 178.4 | 0 | 0 | 0 | 109.3 | I165 N170 V172 L198 P201 I220 C224 F234 K259 | I165-L222 HydrophobicContact CD1-CD1 3.72Å; I165-L222 HydrophobicContact CG2-CD1 4.05Å; N170-L222 PolarHBondContact O-N 3.3Å; V172-L222 HydrophobicContact CG2-CD1 4.33Å; L198-L222 HydrophobicContact CD1-CB 4.49Å; P201-L222 HydrophobicContact CB-CD2 4.32Å; P201-L222 HydrophobicContact CG-CD2 4.43Å; I220-L222 HydrophobicContact CG2-CD2 4.32Å; L222-C224 PolarHBondContact O-N 2.68Å; L222-F234 HydrophobicContact CD1-CZ 4.19Å; L222-F234 HydrophobicContact CD2-CD2 4.43Å; L222-F234 HydrophobicContact CD2-CE1 4.11Å; L222-F234 HydrophobicContact CD2-CE2 3.68Å; L222-F234 HydrophobicContact CD2-CZ 3.48Å; L222-F234 VanDerWaalsContact CD2-CZ 3.48Å; L222-K259 HydrophobicContact CD1-CD 4.29Å | ||
| 223 | P | 82.8 | Confident | 84.2 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | trans | -73.1 | 112.4 | -174.1 | 27.5 | -33.7 | 0 | 0 | 0 | 112.3 | L198 K199 F221 | L198-P223 WeakPolarHBondContact CD1-O 3.16Å; K199-P223 HydrophobicContact CB-CB 4.27Å; K199-P223 HydrophobicContact CB-CG 3.86Å; K199-P223 PolarHBondContact N-O 2.99Å; F221-P223 VanDerWaalsContact C-CD 3.44Å; F221-P223 VanDerWaalsContact O-CD 3.27Å; F221-P223 WeakPolarHBondContact O-CD 3.19Å | ||
| 224 | C | 84.4 | Confident | 84.1 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 144.5 | 167.4 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | L222 G226 C261 | L222-C224 PolarHBondContact O-N 2.68Å; C224-G226 PolarHBondContact O-N 2.84Å; C224-C261 VanDerWaalsContact CA-SG 3.55Å; C224-C261 HydrophobicContact CB-CB 3.66Å; C224-C261 WeakPolarHBondContact CB-SG 3.4Å; C224-C261 VanDerWaalsContact SG-CA 3.56Å; C224-C261 WeakPolarHBondContact SG-CB 3.21Å; C224-C261 CovalentContact SG-SG 2.04Å; C224-C261 PolarHBondContact SG-SG 2.76Å |
| 225 | T | 80.4 | Confident | 84 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | trans | -70.1 | -26.7 | -180 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | E195 S196 I197 N227 | E195-T225 PolarHBondContact O-OG1 2.81Å; S196-T225 WeakPolarHBondContact O-CB 3.22Å; I197-T225 PolarHBondContact O-N 3.22Å; T225-N227 VanDerWaalsContact C-N 3.28Å; T225-N227 PolarHBondContact O-N 3.39Å | ||
| 226 | G | 65.8 | Low | 83.9 | Confident | 9 Ų | 9 | 41 Ų | 41 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 85 | -10.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C224 H263 | C224-G226 PolarHBondContact O-N 2.84Å; G226-H263 PolarHBondContact O-CE1 2.81Å; G226-H263 VanDerWaalsContact O-CE1 3.28Å; G226-H263 PolarHBondContact O-ND1 2.67Å |
| 227 | N | 66.6 | Low | 83.8 | Confident | 130 Ų | 130 | 35 Ų | 35 | 70% | 0.695 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -94.7 | -11.7 | -178.2 | -67.8 | -13.3 | 0 | 0 | 0 | 114.3 | T225 | T225-N227 VanDerWaalsContact C-N 3.28Å; T225-N227 PolarHBondContact O-N 3.39Å |
| 228 | S | 69.3 | Low | 83.9 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 37% | 0.371 | 19% | 0.194 | S | C | . | . | trans | -149.3 | 138.6 | -175.4 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 229 | S | 79.6 | Confident | 84.1 | Confident | 74 Ų | 74 | 34.5 Ų | 34.5 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | trans | -85.8 | 142.3 | 169.6 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | C261 H263 | S229-C261 CarbonylContact C-O 3.52Å; S229-C261 VanDerWaalsContact CA-O 3.24Å; S229-C261 WeakPolarHBondContact CA-O 3.43Å; S229-H263 WeakPolarHBondContact OG-CB 3.32Å; S229-H263 PolarHBondContact OG-N 3.47Å | ||
| 230 | G | 81.3 | Confident | 84.6 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.9 | -172.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E260 C261 | G230-E260 CarbonylContact O-C 3.51Å; G230-C261 PolarHBondContact N-O 3.44Å; G230-C261 PolarHBondContact O-N 3.48Å |
| 231 | T | 84.9 | Confident | 84.9 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 44% | 0.442 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118 | 179.8 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | V164 K258 K259 | V164-T231 HydrophobicContact CG1-CG2 3.91Å; V164-T231 HydrophobicContact CG2-CG2 4.48Å; T231-K258 HydrophobicContact CG2-CB 3.91Å; T231-K258 HydrophobicContact CG2-CG 4.44Å; T231-K259 CarbonylContact C-O 3.52Å; T231-K259 WeakPolarHBondContact CA-O 3.21Å |
| 232 | A | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 142.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D194 I197 L198 K258 K259 | D194-A232 HydrophobicContact CB-CB 4.09Å; I197-A232 HydrophobicContact CB-CB 4.02Å; I197-A232 HydrophobicContact CG2-CB 3.87Å; L198-A232 HydrophobicContact CB-CB 3.39Å; L198-A232 HydrophobicContact CD2-CB 4.1Å; L198-A232 HydrophobicContact CG-CB 4.37Å; A232-K258 CarbonylContact O-C 3.52Å; A232-K258 WeakPolarHBondContact O-CA 3.14Å; A232-K259 PolarHBondContact N-O 3.23Å; A232-K259 PolarHBondContact O-N 3.28Å |
| 233 | S | 90.4 | Very high | 85.5 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.5 | 170.6 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | M193 F257 | M193-S233 WeakPolarHBondContact CB-O 3.42Å; M193-S233 PolarHBondContact N-O 2.92Å; S233-F257 CarbonylContact C-O 3.49Å; S233-F257 WeakPolarHBondContact CA-O 3.47Å |
| 234 | F | 89.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.6 | 177 | 72.6 | -86 | 0 | 0 | 0 | 111.9 | I165 Q191 L198 P201 L222 V236 F257 K259 | I165-F234 HydrophobicContact CD1-CE1 4.06Å; I165-F234 HydrophobicContact CD1-CZ 3.84Å; Q191-F234 CarbonylContact O-C 3.58Å; Q191-F234 VanDerWaalsContact O-CA 3.28Å; Q191-F234 WeakPolarHBondContact O-CA 3.32Å; Q191-F234 WeakPolarHBondContact O-CB 3.27Å; L198-F234 HydrophobicContact CD2-CB 4.04Å; L198-F234 HydrophobicContact CD2-CD1 3.75Å; L198-F234 HydrophobicContact CD2-CG 4.1Å; P201-F234 HydrophobicContact CG-CB 4.27Å; P201-F234 HydrophobicContact CG-CD2 3.54Å; P201-F234 HydrophobicContact CG-CE2 4.14Å; P201-F234 HydrophobicContact CG-CG 4.14Å; L222-F234 HydrophobicContact CD1-CZ 4.19Å; L222-F234 HydrophobicContact CD2-CD2 4.43Å; L222-F234 HydrophobicContact CD2-CE1 4.11Å; L222-F234 HydrophobicContact CD2-CE2 3.68Å; L222-F234 HydrophobicContact CD2-CZ 3.48Å; L222-F234 VanDerWaalsContact CD2-CZ 3.48Å; F234-V236 HydrophobicContact CD2-CG2 3.98Å; F234-V236 HydrophobicContact CE2-CG2 3.81Å; F234-F257 HydrophobicContact CD1-CB 3.92Å; F234-F257 HydrophobicContact CD2-CB 4.32Å; F234-F257 HydrophobicContact CD2-CD2 4.38Å; F234-F257 HydrophobicContact CE1-CB 3.35Å; F234-F257 HydrophobicContact CE1-CG 4.38Å; F234-F257 HydrophobicContact CE2-CB 3.83Å; F234-F257 AromaticContact CE2-CD2 3.64Å; F234-F257 HydrophobicContact CE2-CD2 3.64Å; F234-F257 HydrophobicContact CE2-CG 4.15Å; F234-F257 HydrophobicContact CG-CB 4.38Å; F234-F257 HydrophobicContact CZ-CB 3.32Å; F234-F257 AromaticContact CZ-CD2 3.81Å; F234-F257 HydrophobicContact CZ-CD2 3.81Å; F234-F257 AromaticContact CZ-CG 3.87Å; F234-F257 HydrophobicContact CZ-CG 3.87Å; F234-F257 PolarHBondContact N-O 3.44Å; F234-F257 PolarHBondContact O-N 2.98Å; F234-K259 HydrophobicContact CD1-CB 4.2Å; F234-K259 HydrophobicContact CE1-CB 3.91Å |
| 235 | N | 90.3 | Very high | 86.2 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.6 | -176.8 | -49.8 | 109.9 | 0 | 0 | 0 | 111.4 | R189 Q191 L255 N256 | R189-N235 HydrophobicContact CG-CB 4.17Å; Q191-N235 PolarHBondContact N-O 2.77Å; Q191-N235 PolarHBondContact O-N 3.48Å; N235-L255 WeakPolarHBondContact CA-O 3.25Å; N235-N256 PolarHBondContact ND2-OD1 3.29Å |
| 236 | V | 89.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.4 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | F187 R189 L190 I220 F234 L255 F257 | F187-V236 HydrophobicContact CD1-CG1 4.19Å; F187-V236 HydrophobicContact CE1-CG1 4.2Å; R189-V236 CarbonylContact O-C 3.56Å; R189-V236 WeakPolarHBondContact O-CA 3.36Å; L190-V236 HydrophobicContact CD2-CG1 4.14Å; L190-V236 HydrophobicContact CD2-CG2 4.32Å; I220-V236 HydrophobicContact CD1-CG1 4.37Å; F234-V236 HydrophobicContact CD2-CG2 3.98Å; F234-V236 HydrophobicContact CE2-CG2 3.81Å; V236-L255 PolarHBondContact N-O 3.38Å; V236-L255 PolarHBondContact O-N 3.42Å; V236-F257 HydrophobicContact CB-CE2 4.43Å; V236-F257 HydrophobicContact CG2-CD2 4.32Å; V236-F257 HydrophobicContact CG2-CE2 4.35Å |
| 237 | G | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F187 D188 R189 I253 | F187-G237 VanDerWaalsContact CA-O 3.3Å; F187-G237 WeakPolarHBondContact CA-O 3.23Å; D188-G237 PolarHBondContact N-O 3.26Å; D188-G237 VanDerWaalsContact OD1-C 3.31Å; D188-G237 WeakPolarHBondContact OD1-CA 3.35Å; R189-G237 PolarHBondContact O-N 3.24Å; G237-I253 WeakPolarHBondContact CA-O 3.38Å |
| 238 | L | 93.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 112 | 177.5 | 176.2 | 60.3 | 0 | 0 | 0 | 110.7 | L119 F187 I240 P252 I253 | L119-L238 HydrophobicContact CD2-CD2 3.77Å; F187-L238 HydrophobicContact CD1-CB 4.4Å; F187-L238 HydrophobicContact CD1-CD1 4.18Å; F187-L238 HydrophobicContact CD2-CD1 4.19Å; F187-L238 HydrophobicContact CE1-CB 4.26Å; F187-L238 HydrophobicContact CE1-CD1 3.96Å; F187-L238 HydrophobicContact CE1-CG 4.47Å; F187-L238 HydrophobicContact CE2-CD1 3.95Å; F187-L238 HydrophobicContact CG-CD1 4.3Å; F187-L238 HydrophobicContact CZ-CD1 3.83Å; F187-L238 HydrophobicContact CZ-CD2 4.48Å; L238-I240 HydrophobicContact CD1-CG1 4.33Å; L238-I240 HydrophobicContact CD2-CD1 4.25Å; L238-I240 HydrophobicContact CG-CD1 4.39Å; L238-I240 HydrophobicContact CG-CG1 4.13Å; L238-P252 CarbonylContact O-C 3.58Å; L238-P252 WeakPolarHBondContact O-CA 3.02Å; L238-I253 PolarHBondContact N-O 3.42Å; L238-I253 PolarHBondContact O-N 2.84Å |
| 239 | K | 94.8 | Very high | 90.2 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.2 | 173.2 | -170.5 | -177.5 | -177.1 | -172.6 | 0 | 109.7 | Y185 D186 Q241 P252 | Y185-K239 CarbonylContact C-O 3.59Å; Y185-K239 WeakPolarHBondContact CA-O 2.94Å; D186-K239 HydrophobicContact CB-CB 4.34Å; D186-K239 PolarHBondContact N-O 2.97Å; D186-K239 PolarHBondContact O-N 2.89Å; K239-Q241 VanDerWaalsContact CE-CD 3.49Å; K239-Q241 HydrophobicContact CG-CG 4.25Å; K239-P252 HydrophobicContact CB-CB 4.24Å |
| 240 | I | 94.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.5 | 176.8 | -57.3 | -177.6 | 0 | 0 | 0 | 109 | I117 I145 Y183 F184 I211 L238 P247 L248 T251 | I117-I240 HydrophobicContact CD1-CD1 3.63Å; I117-I240 HydrophobicContact CD1-CG2 3.88Å; I145-I240 HydrophobicContact CD1-CD1 3.31Å; Y183-I240 HydrophobicContact CD1-CG2 4.21Å; F184-I240 CarbonylContact O-C 3.58Å; F184-I240 WeakPolarHBondContact O-CA 3.46Å; I211-I240 HydrophobicContact CD1-CD1 4.36Å; I211-I240 HydrophobicContact CD1-CG2 4.14Å; L238-I240 HydrophobicContact CD1-CG1 4.33Å; L238-I240 HydrophobicContact CD2-CD1 4.25Å; L238-I240 HydrophobicContact CG-CD1 4.39Å; L238-I240 HydrophobicContact CG-CG1 4.13Å; I240-P247 WeakPolarHBondContact O-CA 3.44Å; I240-L248 HydrophobicContact CB-CB 4.24Å; I240-L248 HydrophobicContact CG2-CB 4.27Å; I240-L248 HydrophobicContact CG2-CD2 4.32Å; I240-L248 PolarHBondContact O-N 3Å; I240-T251 HydrophobicContact CB-CG2 4.1Å; I240-T251 HydrophobicContact CG1-CG2 4.37Å; I240-T251 PolarHBondContact O-OG1 3.21Å |
| 241 | Q | 94.6 | Very high | 90.9 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.3 | -177.4 | -60.9 | 178.4 | -74.5 | 0 | 0 | 111 | Y183 F184 K239 N245 K246 P247 | Y183-Q241 CarbonylContact C-O 3.59Å; Y183-Q241 WeakPolarHBondContact CA-O 3.32Å; F184-Q241 PolarHBondContact N-O 3.43Å; F184-Q241 PolarHBondContact O-N 2.9Å; K239-Q241 VanDerWaalsContact CE-CD 3.49Å; K239-Q241 HydrophobicContact CG-CG 4.25Å; Q241-N245 PolarHBondContact NE2-O 2.86Å; Q241-K246 CarbonylContact C-O 3.59Å; Q241-K246 WeakPolarHBondContact CA-O 3.21Å; Q241-P247 HydrophobicContact CG-CB 4.44Å |
| 242 | T | 92.3 | Very high | 91.1 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 172.2 | 170.3 | 66 | 0 | 0 | 0 | 0 | 110.7 | Y183 H244 N245 K246 | Y183-T242 HydrophobicContact CD1-CG2 4.3Å; Y183-T242 HydrophobicContact CE1-CG2 3.98Å; T242-H244 PolarHBondContact O-N 3.04Å; T242-H244 PolarHBondContact OG1-N 2.89Å; T242-N245 PolarHBondContact O-N 3.05Å; T242-K246 PolarHBondContact N-O 3.22Å; T242-K246 WeakPolarHBondContact OG1-CB 3.23Å; T242-K246 PolarHBondContact OG1-N 2.83Å; T242-K246 PolarHBondContact OG1-O 2.94Å |
| 243 | R | 89.9 | Confident | 91 | Very high | 169 Ų | 169 | 54.4 Ų | 54.4 | 64% | 0.638 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26 | 172.4 | -173 | -177.8 | -179.7 | -168.3 | -0.3 | 114 | F184 N245 | F184-R243 HydrophobicContact CE2-CB 4.18Å; F184-R243 HydrophobicContact CE2-CG 4.45Å; R243-N245 VanDerWaalsContact C-N 3.28Å; R243-N245 PolarHBondContact O-N 3.12Å |
| 244 | H | 91.4 | Very high | 90.7 | Very high | 161 Ų | 161 | 57 Ų | 57 | 75% | 0.745 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 22 | 179.1 | -57.9 | -71 | 0 | 0 | 0 | 112.6 | T242 K246 | T242-H244 PolarHBondContact O-N 3.04Å; T242-H244 PolarHBondContact OG1-N 2.89Å; H244-K246 PolarHBondContact O-N 2.82Å |
| 245 | N | 89.4 | Confident | 90.3 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 58.8 | 6.9 | -177.3 | -61.6 | -27.8 | 0 | 0 | 0 | 115.4 | Q241 T242 R243 | Q241-N245 PolarHBondContact NE2-O 2.86Å; T242-N245 PolarHBondContact O-N 3.05Å; R243-N245 VanDerWaalsContact C-N 3.28Å; R243-N245 PolarHBondContact O-N 3.12Å |
| 246 | K | 92.8 | Very high | 89.9 | Confident | 150 Ų | 150 | 61.8 Ų | 61.8 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 123 | 174.9 | -172.2 | 176.3 | -178.5 | 173.6 | 0 | 109.7 | Q241 T242 H244 | Q241-K246 CarbonylContact C-O 3.59Å; Q241-K246 WeakPolarHBondContact CA-O 3.21Å; T242-K246 PolarHBondContact N-O 3.22Å; T242-K246 WeakPolarHBondContact OG1-CB 3.23Å; T242-K246 PolarHBondContact OG1-N 2.83Å; T242-K246 PolarHBondContact OG1-O 2.94Å; H244-K246 PolarHBondContact O-N 2.82Å |
| 247 | P | 92.4 | Very high | 89.6 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 144.8 | 177 | 28 | -33.6 | 0 | 0 | 0 | 111.4 | I240 Q241 | I240-P247 WeakPolarHBondContact O-CA 3.44Å; Q241-P247 HydrophobicContact CG-CB 4.44Å |
| 248 | L | 92.2 | Very high | 89.3 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 9% | 0.089 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -70 | 136.9 | 172 | -172.5 | 71.9 | 0 | 0 | 0 | 108.9 | I117 I145 Y183 I240 G250 T251 | I117-L248 HydrophobicContact CG2-CD2 3.84Å; I145-L248 HydrophobicContact CD1-CD2 4.35Å; I145-L248 HydrophobicContact CG2-CD2 4.26Å; Y183-L248 HydrophobicContact CE1-CD1 4.2Å; I240-L248 HydrophobicContact CB-CB 4.24Å; I240-L248 HydrophobicContact CG2-CB 4.27Å; I240-L248 HydrophobicContact CG2-CD2 4.32Å; I240-L248 PolarHBondContact O-N 3Å; L248-G250 PolarHBondContact O-N 3.43Å; L248-T251 HydrophobicContact CB-CG2 4.01Å; L248-T251 HydrophobicContact CD2-CG2 4.37Å; L248-T251 PolarHBondContact N-OG1 3.42Å; L248-T251 WeakPolarHBondContact O-CB 3.24Å; L248-T251 PolarHBondContact O-N 3.3Å; L248-T251 PolarHBondContact O-OG1 2.86Å |
| 249 | S | 89.5 | Confident | 88.9 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 70% | 0.699 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 126.1 | 179.8 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | V150 | V150-S249 WeakPolarHBondContact CG2-O 2.87Š|
| 250 | G | 85.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 3.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L248 | L248-G250 PolarHBondContact O-N 3.43Š|
| 251 | T | 88.8 | Confident | 87.6 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | trans | -108 | 149.5 | 170.6 | 72.2 | 0 | 0 | 0 | 0 | 110.8 | V150 I240 L248 I253 | V150-T251 HydrophobicContact CG2-CG2 4.18Å; I240-T251 HydrophobicContact CB-CG2 4.1Å; I240-T251 HydrophobicContact CG1-CG2 4.37Å; I240-T251 PolarHBondContact O-OG1 3.21Å; L248-T251 HydrophobicContact CB-CG2 4.01Å; L248-T251 HydrophobicContact CD2-CG2 4.37Å; L248-T251 PolarHBondContact N-OG1 3.42Å; L248-T251 WeakPolarHBondContact O-CB 3.24Å; L248-T251 PolarHBondContact O-N 3.3Å; L248-T251 PolarHBondContact O-OG1 2.86Å; T251-I253 HydrophobicContact CG2-CD1 4.42Å; T251-I253 HydrophobicContact CG2-CG1 4.03Å | ||
| 252 | P | 89.2 | Confident | 86.5 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | S | Bend | cis | -70.2 | 135.1 | 5.5 | 29.2 | -34.3 | 0 | 0 | 0 | 112.8 | L238 K239 | L238-P252 CarbonylContact O-C 3.58Å; L238-P252 WeakPolarHBondContact O-CA 3.02Å; K239-P252 HydrophobicContact CB-CB 4.24Å |
| 253 | I | 87.4 | Confident | 85.2 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.3 | 171.8 | -53.7 | 177.8 | 0 | 0 | 0 | 106.4 | I145 V150 L154 G237 L238 T251 L255 | I145-I253 HydrophobicContact CD1-CD1 3.91Å; I145-I253 HydrophobicContact CG1-CD1 4.04Å; V150-I253 HydrophobicContact CG1-CD1 4.26Å; V150-I253 HydrophobicContact CG1-CG1 4.44Å; V150-I253 HydrophobicContact CG2-CD1 4.21Å; V150-I253 HydrophobicContact CG2-CG1 4.45Å; L154-I253 HydrophobicContact CD1-CG2 4.49Å; G237-I253 WeakPolarHBondContact CA-O 3.38Å; L238-I253 PolarHBondContact N-O 3.42Å; L238-I253 PolarHBondContact O-N 2.84Å; T251-I253 HydrophobicContact CG2-CD1 4.42Å; T251-I253 HydrophobicContact CG2-CG1 4.03Å; I253-L255 HydrophobicContact CG2-CD1 4.1Å; I253-L255 HydrophobicContact CG2-CD2 3.81Å; I253-L255 HydrophobicContact CG2-CG 3.83Å |
| 254 | R | 84.8 | Confident | 83.7 | Confident | 103 Ų | 103 | 59.2 Ų | 59.2 | 39% | 0.389 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 114 | 179.9 | -61.3 | -62.4 | -172.5 | -166 | -7 | 108.3 | D188 | D188-R254 IonicContact OD1-CZ 3.63Å; D188-R254 IonicContact OD1-NH1 2.71Å; D188-R254 PolarHBondContact OD1-NH1 3.39Å; D188-R254 IonicContact OD1-NH2 3.87Å; D188-R254 IonicContact OD2-CZ 3.2Å; D188-R254 IonicContact OD2-NH1 2.97Å; D188-R254 PolarHBondContact OD2-NH1 3.31Å; D188-R254 IonicContact OD2-NH2 2.67Å; D188-R254 PolarHBondContact OD2-NH2 2.83Å |
| 255 | L | 81.3 | Confident | 81.5 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135 | -177.6 | -55.1 | 172.3 | 0 | 0 | 0 | 109.2 | L154 N235 V236 I253 F257 | L154-L255 HydrophobicContact CD2-CD2 3.7Å; N235-L255 WeakPolarHBondContact CA-O 3.25Å; V236-L255 PolarHBondContact N-O 3.38Å; V236-L255 PolarHBondContact O-N 3.42Å; I253-L255 HydrophobicContact CG2-CD1 4.1Å; I253-L255 HydrophobicContact CG2-CD2 3.81Å; I253-L255 HydrophobicContact CG2-CG 3.83Å; L255-F257 HydrophobicContact CB-CD2 4.03Å; L255-F257 HydrophobicContact CB-CE1 4.4Å; L255-F257 HydrophobicContact CB-CE2 3.31Å; L255-F257 HydrophobicContact CB-CZ 3.55Å; L255-F257 HydrophobicContact CD1-CE2 3.85Å; L255-F257 HydrophobicContact CD1-CZ 3.64Å; L255-F257 HydrophobicContact CG-CE2 4.18Å; L255-F257 HydrophobicContact CG-CZ 4.09Å |
| 256 | N | 82 | Confident | 79.3 | Confident | 96 Ų | 96 | 51.6 Ų | 51.6 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.4 | 176.1 | -56.7 | -29 | 0 | 0 | 0 | 106.7 | N235 | N235-N256 PolarHBondContact ND2-OD1 3.29Å |
| 257 | F | 83.9 | Confident | 77 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 157.5 | -175.6 | -64.1 | -66.3 | 0 | 0 | 0 | 110 | Y160 S233 F234 V236 L255 | Y160-F257 HydrophobicContact CD1-CE1 4.46Å; S233-F257 CarbonylContact C-O 3.49Å; S233-F257 WeakPolarHBondContact CA-O 3.47Å; F234-F257 HydrophobicContact CD1-CB 3.92Å; F234-F257 HydrophobicContact CD2-CB 4.32Å; F234-F257 HydrophobicContact CD2-CD2 4.38Å; F234-F257 HydrophobicContact CE1-CB 3.35Å; F234-F257 HydrophobicContact CE1-CG 4.38Å; F234-F257 HydrophobicContact CE2-CB 3.83Å; F234-F257 AromaticContact CE2-CD2 3.64Å; F234-F257 HydrophobicContact CE2-CD2 3.64Å; F234-F257 HydrophobicContact CE2-CG 4.15Å; F234-F257 HydrophobicContact CG-CB 4.38Å; F234-F257 HydrophobicContact CZ-CB 3.32Å; F234-F257 AromaticContact CZ-CD2 3.81Å; F234-F257 HydrophobicContact CZ-CD2 3.81Å; F234-F257 AromaticContact CZ-CG 3.87Å; F234-F257 HydrophobicContact CZ-CG 3.87Å; F234-F257 PolarHBondContact N-O 3.44Å; F234-F257 PolarHBondContact O-N 2.98Å; V236-F257 HydrophobicContact CB-CE2 4.43Å; V236-F257 HydrophobicContact CG2-CD2 4.32Å; V236-F257 HydrophobicContact CG2-CE2 4.35Å; L255-F257 HydrophobicContact CB-CD2 4.03Å; L255-F257 HydrophobicContact CB-CE1 4.4Å; L255-F257 HydrophobicContact CB-CE2 3.31Å; L255-F257 HydrophobicContact CB-CZ 3.55Å; L255-F257 HydrophobicContact CD1-CE2 3.85Å; L255-F257 HydrophobicContact CD1-CZ 3.64Å; L255-F257 HydrophobicContact CG-CE2 4.18Å; L255-F257 HydrophobicContact CG-CZ 4.09Å |
| 258 | K | 84.9 | Confident | 74.3 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.7 | 169.5 | -67.4 | 175.3 | -178.2 | 172.3 | 0 | 108.7 | N161 V164 I165 T231 A232 | N161-K258 PolarHBondContact O-NZ 2.94Å; V164-K258 HydrophobicContact CB-CB 4.35Å; V164-K258 HydrophobicContact CG1-CB 4.22Å; V164-K258 HydrophobicContact CG2-CB 3.96Å; V164-K258 HydrophobicContact CG2-CD 4.14Å; I165-K258 PolarHBondContact N-O 2.81Å; T231-K258 HydrophobicContact CG2-CB 3.91Å; T231-K258 HydrophobicContact CG2-CG 4.44Å; A232-K258 CarbonylContact O-C 3.52Å; A232-K258 WeakPolarHBondContact O-CA 3.14Å |
| 259 | K | 84 | Confident | 71.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.2 | 174.9 | 173.7 | 59.8 | 165 | 75 | 0 | 108.3 | I165 P166 S167 V169 L198 L222 T231 A232 F234 | I165-K259 HydrophobicContact CB-CD 3.78Å; I165-K259 HydrophobicContact CG2-CD 3.63Å; I165-K259 WeakPolarHBondContact O-CA 3.4Å; I165-K259 VanDerWaalsContact O-CD 3.32Å; I165-K259 WeakPolarHBondContact O-CD 2.93Å; P166-K259 VanDerWaalsContact O-CE 3.23Å; P166-K259 WeakPolarHBondContact O-CE 3.32Å; P166-K259 PolarHBondContact O-NZ 2.73Å; S167-K259 PolarHBondContact O-NZ 3.38Å; V169-K259 WeakPolarHBondContact O-CE 3.36Å; L198-K259 HydrophobicContact CD1-CB 4.35Å; L198-K259 HydrophobicContact CD1-CG 3.81Å; L198-K259 HydrophobicContact CD2-CB 4.05Å; L198-K259 HydrophobicContact CD2-CG 4.42Å; L222-K259 HydrophobicContact CD1-CD 4.29Å; T231-K259 CarbonylContact C-O 3.52Å; T231-K259 WeakPolarHBondContact CA-O 3.21Å; A232-K259 PolarHBondContact N-O 3.23Å; A232-K259 PolarHBondContact O-N 3.28Å; F234-K259 HydrophobicContact CD1-CB 4.2Å; F234-K259 HydrophobicContact CE1-CB 3.91Å |
| 260 | E | 82.3 | Confident | 69.5 | Low | 45 Ų | 45 | 58.8 Ų | 58.8 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.9 | 166.5 | -174.4 | 180 | -174.9 | 0 | 0 | 109 | V164 I165 S167 G230 | V164-E260 HydrophobicContact CG1-CB 3.95Å; I165-E260 PolarHBondContact O-N 2.93Å; S167-E260 VanDerWaalsContact CA-O 3.25Å; S167-E260 WeakPolarHBondContact CA-O 3.08Å; G230-E260 CarbonylContact O-C 3.51Å |
| 261 | C | 80.8 | Confident | 67.6 | Low | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123 | 168.8 | -73.7 | 0 | 0 | 0 | 0 | 107.2 | I197 C224 S229 G230 | I197-C261 HydrophobicContact CG2-CB 3.67Å; C224-C261 VanDerWaalsContact CA-SG 3.55Å; C224-C261 HydrophobicContact CB-CB 3.66Å; C224-C261 WeakPolarHBondContact CB-SG 3.4Å; C224-C261 VanDerWaalsContact SG-CA 3.56Å; C224-C261 WeakPolarHBondContact SG-CB 3.21Å; C224-C261 CovalentContact SG-SG 2.04Å; C224-C261 PolarHBondContact SG-SG 2.76Å; S229-C261 CarbonylContact C-O 3.52Å; S229-C261 VanDerWaalsContact CA-O 3.24Å; S229-C261 WeakPolarHBondContact CA-O 3.43Å; G230-C261 PolarHBondContact N-O 3.44Å; G230-C261 PolarHBondContact O-N 3.48Å |
| 262 | A | 71.6 | Confident | 65.6 | Low | 10 Ų | 10 | 66.1 Ų | 66.1 | 8% | 0.083 | 37% | 0.366 | C | S | . | . | trans | -96.6 | 135.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | R264 | A262-R264 HydrophobicContact CB-CG 4.41Å; A262-R264 PolarHBondContact O-N 3.35Å | ||
| 263 | H | 64.3 | Low | 63.3 | Low | 76 Ų | 76 | 68.3 Ų | 68.3 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | trans | -62.4 | 83.9 | 163.2 | -178.6 | 77 | 0 | 0 | 0 | 107.8 | G226 S229 Q312 | G226-H263 PolarHBondContact O-CE1 2.81Å; G226-H263 VanDerWaalsContact O-CE1 3.28Å; G226-H263 PolarHBondContact O-ND1 2.67Å; S229-H263 WeakPolarHBondContact OG-CB 3.32Å; S229-H263 PolarHBondContact OG-N 3.47Å; H263-Q312 WeakPolarHBondContact O-CG 3.12Å; H263-Q312 PolarHBondContact O-NE2 2.55Å; H263-Q312 PolarHBondContact O-OE1 2.67Å | ||
| 264 | R | 59 | Low | 61.1 | Low | 24 Ų | 24 | 73.4 Ų | 73.4 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | trans | -83.1 | 123.4 | 161.5 | -65 | -175.3 | 169.1 | 113.5 | 3.4 | 103.8 | S167 E168 A262 V266 G311 | S167-R264 VanDerWaalsContact C-NH1 3.28Å; S167-R264 PolarHBondContact O-NH1 2.97Å; S167-R264 PolarHBondContact OG-NH1 3.31Å; S167-R264 PolarHBondContact OG-NH2 2.67Å; E168-R264 IonicContact OE1-CZ 3.67Å; E168-R264 IonicContact OE1-NH1 2.72Å; E168-R264 IonicContact OE1-NH2 4Å; E168-R264 PolarHBondContact OE1-NH2 3.07Å; A262-R264 HydrophobicContact CB-CG 4.41Å; A262-R264 PolarHBondContact O-N 3.35Å; R264-V266 PolarHBondContact O-N 2.6Å; R264-G311 PolarHBondContact NH2-O 2.86Å | ||
| 265 | G | 46.5 | Very low | 58.8 | Low | 47 Ų | 47 | 74 Ų | 74 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -64 | 46.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 266 | V | 42.1 | Very low | 57 | Low | 73 Ų | 73 | 77.4 Ų | 77.4 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | trans | -156.5 | 103.3 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | R264 I302 | R264-V266 PolarHBondContact O-N 2.6Å; V266-I302 HydrophobicContact CB-CD1 4.37Å; V266-I302 HydrophobicContact CG2-CD1 4.14Å; V266-I302 HydrophobicContact CG2-CG1 4.19Å | ||
| 267 | Y | 45.6 | Very low | 55.3 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | trans | -157.4 | 130.7 | 146.3 | -60.5 | -67.2 | 0 | 0 | 0 | 105.9 | ||||
| 268 | D | 34.7 | Very low | 53 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | -139.3 | 140.2 | 60.5 | -83.7 | -46 | 0 | 0 | 0 | 112.8 | |||||
| 269 | I | 40.5 | Very low | 50.8 | Low | 158 Ų | 158 | 86.8 Ų | 86.8 | 81% | 0.81 | 52% | 0.515 | S | S | * | . | trans | -102.2 | 102.4 | 140.2 | -52.1 | 173.1 | 0 | 0 | 0 | 104.2 | A271 | I269-A271 PolarHBondContact O-N 3.23Š| ||
| 270 | D | 40.4 | Very low | 48.9 | Very low | 103 Ų | 103 | 93.5 Ų | 93.5 | 55% | 0.551 | 55% | 0.55 | S | S | * | * | trans | -58.4 | 110.9 | 171.1 | -147.7 | 12.9 | 0 | 0 | 0 | 107.2 | S272 N273 | D270-S272 PolarHBondContact O-N 2.8Å; D270-N273 PolarHBondContact O-N 2.92Å | ||
| 271 | A | 45.2 | Very low | 47.1 | Very low | 110 Ų | 110 | 100.3 Ų | 100.3 | 91% | 0.909 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 6.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I269 | I269-A271 PolarHBondContact O-N 3.23Š|
| 272 | S | 48 | Very low | 45.5 | Very low | 95 Ų | 95 | 103.8 Ų | 103.8 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -22.1 | 179.6 | 36 | 0 | 0 | 0 | 0 | 115.2 | D270 | D270-S272 PolarHBondContact O-N 2.8Š|
| 273 | N | 39.2 | Very low | 44.8 | Very low | 102 Ų | 102 | 106.4 Ų | 106.4 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | trans | -161.9 | 102.4 | -176.6 | -151.4 | -3.6 | 0 | 0 | 0 | 114.6 | D270 T275 | D270-N273 PolarHBondContact O-N 2.92Å; N273-T275 VanDerWaalsContact C-N 3.3Å; N273-T275 PolarHBondContact O-N 3.43Å; N273-T275 VanDerWaalsContact O-N 3.17Å; N273-T275 PolarHBondContact OD1-OG1 2.85Å | ||
| 274 | P | 42 | Very low | 44.7 | Very low | 119 Ų | 119 | 104.6 Ų | 104.6 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 14.7 | -171.3 | 30.8 | -34.3 | 0 | 0 | 0 | 116.4 | ||
| 275 | T | 37.2 | Very low | 44.9 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 3.7 | -170.6 | 43 | 0 | 0 | 0 | 0 | 116.9 | N273 | N273-T275 VanDerWaalsContact C-N 3.3Å; N273-T275 PolarHBondContact O-N 3.43Å; N273-T275 VanDerWaalsContact O-N 3.17Å; N273-T275 PolarHBondContact OD1-OG1 2.85Å |
| 276 | S | 42.7 | Very low | 46.3 | Very low | 104 Ų | 104 | 110.9 Ų | 110.9 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -96.4 | 100.7 | 174.5 | -118.6 | 0 | 0 | 0 | 0 | 111.1 | T278 | S276-T278 VanDerWaalsContact C-N 3.31Å; S276-T278 PolarHBondContact O-N 3.32Å | ||
| 277 | L | 47 | Very low | 47.9 | Very low | 160 Ų | 160 | 107.4 Ų | 107.4 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | trans | -71.5 | 82.4 | 172.8 | -165.6 | 81.1 | 0 | 0 | 0 | 109.5 | L280 | L277-L280 HydrophobicContact CD1-CD1 4.15Š| ||
| 278 | T | 34.3 | Very low | 49.4 | Very low | 113 Ų | 113 | 106.9 Ų | 106.9 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | trans | -90.7 | 117.4 | 167.8 | 34.4 | 0 | 0 | 0 | 0 | 109.7 | S276 L280 | S276-T278 VanDerWaalsContact C-N 3.31Å; S276-T278 PolarHBondContact O-N 3.32Å; T278-L280 PolarHBondContact O-N 3.43Å | ||
| 279 | T | 40.4 | Very low | 51.5 | Low | 141 Ų | 141 | 108 Ų | 108 | 87% | 0.865 | 64% | 0.643 | S | S | * | * | trans | -2.8 | 94.2 | 170.8 | 40.5 | 0 | 0 | 0 | 0 | 116.2 | Q281 | T279-Q281 PolarHBondContact O-N 3.3Š| ||
| 280 | L | 43.7 | Very low | 53.4 | Low | 141 Ų | 141 | 104.4 Ų | 104.4 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.4 | 168.4 | -73.7 | 108.9 | 0 | 0 | 0 | 110.3 | L277 T278 A282 | L277-L280 HydrophobicContact CD1-CD1 4.15Å; T278-L280 PolarHBondContact O-N 3.43Å; L280-A282 PolarHBondContact O-N 3.07Å |
| 281 | Q | 43.2 | Very low | 55.3 | Low | 187 Ų | 187 | 99.6 Ų | 99.6 | 87% | 0.874 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 119.9 | 155.8 | -142.1 | 145.8 | -21.5 | 0 | 0 | 106.2 | T279 | T279-Q281 PolarHBondContact O-N 3.3Š|
| 282 | A | 48.8 | Very low | 56.9 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 63% | 0.628 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 152.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L280 D284 | L280-A282 PolarHBondContact O-N 3.07Å; A282-D284 PolarHBondContact O-N 3.32Å |
| 283 | P | 56 | Low | 58.7 | Low | 65 Ų | 65 | 101.8 Ų | 101.8 | 42% | 0.422 | 59% | 0.587 | S | S | . | * | trans | -44 | 137.4 | 169.9 | 13.7 | -28.3 | 0 | 0 | 0 | 111.3 | P285 H301 | P283-P285 WeakPolarHBondContact O-CD 3.48Å; P283-H301 HydrophobicContact CB-CB 3.46Å; P283-H301 VanDerWaalsContact CB-CB 3.46Å; P283-H301 WeakPolarHBondContact CB-CD2 3.47Å; P283-H301 VanDerWaalsContact CB-CG 3.4Å | ||
| 284 | D | 61.5 | Low | 60.9 | Low | 37 Ų | 37 | 99.2 Ų | 99.2 | 20% | 0.198 | 57% | 0.574 | C | S | . | * | trans | -58.5 | 104.2 | 177.8 | -175.5 | -12.3 | 0 | 0 | 0 | 108.2 | A282 E286 C287 K290 Y313 | A282-D284 PolarHBondContact O-N 3.32Å; D284-E286 PolarHBondContact O-N 2.9Å; D284-E286 VanDerWaalsContact O-N 3.09Å; D284-E286 PolarHBondContact OD1-N 3.22Å; D284-C287 HydrophobicContact CB-CB 4.17Å; D284-C287 VanDerWaalsContact O-CB 3.25Å; D284-C287 WeakPolarHBondContact O-CB 3.48Å; D284-C287 PolarHBondContact O-N 3.48Å; D284-C287 PolarHBondContact OD1-N 3.22Å; D284-K290 IonicContact OD1-NZ 3.81Å; D284-K290 IonicContact OD2-NZ 2.66Å; D284-Y313 VanDerWaalsContact OD2-CE1 3.23Å; D284-Y313 WeakPolarHBondContact OD2-CE1 3.44Å; D284-Y313 PolarHBondContact OD2-OH 2.04Å | ||
| 285 | P | 64.3 | Low | 63 | Low | 111 Ų | 111 | 94.2 Ų | 94.2 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.3 | -172.6 | 29 | -32.1 | 0 | 0 | 0 | 110.8 | P283 | P283-P285 WeakPolarHBondContact O-CD 3.48Š|
| 286 | E | 75.5 | Confident | 65.3 | Low | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 13.1 | 179 | -58.9 | -179.3 | 154.8 | 0 | 0 | 112.3 | D284 S288 L289 K290 | D284-E286 PolarHBondContact O-N 2.9Å; D284-E286 VanDerWaalsContact O-N 3.09Å; D284-E286 PolarHBondContact OD1-N 3.22Å; E286-S288 PolarHBondContact O-N 3.49Å; E286-L289 HydrophobicContact CB-CB 4.46Å; E286-L289 HydrophobicContact CB-CD1 4.25Å; E286-L289 HydrophobicContact CG-CD1 4.28Å; E286-L289 WeakPolarHBondContact O-CA 3.4Å; E286-L289 WeakPolarHBondContact O-CB 3.23Å; E286-L289 PolarHBondContact O-N 2.94Å; E286-K290 HydrophobicContact CB-CD 4.38Å; E286-K290 HydrophobicContact CB-CG 4.45Å; E286-K290 PolarHBondContact O-N 2.04Å; E286-K290 WeakPolarHBondContact OE2-CE 3.28Å; E286-K290 IonicContact OE2-NZ 2.77Å; E286-K290 PolarHBondContact OE2-NZ 2.94Å |
| 287 | C | 75.9 | Confident | 67.3 | Low | 1 Ų | 1 | 92.1 Ų | 92.1 | 1% | 0.007 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -51.5 | -43.8 | 177.4 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | D284 L289 K290 C291 C297 H301 | D284-C287 HydrophobicContact CB-CB 4.17Å; D284-C287 VanDerWaalsContact O-CB 3.25Å; D284-C287 WeakPolarHBondContact O-CB 3.48Å; D284-C287 PolarHBondContact O-N 3.48Å; D284-C287 PolarHBondContact OD1-N 3.22Å; C287-L289 PolarHBondContact O-N 2.84Å; C287-K290 PolarHBondContact O-N 2.79Å; C287-C291 VanDerWaalsContact O-CB 3.32Å; C287-C291 WeakPolarHBondContact O-CB 3.44Å; C287-C291 PolarHBondContact O-N 3.4Å; C287-C297 HydrophobicContact CB-CB 4.15Å; C287-C297 WeakPolarHBondContact CB-SG 3.14Å; C287-C297 WeakPolarHBondContact SG-CB 3.29Å; C287-C297 CovalentContact SG-SG 2.03Å; C287-C297 PolarHBondContact SG-SG 3.33Å; C287-H301 HydrophobicContact CB-CB 4.14Å; C287-H301 PolarHBondContact SG-O 3.03Å; C287-H301 VanDerWaalsContact SG-O 3.35Å |
| 288 | S | 76.1 | Confident | 68.8 | Low | 97 Ų | 97 | 86.3 Ų | 86.3 | 68% | 0.678 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.9 | -23.9 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | E286 | E286-S288 PolarHBondContact O-N 3.49Å |
| 289 | L | 79.3 | Confident | 70.5 | Confident | 139 Ų | 139 | 89.6 Ų | 89.6 | 73% | 0.728 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -88.3 | -42.1 | 176.5 | -67.8 | 163.8 | 0 | 0 | 0 | 111.4 | E286 C287 | E286-L289 HydrophobicContact CB-CB 4.46Å; E286-L289 HydrophobicContact CB-CD1 4.25Å; E286-L289 HydrophobicContact CG-CD1 4.28Å; E286-L289 WeakPolarHBondContact O-CA 3.4Å; E286-L289 WeakPolarHBondContact O-CB 3.23Å; E286-L289 PolarHBondContact O-N 2.94Å; C287-L289 PolarHBondContact O-N 2.84Å |
| 290 | K | 80.9 | Confident | 71.8 | Confident | 84 Ų | 84 | 88.8 Ų | 88.8 | 37% | 0.365 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -79.7 | -31.1 | -173.2 | -67.3 | 177.4 | -175.7 | 148.5 | 0 | 113.7 | D284 E286 C287 G292 Y313 | D284-K290 IonicContact OD1-NZ 3.81Å; D284-K290 IonicContact OD2-NZ 2.66Å; E286-K290 HydrophobicContact CB-CD 4.38Å; E286-K290 HydrophobicContact CB-CG 4.45Å; E286-K290 PolarHBondContact O-N 2.04Å; E286-K290 WeakPolarHBondContact OE2-CE 3.28Å; E286-K290 IonicContact OE2-NZ 2.77Å; E286-K290 PolarHBondContact OE2-NZ 2.94Å; C287-K290 PolarHBondContact O-N 2.79Å; K290-G292 PolarHBondContact O-N 3.19Å; K290-Y313 HydrophobicContact CB-CD1 3.34Å; K290-Y313 HydrophobicContact CB-CD2 4.4Å; K290-Y313 HydrophobicContact CB-CE1 3.5Å; K290-Y313 HydrophobicContact CB-CG 3.81Å; K290-Y313 HydrophobicContact CD-CD1 4.34Å; K290-Y313 HydrophobicContact CD-CE1 3.67Å; K290-Y313 HydrophobicContact CD-CE2 4.1Å; K290-Y313 HydrophobicContact CG-CD1 4.45Å; K290-Y313 HydrophobicContact CG-CE1 4.22Å; K290-Y313 WeakPolarHBondContact O-CB 3.44Å |
| 291 | C | 80.3 | Confident | 73 | Confident | 2 Ų | 2 | 85.8 Ų | 85.8 | 1% | 0.014 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -13.8 | 179.4 | -126.3 | 0 | 0 | 0 | 0 | 115.6 | C287 C303 Y313 | C287-C291 VanDerWaalsContact O-CB 3.32Å; C287-C291 WeakPolarHBondContact O-CB 3.44Å; C287-C291 PolarHBondContact O-N 3.4Å; C291-C303 WeakPolarHBondContact CA-SG 3.5Å; C291-C303 HydrophobicContact CB-CB 4.35Å; C291-C303 WeakPolarHBondContact CB-SG 3.02Å; C291-C303 WeakPolarHBondContact SG-CA 3.35Å; C291-C303 WeakPolarHBondContact SG-CB 3.4Å; C291-C303 CovalentContact SG-SG 2.02Å; C291-C303 PolarHBondContact SG-SG 3.39Å; C291-Y313 CarbonylContact C-O 3.5Å; C291-Y313 VanDerWaalsContact C-O 3.32Å; C291-Y313 WeakPolarHBondContact CA-O 3.47Å; C291-Y313 VanDerWaalsContact O-O 3.09Å |
| 292 | G | 78.6 | Confident | 74.3 | Confident | 49 Ų | 49 | 78.8 Ų | 78.8 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -160.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K290 N294 | K290-G292 PolarHBondContact O-N 3.19Å; G292-N294 VanDerWaalsContact C-N 3.34Å |
| 293 | K | 85 | Confident | 75.6 | Confident | 201 Ų | 201 | 75.5 Ų | 75.5 | 87% | 0.874 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.4 | 179.9 | -63 | 179.9 | 179.7 | 178.5 | 0 | 113.4 | ||
| 294 | N | 86.1 | Confident | 76.6 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -100.9 | 11.3 | -170.5 | -59.3 | -32 | 0 | 0 | 0 | 112.8 | G292 N306 Y309 C314 | G292-N294 VanDerWaalsContact C-N 3.34Å; N294-N306 VanDerWaalsContact O-CB 3.29Å; N294-N306 WeakPolarHBondContact O-CB 3.4Å; N294-N306 PolarHBondContact O-N 2.89Å; N294-Y309 HydrophobicContact CB-CD1 3.68Å; N294-Y309 HydrophobicContact CB-CD2 3.93Å; N294-Y309 HydrophobicContact CB-CE1 3.94Å; N294-Y309 HydrophobicContact CB-CE2 4.17Å; N294-Y309 HydrophobicContact CB-CG 3.67Å; N294-Y309 WeakPolarHBondContact ND2-CE1 3.38Å; N294-C314 HydrophobicContact CB-CB 4.14Å; N294-C314 WeakPolarHBondContact CB-O 3.35Å; N294-C314 PolarHBondContact ND2-O 3.48Å |
| 295 | G | 86.1 | Confident | 77.3 | Confident | 14 Ų | 14 | 76.4 Ų | 76.4 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | -178.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K304 | G295-K304 CarbonylContact C-O 3.56Å; G295-K304 WeakPolarHBondContact CA-O 3.37Å |
| 296 | Y | 85.7 | Confident | 78 | Confident | 145 Ų | 145 | 74.6 Ų | 74.6 | 57% | 0.569 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.7 | 173.5 | 68.1 | -85.4 | 0 | 0 | 0 | 110.2 | K304 | Y296-K304 HydrophobicContact CD1-CB 3.95Å; Y296-K304 HydrophobicContact CD2-CB 4.27Å; Y296-K304 HydrophobicContact CE1-CB 3.56Å; Y296-K304 HydrophobicContact CE1-CG 4.44Å; Y296-K304 HydrophobicContact CE2-CB 3.92Å; Y296-K304 HydrophobicContact CE2-CG 4.04Å; Y296-K304 HydrophobicContact CG-CB 4.29Å; Y296-K304 PolarHBondContact N-O 2.84Å; Y296-K304 WeakPolarHBondContact O-CB 3Å; Y296-K304 PolarHBondContact O-N 2.86Å |
| 297 | C | 85.6 | Confident | 77.8 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 130.4 | 175.4 | -167.2 | 0 | 0 | 0 | 0 | 110 | C287 H301 | C287-C297 HydrophobicContact CB-CB 4.15Å; C287-C297 WeakPolarHBondContact CB-SG 3.14Å; C287-C297 WeakPolarHBondContact SG-CB 3.29Å; C287-C297 CovalentContact SG-SG 2.03Å; C287-C297 PolarHBondContact SG-SG 3.33Å; C297-H301 VanDerWaalsContact SG-CA 3.53Å |
| 298 | N | 77.5 | Confident | 77.5 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | trans | -87.9 | 175.2 | 175.3 | 76.3 | -3.2 | 0 | 0 | 0 | 112.3 | H300 H301 I302 K304 | N298-H300 PolarHBondContact O-N 3.19Å; N298-H300 PolarHBondContact OD1-N 3.18Å; N298-H300 VanDerWaalsContact OD1-N 3.09Å; N298-H301 PolarHBondContact O-N 3.19Å; N298-H301 PolarHBondContact OD1-N 3.1Å; N298-I302 PolarHBondContact N-O 3.07Å; N298-I302 WeakPolarHBondContact OD1-CA 3.2Å; N298-I302 WeakPolarHBondContact OD1-CB 3.23Å; N298-I302 PolarHBondContact OD1-N 3.45Å; N298-I302 PolarHBondContact OD1-O 3.04Å; N298-I302 VanDerWaalsContact OD1-O 3.13Å; N298-K304 HydrophobicContact CB-CG 4.14Å; N298-K304 WeakPolarHBondContact ND2-CE 3.25Å | ||
| 299 | E | 70.6 | Confident | 77.5 | Confident | 182 Ų | 182 | 72.4 Ų | 72.4 | 85% | 0.85 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.5 | 179.3 | -63.6 | 175.1 | 175.9 | 0 | 0 | 114.5 | H301 | E299-H301 VanDerWaalsContact C-N 3.33Š|
| 300 | H | 66.6 | Low | 77 | Confident | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 12 | 179.1 | -60.2 | 75 | 0 | 0 | 0 | 112.1 | N298 I302 | N298-H300 PolarHBondContact O-N 3.19Å; N298-H300 PolarHBondContact OD1-N 3.18Å; N298-H300 VanDerWaalsContact OD1-N 3.09Å; H300-I302 VanDerWaalsContact C-N 3.25Å; H300-I302 HydrophobicContact CB-CD1 4.13Å; H300-I302 HydrophobicContact CB-CG1 4.28Å; H300-I302 PolarHBondContact O-N 3.48Å |
| 301 | H | 69.1 | Low | 76.5 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 57.7 | 36 | -175.4 | -59.2 | -94.3 | 0 | 0 | 0 | 113.8 | P283 C287 C297 N298 E299 | P283-H301 HydrophobicContact CB-CB 3.46Å; P283-H301 VanDerWaalsContact CB-CB 3.46Å; P283-H301 WeakPolarHBondContact CB-CD2 3.47Å; P283-H301 VanDerWaalsContact CB-CG 3.4Å; C287-H301 HydrophobicContact CB-CB 4.14Å; C287-H301 PolarHBondContact SG-O 3.03Å; C287-H301 VanDerWaalsContact SG-O 3.35Å; C297-H301 VanDerWaalsContact SG-CA 3.53Å; N298-H301 PolarHBondContact O-N 3.19Å; N298-H301 PolarHBondContact OD1-N 3.1Å; E299-H301 VanDerWaalsContact C-N 3.33Å |
| 302 | I | 70.8 | Confident | 76.1 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 21% | 0.205 | 33% | 0.326 | C | S | . | . | trans | -112.5 | 130.5 | 176.6 | -57.7 | 171.3 | 0 | 0 | 0 | 109.1 | V266 N298 H300 K304 | V266-I302 HydrophobicContact CB-CD1 4.37Å; V266-I302 HydrophobicContact CG2-CD1 4.14Å; V266-I302 HydrophobicContact CG2-CG1 4.19Å; N298-I302 PolarHBondContact N-O 3.07Å; N298-I302 WeakPolarHBondContact OD1-CA 3.2Å; N298-I302 WeakPolarHBondContact OD1-CB 3.23Å; N298-I302 PolarHBondContact OD1-N 3.45Å; N298-I302 PolarHBondContact OD1-O 3.04Å; N298-I302 VanDerWaalsContact OD1-O 3.13Å; H300-I302 VanDerWaalsContact C-N 3.25Å; H300-I302 HydrophobicContact CB-CD1 4.13Å; H300-I302 HydrophobicContact CB-CG1 4.28Å; H300-I302 PolarHBondContact O-N 3.48Å; I302-K304 PolarHBondContact O-N 3.41Å | ||
| 303 | C | 76.3 | Confident | 76 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.8 | 173.1 | -86.6 | 0 | 0 | 0 | 0 | 113.1 | C291 Q312 | C291-C303 WeakPolarHBondContact CA-SG 3.5Å; C291-C303 HydrophobicContact CB-CB 4.35Å; C291-C303 WeakPolarHBondContact CB-SG 3.02Å; C291-C303 WeakPolarHBondContact SG-CA 3.35Å; C291-C303 WeakPolarHBondContact SG-CB 3.4Å; C291-C303 CovalentContact SG-SG 2.02Å; C291-C303 PolarHBondContact SG-SG 3.39Å; C303-Q312 WeakPolarHBondContact CB-O 3.15Å |
| 304 | K | 77.8 | Confident | 75.7 | Confident | 92 Ų | 92 | 55 Ų | 55 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 109.2 | 171 | -64.7 | -59.5 | -175.6 | -175.9 | 0 | 108.7 | G295 Y296 N298 I302 | G295-K304 CarbonylContact C-O 3.56Å; G295-K304 WeakPolarHBondContact CA-O 3.37Å; Y296-K304 HydrophobicContact CD1-CB 3.95Å; Y296-K304 HydrophobicContact CD2-CB 4.27Å; Y296-K304 HydrophobicContact CE1-CB 3.56Å; Y296-K304 HydrophobicContact CE1-CG 4.44Å; Y296-K304 HydrophobicContact CE2-CB 3.92Å; Y296-K304 HydrophobicContact CE2-CG 4.04Å; Y296-K304 HydrophobicContact CG-CB 4.29Å; Y296-K304 PolarHBondContact N-O 2.84Å; Y296-K304 WeakPolarHBondContact O-CB 3Å; Y296-K304 PolarHBondContact O-N 2.86Å; N298-K304 HydrophobicContact CB-CG 4.14Å; N298-K304 WeakPolarHBondContact ND2-CE 3.25Å; I302-K304 PolarHBondContact O-N 3.41Å |
| 305 | C | 76.3 | Confident | 75.4 | Confident | 29 Ų | 29 | 58 Ų | 58 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 143.3 | -176.8 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | Y309 C314 | C305-Y309 WeakPolarHBondContact CB-O 3.42Å; C305-C314 WeakPolarHBondContact CA-SG 3.13Å; C305-C314 HydrophobicContact CB-CB 3.71Å; C305-C314 WeakPolarHBondContact CB-SG 3.09Å; C305-C314 PolarHBondContact N-SG 3.11Å; C305-C314 VanDerWaalsContact N-SG 3.43Å; C305-C314 WeakPolarHBondContact SG-CA 3.42Å; C305-C314 WeakPolarHBondContact SG-CB 3.32Å; C305-C314 CovalentContact SG-SG 2.04Å; C305-C314 PolarHBondContact SG-SG 3.05Å |
| 306 | N | 78.8 | Confident | 74.9 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 159.6 | 169.6 | -64.7 | -23.3 | 0 | 0 | 0 | 109.7 | N294 G308 Y309 | N294-N306 VanDerWaalsContact O-CB 3.29Å; N294-N306 WeakPolarHBondContact O-CB 3.4Å; N294-N306 PolarHBondContact O-N 2.89Å; N306-G308 PolarHBondContact O-N 2.9Å; N306-Y309 PolarHBondContact O-N 2.99Å; N306-Y309 VanDerWaalsContact O-N 3.12Å |
| 307 | V | 71.3 | Confident | 74.5 | Confident | 97 Ų | 97 | 54 Ų | 54 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.7 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | A131 L132 | A131-V307 WeakPolarHBondContact O-CG1 3.23Å; L132-V307 HydrophobicContact CD2-CG1 3.9Å; L132-V307 HydrophobicContact CG-CG1 4.47Å |
| 308 | G | 68.9 | Low | 73.7 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 4.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L132 N306 F318 | L132-G308 VanDerWaalsContact CD2-N 3.26Å; N306-G308 PolarHBondContact O-N 2.9Å; G308-F318 WeakPolarHBondContact O-CB 3.02Å; G308-F318 PolarHBondContact O-N 3.29Å |
| 309 | Y | 75.3 | Confident | 73.1 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.6 | 173.8 | -66.4 | -91.1 | 0 | 0 | 0 | 111.3 | N294 C305 N306 T316 A317 P332 | N294-Y309 HydrophobicContact CB-CD1 3.68Å; N294-Y309 HydrophobicContact CB-CD2 3.93Å; N294-Y309 HydrophobicContact CB-CE1 3.94Å; N294-Y309 HydrophobicContact CB-CE2 4.17Å; N294-Y309 HydrophobicContact CB-CG 3.67Å; N294-Y309 WeakPolarHBondContact ND2-CE1 3.38Å; C305-Y309 WeakPolarHBondContact CB-O 3.42Å; N306-Y309 PolarHBondContact O-N 2.99Å; N306-Y309 VanDerWaalsContact O-N 3.12Å; Y309-T316 CarbonylContact C-O 3.51Å; Y309-T316 WeakPolarHBondContact CA-O 3.23Å; Y309-A317 HydrophobicContact CD1-CB 4.13Å; Y309-A317 HydrophobicContact CE1-CB 3.96Å; Y309-P332 HydrophobicContact CD2-CG 3.84Å; Y309-P332 HydrophobicContact CE1-CG 4.42Å; Y309-P332 HydrophobicContact CE2-CG 3.36Å; Y309-P332 VanDerWaalsContact OH-CD 3.23Å; Y309-P332 WeakPolarHBondContact OH-CD 3.37Å |
| 310 | T | 69.5 | Low | 72.4 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | -179.3 | 178 | -163.8 | 0 | 0 | 0 | 0 | 110.6 | S167 E168 C314 E315 T316 | S167-T310 PolarHBondContact OG-OG1 2.91Å; S167-T310 VanDerWaalsContact OG-OG1 3.08Å; E168-T310 VanDerWaalsContact CD-OG1 3.24Å; E168-T310 WeakPolarHBondContact OE1-CA 3.41Å; E168-T310 WeakPolarHBondContact OE1-CB 3.35Å; E168-T310 PolarHBondContact OE1-OG1 3.49Å; E168-T310 PolarHBondContact OE2-OG1 2.63Å; E168-T310 VanDerWaalsContact OE2-OG1 3.1Å; T310-C314 CarbonylContact O-C 3.54Å; T310-C314 WeakPolarHBondContact O-CA 3.06Å; T310-E315 PolarHBondContact O-N 2.01Å; T310-T316 HydrophobicContact CG2-CG2 4.09Å; T310-T316 PolarHBondContact N-O 3.2Å; T310-T316 PolarHBondContact O-N 3.04Å |
| 311 | G | 69.8 | Low | 72.1 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 107.8 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R264 Y313 | R264-G311 PolarHBondContact NH2-O 2.86Å; G311-Y313 PolarHBondContact O-N 3.06Å |
| 312 | Q | 72.3 | Confident | 71.6 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.224 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -65.9 | -32.1 | 178.3 | 178.8 | 178.1 | -6 | 0 | 0 | 111 | H263 C303 E315 | H263-Q312 WeakPolarHBondContact O-CG 3.12Å; H263-Q312 PolarHBondContact O-NE2 2.55Å; H263-Q312 PolarHBondContact O-OE1 2.67Å; C303-Q312 WeakPolarHBondContact CB-O 3.15Å; Q312-E315 PolarHBondContact N-OE2 2.04Å |
| 313 | Y | 77.4 | Confident | 71.8 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 21% | 0.212 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -128 | 20.3 | -172.7 | -61.1 | -60.6 | 0 | 0 | 0 | 112.6 | D284 K290 C291 G311 E315 | D284-Y313 VanDerWaalsContact OD2-CE1 3.23Å; D284-Y313 WeakPolarHBondContact OD2-CE1 3.44Å; D284-Y313 PolarHBondContact OD2-OH 2.04Å; K290-Y313 HydrophobicContact CB-CD1 3.34Å; K290-Y313 HydrophobicContact CB-CD2 4.4Å; K290-Y313 HydrophobicContact CB-CE1 3.5Å; K290-Y313 HydrophobicContact CB-CG 3.81Å; K290-Y313 HydrophobicContact CD-CD1 4.34Å; K290-Y313 HydrophobicContact CD-CE1 3.67Å; K290-Y313 HydrophobicContact CD-CE2 4.1Å; K290-Y313 HydrophobicContact CG-CD1 4.45Å; K290-Y313 HydrophobicContact CG-CE1 4.22Å; K290-Y313 WeakPolarHBondContact O-CB 3.44Å; C291-Y313 CarbonylContact C-O 3.5Å; C291-Y313 VanDerWaalsContact C-O 3.32Å; C291-Y313 WeakPolarHBondContact CA-O 3.47Å; C291-Y313 VanDerWaalsContact O-O 3.09Å; G311-Y313 PolarHBondContact O-N 3.06Å; Y313-E315 WeakPolarHBondContact CA-OE2 3.17Å; Y313-E315 WeakPolarHBondContact CB-OE2 3Å; Y313-E315 PolarHBondContact N-OE2 2.87Å; Y313-E315 PolarHBondContact O-N 3.47Å |
| 314 | C | 78.4 | Confident | 72.1 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 60.6 | 30 | 178.4 | -46.5 | 0 | 0 | 0 | 0 | 113.9 | N294 C305 T310 | N294-C314 HydrophobicContact CB-CB 4.14Å; N294-C314 WeakPolarHBondContact CB-O 3.35Å; N294-C314 PolarHBondContact ND2-O 3.48Å; C305-C314 WeakPolarHBondContact CA-SG 3.13Å; C305-C314 HydrophobicContact CB-CB 3.71Å; C305-C314 WeakPolarHBondContact CB-SG 3.09Å; C305-C314 PolarHBondContact N-SG 3.11Å; C305-C314 VanDerWaalsContact N-SG 3.43Å; C305-C314 WeakPolarHBondContact SG-CA 3.42Å; C305-C314 WeakPolarHBondContact SG-CB 3.32Å; C305-C314 CovalentContact SG-SG 2.04Å; C305-C314 PolarHBondContact SG-SG 3.05Å; T310-C314 CarbonylContact O-C 3.54Å; T310-C314 WeakPolarHBondContact O-CA 3.06Å |
| 315 | E | 79.5 | Confident | 72.5 | Confident | 111 Ų | 111 | 46.1 Ų | 46.1 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | trans | -80.7 | -24.8 | -177.7 | 68.8 | -81.5 | -165.7 | 0 | 0 | 113.2 | T310 Q312 Y313 | T310-E315 PolarHBondContact O-N 2.01Å; Q312-E315 PolarHBondContact N-OE2 2.04Å; Y313-E315 WeakPolarHBondContact CA-OE2 3.17Å; Y313-E315 WeakPolarHBondContact CB-OE2 3Å; Y313-E315 PolarHBondContact N-OE2 2.87Å; Y313-E315 PolarHBondContact O-N 3.47Å | ||
| 316 | T | 76 | Confident | 72.8 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.7 | -173.5 | -58 | 0 | 0 | 0 | 0 | 110.2 | Y309 T310 | Y309-T316 CarbonylContact C-O 3.51Å; Y309-T316 WeakPolarHBondContact CA-O 3.23Å; T310-T316 HydrophobicContact CG2-CG2 4.09Å; T310-T316 PolarHBondContact N-O 3.2Å; T310-T316 PolarHBondContact O-N 3.04Å |
| 317 | A | 76.6 | Confident | 73.2 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 142.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y309 C329 | Y309-A317 HydrophobicContact CD1-CB 4.13Å; Y309-A317 HydrophobicContact CE1-CB 3.96Å; A317-C329 VanDerWaalsContact C-SG 3.56Å; A317-C329 PolarHBondContact O-SG 3.43Å |
| 318 | F | 68.4 | Low | 74 | Confident | 36 Ų | 36 | 46 Ų | 46 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 118.1 | 176.9 | -175.5 | -97.6 | 0 | 0 | 0 | 110.4 | Y133 G308 F320 C329 P332 S333 | Y133-F318 AromaticContact CD1-CE1 3.63Å; Y133-F318 HydrophobicContact CD1-CE1 3.63Å; Y133-F318 AromaticContact CD1-CZ 3.97Å; Y133-F318 HydrophobicContact CD1-CZ 3.97Å; Y133-F318 AromaticContact CD2-CE1 3.89Å; Y133-F318 HydrophobicContact CD2-CE1 3.89Å; Y133-F318 AromaticContact CE1-CE1 3.31Å; Y133-F318 HydrophobicContact CE1-CE1 3.31Å; Y133-F318 HydrophobicContact CE1-CE2 4.41Å; Y133-F318 AromaticContact CE1-CZ 3.17Å; Y133-F318 HydrophobicContact CE1-CZ 3.17Å; Y133-F318 HydrophobicContact CE2-CD1 4.45Å; Y133-F318 AromaticContact CE2-CE1 3.63Å; Y133-F318 HydrophobicContact CE2-CE1 3.63Å; Y133-F318 AromaticContact CE2-CZ 3.9Å; Y133-F318 HydrophobicContact CE2-CZ 3.9Å; Y133-F318 AromaticContact CG-CE1 3.92Å; Y133-F318 HydrophobicContact CG-CE1 3.92Å; Y133-F318 AromaticContact CZ-CE1 3.31Å; Y133-F318 AromaticContact CZ-CZ 3.13Å; Y133-F318 WeakPolarHBondContact OH-CZ 2.99Å; G308-F318 WeakPolarHBondContact O-CB 3.02Å; G308-F318 PolarHBondContact O-N 3.29Å; F318-F320 HydrophobicContact CE1-CB 3.64Å; F318-F320 HydrophobicContact CZ-CB 4.16Å; F318-C329 VanDerWaalsContact C-SG 3.6Å; F318-P332 WeakPolarHBondContact O-CA 3.28Å; F318-S333 PolarHBondContact O-N 3.21Å; F318-S333 VanDerWaalsContact O-N 3.17Å |
| 319 | C | 65.4 | Low | 74.6 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | trans | -107.7 | 119.5 | 176.4 | -75 | 0 | 0 | 0 | 0 | 110.5 | P321 C329 A331 V334 | C319-P321 CarbonylContact C-O 3.54Å; C319-P321 CarbonylContact O-C 3.47Å; C319-C329 VanDerWaalsContact CA-SG 3.59Å; C319-C329 HydrophobicContact CB-CB 3.78Å; C319-C329 WeakPolarHBondContact CB-SG 3.11Å; C319-C329 PolarHBondContact N-SG 3.49Å; C319-C329 VanDerWaalsContact SG-CA 3.56Å; C319-C329 WeakPolarHBondContact SG-CB 2.96Å; C319-C329 CovalentContact SG-SG 2.02Å; C319-C329 PolarHBondContact SG-SG 2.92Å; C319-A331 PolarHBondContact SG-O 2.83Å; C319-A331 VanDerWaalsContact SG-O 3.41Å; C319-V334 PolarHBondContact SG-O 2.85Å; C319-V334 VanDerWaalsContact SG-O 3.42Å | ||
| 320 | F | 55.5 | Low | 75.1 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 25% | 0.254 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -130.3 | 126.2 | 165.8 | -173.2 | -95.3 | 0 | 0 | 0 | 111.1 | Y133 F134 L163 F318 | Y133-F320 HydrophobicContact CD1-CB 3.52Å; Y133-F320 AromaticContact CD1-CD1 3.68Å; Y133-F320 HydrophobicContact CD1-CD1 3.68Å; Y133-F320 AromaticContact CD1-CD2 3.65Å; Y133-F320 HydrophobicContact CD1-CD2 3.65Å; Y133-F320 HydrophobicContact CD1-CE1 4.27Å; Y133-F320 HydrophobicContact CD1-CE2 4.25Å; Y133-F320 AromaticContact CD1-CG 3.33Å; Y133-F320 HydrophobicContact CD1-CG 3.33Å; Y133-F320 HydrophobicContact CE1-CB 4.09Å; Y133-F320 AromaticContact CE1-CD2 3.86Å; Y133-F320 HydrophobicContact CE1-CD2 3.86Å; Y133-F320 HydrophobicContact CE1-CE2 4.46Å; Y133-F320 AromaticContact CE1-CG 3.97Å; Y133-F320 HydrophobicContact CE1-CG 3.97Å; Y133-F320 HydrophobicContact CG-CB 4.23Å; Y133-F320 HydrophobicContact CG-CD1 4.39Å; Y133-F320 HydrophobicContact CG-CG 4.29Å; F134-F320 HydrophobicContact CE1-CE1 4.45Å; F134-F320 AromaticContact CZ-CE1 3.99Å; F134-F320 HydrophobicContact CZ-CE1 3.99Å; L163-F320 HydrophobicContact CD2-CE2 4.03Å; F318-F320 HydrophobicContact CE1-CB 3.64Å; F318-F320 HydrophobicContact CZ-CB 4.16Å |
| 321 | P | 60.7 | Low | 75.8 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -62.7 | 158 | -5.4 | -23 | 37.2 | 0 | 0 | 0 | 113 | C319 Q345 | C319-P321 CarbonylContact C-O 3.54Å; C319-P321 CarbonylContact O-C 3.47Å; P321-Q345 HydrophobicContact CB-CG 4.38Å |
| 322 | Q | 58.8 | Low | 76.1 | Confident | 85 Ų | 85 | 52 Ų | 52 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 148 | -177.9 | -71.7 | -170.9 | -26.3 | 0 | 0 | 111.5 | L324 | Q322-L324 PolarHBondContact O-N 3.28Š|
| 323 | C | 74.8 | Confident | 76 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 129.7 | 172.5 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | G327 C335 | C323-G327 WeakPolarHBondContact CB-O 3.19Å; C323-C335 WeakPolarHBondContact CA-SG 3.05Å; C323-C335 HydrophobicContact CB-CB 3.78Å; C323-C335 WeakPolarHBondContact CB-SG 3.12Å; C323-C335 VanDerWaalsContact SG-CA 3.52Å; C323-C335 WeakPolarHBondContact SG-CB 3.34Å; C323-C335 CovalentContact SG-SG 2.03Å; C323-C335 PolarHBondContact SG-SG 2.87Å |
| 324 | L | 81.9 | Confident | 76.2 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -93 | 170 | -179.8 | -57.2 | 179.8 | 0 | 0 | 0 | 111 | Q322 G326 G327 Q345 C346 E347 | Q322-L324 PolarHBondContact O-N 3.28Å; L324-G326 PolarHBondContact O-N 3.05Å; L324-G327 PolarHBondContact O-N 3.36Å; L324-Q345 WeakPolarHBondContact CA-O 3.46Å; L324-Q345 WeakPolarHBondContact CB-O 3.28Å; L324-Q345 HydrophobicContact CG-CB 4.5Å; L324-Q345 PolarHBondContact N-O 2.65Å; L324-C346 WeakPolarHBondContact O-CB 3.46Å; L324-E347 HydrophobicContact CD1-CB 3.95Å |
| 325 | N | 86.9 | Confident | 76.6 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 28.7 | 172.1 | -59.8 | -46 | 0 | 0 | 0 | 115 | P338 Y341 C346 | N325-P338 VanDerWaalsContact O-CG 3.3Å; N325-P338 WeakPolarHBondContact O-CG 3.32Å; N325-Y341 HydrophobicContact CB-CD1 3.59Å; N325-Y341 HydrophobicContact CB-CD2 4.31Å; N325-Y341 HydrophobicContact CB-CE1 3.44Å; N325-Y341 VanDerWaalsContact CB-CE1 3.44Å; N325-Y341 HydrophobicContact CB-CE2 4.15Å; N325-Y341 HydrophobicContact CB-CG 4.02Å; N325-Y341 WeakPolarHBondContact ND2-CD1 3.41Å; N325-Y341 WeakPolarHBondContact ND2-CE1 3.31Å; N325-C346 PolarHBondContact ND2-O 3.27Å |
| 326 | G | 82.8 | Confident | 77.3 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 74% | 0.742 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | 16.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L324 | L324-G326 PolarHBondContact O-N 3.05Š|
| 327 | G | 87.7 | Confident | 78.1 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | trans | -59.5 | 145.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C323 L324 T336 | C323-G327 WeakPolarHBondContact CB-O 3.19Å; L324-G327 PolarHBondContact O-N 3.36Å; G327-T336 WeakPolarHBondContact CA-O 3.24Å | ||
| 328 | N | 87.9 | Confident | 78.9 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.4 | 178.8 | -164.3 | 23.8 | 0 | 0 | 0 | 110.9 | T330 T336 | N328-T330 PolarHBondContact O-N 2.91Å; N328-T336 PolarHBondContact N-O 2.79Å; N328-T336 PolarHBondContact O-N 3.43Å |
| 329 | C | 80.5 | Confident | 80 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 108.2 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | A317 F318 C319 A331 | A317-C329 VanDerWaalsContact C-SG 3.56Å; A317-C329 PolarHBondContact O-SG 3.43Å; F318-C329 VanDerWaalsContact C-SG 3.6Å; C319-C329 VanDerWaalsContact CA-SG 3.59Å; C319-C329 HydrophobicContact CB-CB 3.78Å; C319-C329 WeakPolarHBondContact CB-SG 3.11Å; C319-C329 PolarHBondContact N-SG 3.49Å; C319-C329 VanDerWaalsContact SG-CA 3.56Å; C319-C329 WeakPolarHBondContact SG-CB 2.96Å; C319-C329 CovalentContact SG-SG 2.02Å; C319-C329 PolarHBondContact SG-SG 2.92Å; C329-A331 PolarHBondContact SG-O 2.65Å; C329-A331 VanDerWaalsContact SG-O 3.41Å |
| 330 | T | 87.3 | Confident | 81.2 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -23.5 | -174.9 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | N328 V334 T336 | N328-T330 PolarHBondContact O-N 2.91Å; T330-V334 PolarHBondContact N-O 3.39Å; T330-V334 VanDerWaalsContact N-O 3.09Å; T330-T336 WeakPolarHBondContact CG2-OG1 3.38Å; T330-T336 PolarHBondContact OG1-OG1 2.63Å; T330-T336 VanDerWaalsContact OG1-OG1 3.09Å |
| 331 | A | 82.9 | Confident | 83 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 165.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | C319 C329 S333 V334 | C319-A331 PolarHBondContact SG-O 2.83Å; C319-A331 VanDerWaalsContact SG-O 3.41Å; C329-A331 PolarHBondContact SG-O 2.65Å; C329-A331 VanDerWaalsContact SG-O 3.41Å; A331-S333 PolarHBondContact O-N 3.25Å; A331-S333 VanDerWaalsContact O-N 3.08Å; A331-V334 HydrophobicContact CB-CB 3.93Å; A331-V334 HydrophobicContact CB-CG2 4.04Å; A331-V334 PolarHBondContact O-N 2.77Å |
| 332 | P | 75.9 | Confident | 84.4 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 119.3 | -178.8 | -27.7 | 32.7 | 0 | 0 | 0 | 111.4 | Y309 F318 V334 | Y309-P332 HydrophobicContact CD2-CG 3.84Å; Y309-P332 HydrophobicContact CE1-CG 4.42Å; Y309-P332 HydrophobicContact CE2-CG 3.36Å; Y309-P332 VanDerWaalsContact OH-CD 3.23Å; Y309-P332 WeakPolarHBondContact OH-CD 3.37Å; F318-P332 WeakPolarHBondContact O-CA 3.28Å; P332-V334 PolarHBondContact O-N 2.78Å |
| 333 | S | 69.9 | Low | 85.7 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 18.7 | -175.9 | -47.8 | 0 | 0 | 0 | 0 | 116 | F318 A331 | F318-S333 PolarHBondContact O-N 3.21Å; F318-S333 VanDerWaalsContact O-N 3.17Å; A331-S333 PolarHBondContact O-N 3.25Å; A331-S333 VanDerWaalsContact O-N 3.08Å |
| 334 | V | 83.1 | Confident | 86 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | C319 T330 A331 P332 | C319-V334 PolarHBondContact SG-O 2.85Å; C319-V334 VanDerWaalsContact SG-O 3.42Å; T330-V334 PolarHBondContact N-O 3.39Å; T330-V334 VanDerWaalsContact N-O 3.09Å; A331-V334 HydrophobicContact CB-CB 3.93Å; A331-V334 HydrophobicContact CB-CG2 4.04Å; A331-V334 PolarHBondContact O-N 2.77Å; P332-V334 PolarHBondContact O-N 2.78Å |
| 335 | C | 86.3 | Confident | 85.9 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.6 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | C323 T344 | C323-C335 WeakPolarHBondContact CA-SG 3.05Å; C323-C335 HydrophobicContact CB-CB 3.78Å; C323-C335 WeakPolarHBondContact CB-SG 3.12Å; C323-C335 VanDerWaalsContact SG-CA 3.52Å; C323-C335 WeakPolarHBondContact SG-CB 3.34Å; C323-C335 CovalentContact SG-SG 2.03Å; C323-C335 PolarHBondContact SG-SG 2.87Å; C335-T344 WeakPolarHBondContact CB-O 3.4Å |
| 336 | T | 94.2 | Very high | 85.9 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.7 | 165.2 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | G327 N328 T330 | G327-T336 WeakPolarHBondContact CA-O 3.24Å; N328-T336 PolarHBondContact N-O 2.79Å; N328-T336 PolarHBondContact O-N 3.43Å; T330-T336 WeakPolarHBondContact CG2-OG1 3.38Å; T330-T336 PolarHBondContact OG1-OG1 2.63Å; T330-T336 VanDerWaalsContact OG1-OG1 3.09Å |
| 337 | C | 93.6 | Very high | 86.1 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -87 | 140.9 | -173.8 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | C346 | C337-C346 WeakPolarHBondContact CA-SG 3.37Å; C337-C346 HydrophobicContact CB-CB 3.68Å; C337-C346 WeakPolarHBondContact CB-SG 3.01Å; C337-C346 WeakPolarHBondContact SG-CA 3.37Å; C337-C346 WeakPolarHBondContact SG-CB 3.03Å; C337-C346 CovalentContact SG-SG 2.04Å; C337-C346 PolarHBondContact SG-SG 2.04Å |
| 338 | P | 92.9 | Very high | 86 | Confident | 46 Ų | 46 | 57 Ų | 57 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 161.3 | 172.5 | 26.4 | -28.1 | 0 | 0 | 0 | 110.2 | N325 G340 Y341 | N325-P338 VanDerWaalsContact O-CG 3.3Å; N325-P338 WeakPolarHBondContact O-CG 3.32Å; P338-G340 PolarHBondContact O-N 3.08Å; P338-Y341 HydrophobicContact CG-CD2 3.79Å; P338-Y341 HydrophobicContact CG-CE2 4.39Å; P338-Y341 HydrophobicContact CG-CG 4.48Å; P338-Y341 PolarHBondContact O-N 2.77Å; P338-Y341 VanDerWaalsContact O-N 3.1Å |
| 339 | E | 91.5 | Very high | 86.1 | Confident | 154 Ų | 154 | 51.8 Ų | 51.8 | 72% | 0.72 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.9 | -178.3 | -163.2 | -167.2 | 155.4 | 0 | 0 | 111.3 | K364 | E339-K364 IonicContact OE1-NZ 2.79Å; E339-K364 PolarHBondContact OE1-NZ 3.29Å |
| 340 | G | 89.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -1.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P338 G349 I350 Q363 K364 | P338-G340 PolarHBondContact O-N 3.08Å; G340-G349 CarbonylContact O-C 3.45Å; G340-G349 WeakPolarHBondContact O-CA 3.16Å; G340-I350 PolarHBondContact O-N 3.41Å; G340-Q363 CarbonylContact O-C 3.5Å; G340-K364 PolarHBondContact O-N 2.76Å; G340-K364 VanDerWaalsContact O-N 3.09Å |
| 341 | Y | 93.3 | Very high | 86.8 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.7 | 174.8 | -62.5 | -87.7 | 0 | 0 | 0 | 111.6 | N325 P338 G348 I350 I362 Q363 | N325-Y341 HydrophobicContact CB-CD1 3.59Å; N325-Y341 HydrophobicContact CB-CD2 4.31Å; N325-Y341 HydrophobicContact CB-CE1 3.44Å; N325-Y341 VanDerWaalsContact CB-CE1 3.44Å; N325-Y341 HydrophobicContact CB-CE2 4.15Å; N325-Y341 HydrophobicContact CB-CG 4.02Å; N325-Y341 WeakPolarHBondContact ND2-CD1 3.41Å; N325-Y341 WeakPolarHBondContact ND2-CE1 3.31Å; P338-Y341 HydrophobicContact CG-CD2 3.79Å; P338-Y341 HydrophobicContact CG-CE2 4.39Å; P338-Y341 HydrophobicContact CG-CG 4.48Å; P338-Y341 PolarHBondContact O-N 2.77Å; P338-Y341 VanDerWaalsContact O-N 3.1Å; Y341-G348 CarbonylContact C-O 3.56Å; Y341-G348 VanDerWaalsContact CA-O 3.23Å; Y341-G348 WeakPolarHBondContact CA-O 3.48Å; Y341-I350 WeakPolarHBondContact O-CD1 3.44Å; Y341-I362 WeakPolarHBondContact CE1-O 3.41Å; Y341-Q363 HydrophobicContact CE1-CB 4Å; Y341-Q363 HydrophobicContact CE1-CG 4.18Å; Y341-Q363 HydrophobicContact CE2-CG 4.02Å; Y341-Q363 WeakPolarHBondContact OH-CG 3.45Å; Y341-Q363 PolarHBondContact OH-NE2 3Å |
| 342 | Q | 90.3 | Very high | 87.2 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 173.6 | -178.2 | 60.7 | 174.8 | -12.6 | 0 | 0 | 110.2 | C346 E347 G348 G349 I350 | Q342-C346 CarbonylContact O-C 3.58Å; Q342-C346 WeakPolarHBondContact O-CA 3.33Å; Q342-E347 PolarHBondContact O-N 3.43Å; Q342-G348 PolarHBondContact N-O 2.91Å; Q342-G348 WeakPolarHBondContact O-CA 3.42Å; Q342-G348 PolarHBondContact O-N 3.02Å; Q342-G349 PolarHBondContact NE2-O 3.35Å; Q342-I350 HydrophobicContact CB-CD1 4.12Å; Q342-I350 HydrophobicContact CB-CG1 3.79Å; Q342-I350 HydrophobicContact CG-CG1 3.75Å |
| 343 | G | 86.9 | Confident | 87.9 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 102.3 | 168.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q345 C346 | G343-Q345 PolarHBondContact O-N 3.17Å; G343-C346 PolarHBondContact O-N 3.12Å |
| 344 | T | 80.4 | Confident | 89 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 63% | 0.632 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.1 | -175.7 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | C335 E347 | C335-T344 WeakPolarHBondContact CB-O 3.4Å; T344-E347 PolarHBondContact N-OE2 3.4Å |
| 345 | Q | 80.5 | Confident | 89.6 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 13.9 | 177.3 | -63.3 | 164.6 | 24.1 | 0 | 0 | 111.5 | P321 L324 G343 E347 | P321-Q345 HydrophobicContact CB-CG 4.38Å; L324-Q345 WeakPolarHBondContact CA-O 3.46Å; L324-Q345 WeakPolarHBondContact CB-O 3.28Å; L324-Q345 HydrophobicContact CG-CB 4.5Å; L324-Q345 PolarHBondContact N-O 2.65Å; G343-Q345 PolarHBondContact O-N 3.17Å; Q345-E347 VanDerWaalsContact C-OE2 3.25Å; Q345-E347 VanDerWaalsContact CA-OE2 3.29Å; Q345-E347 WeakPolarHBondContact CA-OE2 3.16Å; Q345-E347 WeakPolarHBondContact CB-OE2 3.27Å; Q345-E347 PolarHBondContact N-OE2 3.13Å; Q345-E347 PolarHBondContact O-N 2.78Å |
| 346 | C | 87.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 60.4 | 28.4 | -175.1 | -45.4 | 0 | 0 | 0 | 0 | 113.7 | L324 N325 C337 Q342 G343 | L324-C346 WeakPolarHBondContact O-CB 3.46Å; N325-C346 PolarHBondContact ND2-O 3.27Å; C337-C346 WeakPolarHBondContact CA-SG 3.37Å; C337-C346 HydrophobicContact CB-CB 3.68Å; C337-C346 WeakPolarHBondContact CB-SG 3.01Å; C337-C346 WeakPolarHBondContact SG-CA 3.37Å; C337-C346 WeakPolarHBondContact SG-CB 3.03Å; C337-C346 CovalentContact SG-SG 2.04Å; C337-C346 PolarHBondContact SG-SG 2.04Å; Q342-C346 CarbonylContact O-C 3.58Å; Q342-C346 WeakPolarHBondContact O-CA 3.33Å; G343-C346 PolarHBondContact O-N 3.12Å |
| 347 | E | 86.3 | Confident | 89.8 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | trans | -78 | -24.1 | -176 | 71.7 | -78.1 | -176.1 | 0 | 0 | 113.8 | L324 Q342 T344 Q345 | L324-E347 HydrophobicContact CD1-CB 3.95Å; Q342-E347 PolarHBondContact O-N 3.43Å; T344-E347 PolarHBondContact N-OE2 3.4Å; Q345-E347 VanDerWaalsContact C-OE2 3.25Å; Q345-E347 VanDerWaalsContact CA-OE2 3.29Å; Q345-E347 WeakPolarHBondContact CA-OE2 3.16Å; Q345-E347 WeakPolarHBondContact CB-OE2 3.27Å; Q345-E347 PolarHBondContact N-OE2 3.13Å; Q345-E347 PolarHBondContact O-N 2.78Å | ||
| 348 | G | 86.5 | Confident | 89.6 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 145.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y341 Q342 | Y341-G348 CarbonylContact C-O 3.56Å; Y341-G348 VanDerWaalsContact CA-O 3.23Å; Y341-G348 WeakPolarHBondContact CA-O 3.48Å; Q342-G348 PolarHBondContact N-O 2.91Å; Q342-G348 WeakPolarHBondContact O-CA 3.42Å; Q342-G348 PolarHBondContact O-N 3.02Å |
| 349 | G | 89.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 156.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G340 Q342 C361 I362 | G340-G349 CarbonylContact O-C 3.45Å; G340-G349 WeakPolarHBondContact O-CA 3.16Å; Q342-G349 PolarHBondContact NE2-O 3.35Å; G349-C361 PolarHBondContact N-O 3.09Å; G349-C361 PolarHBondContact O-SG 3.15Å; G349-C361 VanDerWaalsContact O-SG 3.38Å; G349-I362 VanDerWaalsContact CA-C 3.47Å |
| 350 | I | 91.4 | Very high | 89.6 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 40% | 0.395 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 117.2 | 168.2 | -57.6 | 174 | 0 | 0 | 0 | 108.5 | G340 Y341 Q342 K364 D365 | G340-I350 PolarHBondContact O-N 3.41Å; Y341-I350 WeakPolarHBondContact O-CD1 3.44Å; Q342-I350 HydrophobicContact CB-CD1 4.12Å; Q342-I350 HydrophobicContact CB-CG1 3.79Å; Q342-I350 HydrophobicContact CG-CG1 3.75Å; I350-K364 WeakPolarHBondContact O-CA 3.23Å; I350-D365 PolarHBondContact O-N 2.8Å; I350-D365 VanDerWaalsContact O-N 3.13Å |
| 351 | C | 90.7 | Very high | 89.8 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | trans | -116.8 | 129.7 | 175.2 | -66.5 | 0 | 0 | 0 | 0 | 108.3 | D353 C361 | C351-D353 VanDerWaalsContact C-N 3.27Å; C351-D353 WeakPolarHBondContact CB-O 3.43Å; C351-D353 PolarHBondContact O-N 3.09Å; C351-C361 HydrophobicContact CB-CB 3.94Å; C351-C361 WeakPolarHBondContact CB-SG 3.37Å; C351-C361 PolarHBondContact N-SG 3Å; C351-C361 WeakPolarHBondContact SG-CB 3.49Å; C351-C361 CovalentContact SG-SG 2.03Å; C351-C361 PolarHBondContact SG-SG 2.95Å | ||
| 352 | K | 90.6 | Very high | 89.6 | Confident | 188 Ų | 188 | 68.9 Ų | 68.9 | 82% | 0.817 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -60.3 | -44.7 | 173.4 | -178.5 | -178.8 | 178.6 | -177.9 | 0 | 110.1 | D365 | K352-D365 WeakPolarHBondContact CB-OD1 3.29Å; K352-D365 PolarHBondContact N-OD1 3.31Å |
| 353 | D | 91.6 | Very high | 89.5 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -100.6 | 135.3 | 174.8 | -79.3 | -32 | 0 | 0 | 0 | 111.5 | C351 C355 R377 | C351-D353 VanDerWaalsContact C-N 3.27Å; C351-D353 WeakPolarHBondContact CB-O 3.43Å; C351-D353 PolarHBondContact O-N 3.09Å; D353-C355 PolarHBondContact O-N 2.91Å; D353-R377 IonicContact OD2-NH1 3.94Å |
| 354 | K | 92.3 | Very high | 89.7 | Confident | 175 Ų | 175 | 70.7 Ų | 70.7 | 76% | 0.761 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 137.3 | 178.3 | -63.8 | -174.5 | -178.3 | -176.8 | 0 | 111.4 | R377 | K354-R377 PolarHBondContact O-NE 3.35Å; K354-R377 VanDerWaalsContact O-NE 3.08Å; K354-R377 PolarHBondContact O-NH2 2.03Å |
| 355 | C | 94.5 | Very high | 90.1 | Very high | 24 Ų | 24 | 69.8 Ų | 69.8 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 133.9 | 165.7 | -53 | 0 | 0 | 0 | 0 | 110 | D353 G359 C361 C367 | D353-C355 PolarHBondContact O-N 2.91Å; C355-G359 VanDerWaalsContact CB-O 3.29Å; C355-G359 WeakPolarHBondContact CB-O 3.05Å; C355-C361 PolarHBondContact SG-N 2.86Å; C355-C367 WeakPolarHBondContact CA-SG 3.2Å; C355-C367 HydrophobicContact CB-CB 3.76Å; C355-C367 WeakPolarHBondContact CB-SG 3.29Å; C355-C367 VanDerWaalsContact SG-CA 3.56Å; C355-C367 WeakPolarHBondContact SG-CB 2.99Å; C355-C367 CovalentContact SG-SG 2.02Å; C355-C367 PolarHBondContact SG-SG 3.07Å |
| 356 | L | 93.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 72.4 Ų | 72.4 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 170.5 | -178.1 | -56.3 | 173.9 | 0 | 0 | 0 | 110.9 | G358 G359 R377 C378 E379 | L356-G358 PolarHBondContact O-N 3.17Å; L356-G359 PolarHBondContact O-N 2.78Å; L356-R377 WeakPolarHBondContact CA-O 3.03Å; L356-R377 WeakPolarHBondContact CB-O 3.43Å; L356-R377 PolarHBondContact N-O 3.36Å; L356-C378 WeakPolarHBondContact O-CB 3.29Å; L356-E379 HydrophobicContact CD1-CB 4.04Å |
| 357 | N | 91.8 | Very high | 90.9 | Very high | 80 Ų | 80 | 73.3 Ų | 73.3 | 43% | 0.428 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 36.2 | 171.6 | -60.1 | -44.3 | 0 | 0 | 0 | 114.9 | G359 Y373 C378 | N357-G359 VanDerWaalsContact C-N 3.31Å; N357-G359 PolarHBondContact O-N 2.99Å; N357-Y373 HydrophobicContact CB-CD1 3.45Å; N357-Y373 VanDerWaalsContact CB-CD1 3.45Å; N357-Y373 HydrophobicContact CB-CD2 4.14Å; N357-Y373 HydrophobicContact CB-CE1 3.45Å; N357-Y373 VanDerWaalsContact CB-CE1 3.45Å; N357-Y373 HydrophobicContact CB-CE2 4.13Å; N357-Y373 HydrophobicContact CB-CG 3.8Å; N357-Y373 VanDerWaalsContact CG-CE1 3.44Å; N357-C378 PolarHBondContact ND2-O 3.42Å |
| 358 | G | 88.7 | Confident | 91.3 | Very high | 55 Ų | 55 | 75 Ų | 75 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 19 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L356 S370 | L356-G358 PolarHBondContact O-N 3.17Å; G358-S370 PolarHBondContact O-OG 3.39Å; G358-S370 VanDerWaalsContact O-OG 3.05Å |
| 359 | G | 92.6 | Very high | 91.7 | Very high | 14 Ų | 14 | 76 Ų | 76 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | trans | -67.4 | 148.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C355 L356 N357 Q368 | C355-G359 VanDerWaalsContact CB-O 3.29Å; C355-G359 WeakPolarHBondContact CB-O 3.05Å; L356-G359 PolarHBondContact O-N 2.78Å; N357-G359 VanDerWaalsContact C-N 3.31Å; N357-G359 PolarHBondContact O-N 2.99Å; G359-Q368 CarbonylContact C-O 3.59Å; G359-Q368 WeakPolarHBondContact CA-O 3.43Å | ||
| 360 | K | 92.3 | Very high | 91.7 | Very high | 153 Ų | 153 | 78.5 Ų | 78.5 | 67% | 0.665 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.3 | 177 | -67 | -175 | 179.2 | -176 | 0 | 110.1 | I362 C367 Q368 | K360-I362 PolarHBondContact O-N 3.46Å; K360-C367 CarbonylContact O-C 3.59Å; K360-C367 WeakPolarHBondContact O-CA 3.19Å; K360-Q368 PolarHBondContact N-O 2.88Å; K360-Q368 PolarHBondContact O-N 3.48Å |
| 361 | C | 93.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 82 Ų | 82 | 22% | 0.216 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.5 | 172.1 | -171.3 | 0 | 0 | 0 | 0 | 109 | G349 C351 C355 Q363 | G349-C361 PolarHBondContact N-O 3.09Å; G349-C361 PolarHBondContact O-SG 3.15Å; G349-C361 VanDerWaalsContact O-SG 3.38Å; C351-C361 HydrophobicContact CB-CB 3.94Å; C351-C361 WeakPolarHBondContact CB-SG 3.37Å; C351-C361 PolarHBondContact N-SG 3Å; C351-C361 WeakPolarHBondContact SG-CB 3.49Å; C351-C361 CovalentContact SG-SG 2.03Å; C351-C361 PolarHBondContact SG-SG 2.95Å; C355-C361 PolarHBondContact SG-N 2.86Å; C361-Q363 PolarHBondContact SG-O 3.5Å |
| 362 | I | 89.6 | Confident | 91.3 | Very high | 58 Ų | 58 | 81.2 Ų | 81.2 | 30% | 0.297 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -17.2 | -175.6 | 55.7 | 160.6 | 0 | 0 | 0 | 113.3 | Y341 G349 K360 K366 Q368 | Y341-I362 WeakPolarHBondContact CE1-O 3.41Å; G349-I362 VanDerWaalsContact CA-C 3.47Å; K360-I362 PolarHBondContact O-N 3.46Å; I362-K366 HydrophobicContact CD1-CD 4.47Å; I362-K366 HydrophobicContact CD1-CG 4.48Å; I362-K366 HydrophobicContact CG1-CG 4.35Å; I362-K366 WeakPolarHBondContact CG1-O 3.49Å; I362-K366 PolarHBondContact N-O 2.76Å; I362-Q368 HydrophobicContact CD1-CB 4.03Å; I362-Q368 HydrophobicContact CG1-CB 4.15Å; I362-Q368 HydrophobicContact CG2-CB 3.59Å |
| 363 | Q | 88.7 | Confident | 91.4 | Very high | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 171.9 | 175.9 | 179.6 | 174 | 22.4 | 0 | 0 | 108.7 | G340 Y341 C361 D365 K366 | G340-Q363 CarbonylContact O-C 3.5Å; Y341-Q363 HydrophobicContact CE1-CB 4Å; Y341-Q363 HydrophobicContact CE1-CG 4.18Å; Y341-Q363 HydrophobicContact CE2-CG 4.02Å; Y341-Q363 WeakPolarHBondContact OH-CG 3.45Å; Y341-Q363 PolarHBondContact OH-NE2 3Å; C361-Q363 PolarHBondContact SG-O 3.5Å; Q363-D365 PolarHBondContact O-N 2.84Å; Q363-K366 HydrophobicContact CB-CB 4.08Å; Q363-K366 HydrophobicContact CB-CD 4.42Å; Q363-K366 PolarHBondContact O-N 3.02Å |
| 364 | K | 90.6 | Very high | 91.4 | Very high | 107 Ų | 107 | 76.6 Ų | 76.6 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37.7 | 110.4 | 170.6 | -160 | 171.2 | 176.3 | 178 | 0 | 112.1 | E339 G340 I350 K366 | E339-K364 IonicContact OE1-NZ 2.79Å; E339-K364 PolarHBondContact OE1-NZ 3.29Å; G340-K364 PolarHBondContact O-N 2.76Å; G340-K364 VanDerWaalsContact O-N 3.09Å; I350-K364 WeakPolarHBondContact O-CA 3.23Å; K364-K366 PolarHBondContact O-N 2.9Å |
| 365 | D | 88.9 | Confident | 91.4 | Very high | 83 Ų | 83 | 69.9 Ų | 69.9 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 28 | 177.3 | -59.3 | -46.3 | 0 | 0 | 0 | 115 | I350 K352 Q363 | I350-D365 PolarHBondContact O-N 2.8Å; I350-D365 VanDerWaalsContact O-N 3.13Å; K352-D365 WeakPolarHBondContact CB-OD1 3.29Å; K352-D365 PolarHBondContact N-OD1 3.31Å; Q363-D365 PolarHBondContact O-N 2.84Å |
| 366 | K | 91.6 | Very high | 91.2 | Very high | 111 Ų | 111 | 75.5 Ų | 75.5 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.8 | -178.9 | -169.6 | 176.5 | -178.3 | 178.8 | 0 | 111.2 | I362 Q363 K364 | I362-K366 HydrophobicContact CD1-CD 4.47Å; I362-K366 HydrophobicContact CD1-CG 4.48Å; I362-K366 HydrophobicContact CG1-CG 4.35Å; I362-K366 WeakPolarHBondContact CG1-O 3.49Å; I362-K366 PolarHBondContact N-O 2.76Å; Q363-K366 HydrophobicContact CB-CB 4.08Å; Q363-K366 HydrophobicContact CB-CD 4.42Å; Q363-K366 PolarHBondContact O-N 3.02Å; K364-K366 PolarHBondContact O-N 2.9Å |
| 367 | C | 93.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 75.9 Ų | 75.9 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.3 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | C355 K360 L376 | C355-C367 WeakPolarHBondContact CA-SG 3.2Å; C355-C367 HydrophobicContact CB-CB 3.76Å; C355-C367 WeakPolarHBondContact CB-SG 3.29Å; C355-C367 VanDerWaalsContact SG-CA 3.56Å; C355-C367 WeakPolarHBondContact SG-CB 2.99Å; C355-C367 CovalentContact SG-SG 2.02Å; C355-C367 PolarHBondContact SG-SG 3.07Å; K360-C367 CarbonylContact O-C 3.59Å; K360-C367 WeakPolarHBondContact O-CA 3.19Å; C367-L376 WeakPolarHBondContact CB-O 3.18Å |
| 368 | Q | 94.9 | Very high | 91.4 | Very high | 116 Ų | 116 | 72 Ų | 72 | 54% | 0.542 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 114.3 | 161.4 | -174.6 | 177.2 | 11 | 0 | 0 | 109 | G359 K360 I362 | G359-Q368 CarbonylContact C-O 3.59Å; G359-Q368 WeakPolarHBondContact CA-O 3.43Å; K360-Q368 PolarHBondContact N-O 2.88Å; K360-Q368 PolarHBondContact O-N 3.48Å; I362-Q368 HydrophobicContact CD1-CB 4.03Å; I362-Q368 HydrophobicContact CG1-CB 4.15Å; I362-Q368 HydrophobicContact CG2-CB 3.59Å |
| 369 | C | 93.6 | Very high | 91.6 | Very high | 41 Ų | 41 | 72.6 Ų | 72.6 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 142.1 | -177.7 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | Y373 C378 | C369-Y373 VanDerWaalsContact CB-O 3.29Å; C369-Y373 WeakPolarHBondContact CB-O 3.49Å; C369-C378 WeakPolarHBondContact CA-SG 3.43Å; C369-C378 HydrophobicContact CB-CB 3.71Å; C369-C378 WeakPolarHBondContact CB-SG 3.44Å; C369-C378 WeakPolarHBondContact SG-CA 3.41Å; C369-C378 WeakPolarHBondContact SG-CB 3.38Å; C369-C378 CovalentContact SG-SG 2.03Å; C369-C378 PolarHBondContact SG-SG 3.41Å |
| 370 | S | 90.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 78 Ų | 78 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 154.6 | 168.2 | -76.7 | 0 | 0 | 0 | 0 | 110.6 | G358 G372 Y373 | G358-S370 PolarHBondContact O-OG 3.39Å; G358-S370 VanDerWaalsContact O-OG 3.05Å; S370-G372 PolarHBondContact O-N 2.76Å; S370-Y373 PolarHBondContact O-N 2.91Å |
| 371 | K | 88.3 | Confident | 91.4 | Very high | 149 Ų | 149 | 72.4 Ų | 72.4 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.6 | -178.5 | -170.4 | 177.4 | 180 | 177.3 | 0 | 110.8 | N396 | K371-N396 WeakPolarHBondContact O-CB 3.29Š|
| 372 | G | 86.1 | Confident | 91.1 | Very high | 13 Ų | 13 | 77.8 Ų | 77.8 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 3.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | S370 S381 K382 | S370-G372 PolarHBondContact O-N 2.76Å; G372-S381 CarbonylContact O-C 3.32Å; G372-S381 VanDerWaalsContact O-CA 3.23Å; G372-S381 WeakPolarHBondContact O-CA 3Å; G372-K382 VanDerWaalsContact CA-O 3.28Å; G372-K382 WeakPolarHBondContact CA-O 3.02Å; G372-K382 PolarHBondContact O-N 3.41Å |
| 373 | Y | 92.2 | Very high | 90.9 | Very high | 56 Ų | 56 | 75.8 Ų | 75.8 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152 | 172.3 | -60.4 | -86.1 | 0 | 0 | 0 | 111.6 | N357 C369 S370 Y380 I394 G395 | N357-Y373 HydrophobicContact CB-CD1 3.45Å; N357-Y373 VanDerWaalsContact CB-CD1 3.45Å; N357-Y373 HydrophobicContact CB-CD2 4.14Å; N357-Y373 HydrophobicContact CB-CE1 3.45Å; N357-Y373 VanDerWaalsContact CB-CE1 3.45Å; N357-Y373 HydrophobicContact CB-CE2 4.13Å; N357-Y373 HydrophobicContact CB-CG 3.8Å; N357-Y373 VanDerWaalsContact CG-CE1 3.44Å; C369-Y373 VanDerWaalsContact CB-O 3.29Å; C369-Y373 WeakPolarHBondContact CB-O 3.49Å; S370-Y373 PolarHBondContact O-N 2.91Å; Y373-Y380 CarbonylContact C-O 3.4Å; Y373-Y380 WeakPolarHBondContact CA-O 3.32Å; Y373-I394 PolarHBondContact OH-O 2.02Å; Y373-G395 VanDerWaalsContact OH-CA 3.31Å; Y373-G395 WeakPolarHBondContact OH-CA 3.49Å |
| 374 | Y | 90.9 | Very high | 90.8 | Very high | 120 Ų | 120 | 77.3 Ų | 77.3 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 175.1 | -179.9 | 72.7 | -77.4 | 0 | 0 | 0 | 110.8 | C378 E379 Y380 K382 | Y374-C378 CarbonylContact O-C 3.58Å; Y374-C378 WeakPolarHBondContact O-CA 3.38Å; Y374-E379 PolarHBondContact O-N 3.43Å; Y374-Y380 HydrophobicContact CD2-CD2 4.31Å; Y374-Y380 HydrophobicContact CE1-CG 4.48Å; Y374-Y380 AromaticContact CE2-CD2 4Å; Y374-Y380 HydrophobicContact CE2-CD2 4Å; Y374-Y380 HydrophobicContact CE2-CG 4.15Å; Y374-Y380 PolarHBondContact N-O 2.77Å; Y374-Y380 WeakPolarHBondContact O-CB 3.4Å; Y374-Y380 PolarHBondContact O-N 2.87Å; Y374-K382 HydrophobicContact CD1-CB 3.67Å; Y374-K382 HydrophobicContact CE1-CB 3.56Å |
| 375 | G | 91.6 | Very high | 90.6 | Very high | 33 Ų | 33 | 76.2 Ų | 76.2 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 106.9 | 173.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R377 C378 E379 | G375-R377 PolarHBondContact O-N 3.36Å; G375-C378 PolarHBondContact O-N 2.82Å; G375-E379 WeakPolarHBondContact CA-OE2 3.34Å |
| 376 | L | 91.8 | Very high | 90.6 | Very high | 142 Ų | 142 | 76.9 Ų | 76.9 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.1 | -176.7 | -71.1 | 171 | 0 | 0 | 0 | 111.8 | C367 E379 | C367-L376 WeakPolarHBondContact CB-O 3.18Å; L376-E379 PolarHBondContact N-OE1 3.3Å; L376-E379 PolarHBondContact N-OE2 3.29Å |
| 377 | R | 94.1 | Very high | 90.5 | Very high | 82 Ų | 82 | 72.9 Ų | 72.9 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 15 | -179.5 | -62.8 | 178.3 | 57.7 | -176.6 | -0 | 112.2 | D353 K354 L356 G375 E379 | D353-R377 IonicContact OD2-NH1 3.94Å; K354-R377 PolarHBondContact O-NE 3.35Å; K354-R377 VanDerWaalsContact O-NE 3.08Å; K354-R377 PolarHBondContact O-NH2 2.03Å; L356-R377 WeakPolarHBondContact CA-O 3.03Å; L356-R377 WeakPolarHBondContact CB-O 3.43Å; L356-R377 PolarHBondContact N-O 3.36Å; G375-R377 PolarHBondContact O-N 3.36Å; R377-E379 VanDerWaalsContact C-OE2 3.22Å; R377-E379 VanDerWaalsContact CA-OE2 3.27Å; R377-E379 WeakPolarHBondContact CA-OE2 3.27Å; R377-E379 PolarHBondContact N-OE2 3.27Å; R377-E379 PolarHBondContact O-N 2.02Å |
| 378 | C | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 60.8 | 31.6 | -174.9 | -44.3 | 0 | 0 | 0 | 0 | 113.4 | L356 N357 C369 Y374 G375 | L356-C378 WeakPolarHBondContact O-CB 3.29Å; N357-C378 PolarHBondContact ND2-O 3.42Å; C369-C378 WeakPolarHBondContact CA-SG 3.43Å; C369-C378 HydrophobicContact CB-CB 3.71Å; C369-C378 WeakPolarHBondContact CB-SG 3.44Å; C369-C378 WeakPolarHBondContact SG-CA 3.41Å; C369-C378 WeakPolarHBondContact SG-CB 3.38Å; C369-C378 CovalentContact SG-SG 2.03Å; C369-C378 PolarHBondContact SG-SG 3.41Å; Y374-C378 CarbonylContact O-C 3.58Å; Y374-C378 WeakPolarHBondContact O-CA 3.38Å; G375-C378 PolarHBondContact O-N 2.82Å |
| 379 | E | 92.9 | Very high | 90.1 | Very high | 67 Ų | 67 | 77.1 Ų | 77.1 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | trans | -74.6 | -26 | -175.9 | 65.7 | -83.9 | -159.8 | 0 | 0 | 113.2 | L356 Y374 G375 L376 R377 | L356-E379 HydrophobicContact CD1-CB 4.04Å; Y374-E379 PolarHBondContact O-N 3.43Å; G375-E379 WeakPolarHBondContact CA-OE2 3.34Å; L376-E379 PolarHBondContact N-OE1 3.3Å; L376-E379 PolarHBondContact N-OE2 3.29Å; R377-E379 VanDerWaalsContact C-OE2 3.22Å; R377-E379 VanDerWaalsContact CA-OE2 3.27Å; R377-E379 WeakPolarHBondContact CA-OE2 3.27Å; R377-E379 PolarHBondContact N-OE2 3.27Å; R377-E379 PolarHBondContact O-N 2.02Å | ||
| 380 | Y | 91 | Very high | 89.9 | Confident | 128 Ų | 128 | 84.1 Ų | 84.1 | 50% | 0.502 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 148.3 | -179.5 | -52.5 | -64.1 | 0 | 0 | 0 | 110.9 | Y373 Y374 | Y373-Y380 CarbonylContact C-O 3.4Å; Y373-Y380 WeakPolarHBondContact CA-O 3.32Å; Y374-Y380 HydrophobicContact CD2-CD2 4.31Å; Y374-Y380 HydrophobicContact CE1-CG 4.48Å; Y374-Y380 AromaticContact CE2-CD2 4Å; Y374-Y380 HydrophobicContact CE2-CD2 4Å; Y374-Y380 HydrophobicContact CE2-CG 4.15Å; Y374-Y380 PolarHBondContact N-O 2.77Å; Y374-Y380 WeakPolarHBondContact O-CB 3.4Å; Y374-Y380 PolarHBondContact O-N 2.87Å |
| 381 | S | 90.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 82.2 Ų | 82.2 | 24% | 0.238 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 139.1 | 173.2 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | G372 C393 I394 | G372-S381 CarbonylContact O-C 3.32Å; G372-S381 VanDerWaalsContact O-CA 3.23Å; G372-S381 WeakPolarHBondContact O-CA 3Å; S381-C393 PolarHBondContact OG-O 3.48Å; S381-I394 WeakPolarHBondContact OG-CA 3.38Å |
| 382 | K | 86.9 | Confident | 90 | Very high | 146 Ų | 146 | 84.2 Ų | 84.2 | 64% | 0.635 | 42% | 0.415 | S | S | * | . | trans | -134.4 | 120.1 | 176.9 | -176.4 | 173.3 | -177.6 | 178.1 | 0 | 108.9 | G372 Y374 C393 | G372-K382 VanDerWaalsContact CA-O 3.28Å; G372-K382 WeakPolarHBondContact CA-O 3.02Å; G372-K382 PolarHBondContact O-N 3.41Å; Y374-K382 HydrophobicContact CD1-CB 3.67Å; Y374-K382 HydrophobicContact CE1-CB 3.56Å; K382-C393 VanDerWaalsContact C-SG 3.57Å | ||
| 383 | C | 86.6 | Confident | 90.2 | Very high | 15 Ų | 15 | 84.7 Ų | 84.7 | 10% | 0.101 | 42% | 0.416 | C | S | . | . | trans | -83.2 | 134.5 | 177.2 | -70.4 | 0 | 0 | 0 | 0 | 108.1 | I385 C393 | C383-I385 VanDerWaalsContact C-N 3.34Å; C383-I385 WeakPolarHBondContact CB-O 3.43Å; C383-C393 WeakPolarHBondContact CA-SG 3.02Å; C383-C393 HydrophobicContact CB-CB 3.93Å; C383-C393 WeakPolarHBondContact CB-SG 3.37Å; C383-C393 PolarHBondContact N-SG 2.99Å; C383-C393 WeakPolarHBondContact SG-CB 3.42Å; C383-C393 CovalentContact SG-SG 2.04Å; C383-C393 PolarHBondContact SG-SG 2.79Å | ||
| 384 | V | 85.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 85.2 Ų | 85.2 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -69 | -41.4 | 173 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | N397 | V384-N397 WeakPolarHBondContact CB-OD1 3.2Å; V384-N397 PolarHBondContact N-OD1 3.46Å |
| 385 | I | 86.9 | Confident | 89.8 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 44% | 0.436 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -92.4 | 111.7 | 169.4 | -58.4 | 171.4 | 0 | 0 | 0 | 107.3 | C383 N397 H409 | C383-I385 VanDerWaalsContact C-N 3.34Å; C383-I385 WeakPolarHBondContact CB-O 3.43Å; I385-N397 PolarHBondContact N-OD1 3.39Å; I385-N397 VanDerWaalsContact N-OD1 3.07Å; I385-H409 VanDerWaalsContact CB-CE1 3.47Å; I385-H409 WeakPolarHBondContact CB-CE1 3.37Å |
| 386 | P | 88 | Confident | 89.5 | Confident | 96 Ų | 96 | 82.1 Ų | 82.1 | 62% | 0.623 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 142.3 | -175.7 | 25 | -32.8 | 0 | 0 | 0 | 111.2 | K388 | P386-K388 PolarHBondContact O-N 2.67Š|
| 387 | C | 90.6 | Very high | 89.2 | Confident | 27 Ų | 27 | 77 Ų | 77 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 133 | 172.9 | -55.1 | 0 | 0 | 0 | 0 | 110 | G391 C393 C399 | C387-G391 WeakPolarHBondContact CB-O 3.23Å; C387-C393 PolarHBondContact SG-N 3.28Å; C387-C399 WeakPolarHBondContact CA-SG 3.22Å; C387-C399 HydrophobicContact CB-CB 3.72Å; C387-C399 WeakPolarHBondContact CB-SG 3.25Å; C387-C399 WeakPolarHBondContact SG-CB 3.26Å; C387-C399 CovalentContact SG-SG 2.01Å; C387-C399 PolarHBondContact SG-SG 3.47Å |
| 388 | K | 90.6 | Very high | 88.9 | Confident | 128 Ų | 128 | 76.9 Ų | 76.9 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -84.4 | 167.1 | 174.5 | -63.2 | -173.2 | 177.4 | -177.9 | 0 | 110.6 | P386 E390 G391 H409 C410 E411 | P386-K388 PolarHBondContact O-N 2.67Å; K388-E390 VanDerWaalsContact C-N 3.29Å; K388-E390 PolarHBondContact O-N 3.09Å; K388-G391 PolarHBondContact O-N 3.01Å; K388-H409 WeakPolarHBondContact CB-O 3.03Å; K388-H409 PolarHBondContact N-O 3.35Å; K388-C410 WeakPolarHBondContact O-CB 3.2Å; K388-E411 HydrophobicContact CD-CB 4.45Å |
| 389 | N | 89.9 | Confident | 88.7 | Confident | 96 Ų | 96 | 77.4 Ų | 77.4 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46.9 | 169.6 | -56.5 | -42 | 0 | 0 | 0 | 113.1 | G391 P402 L405 C410 | N389-G391 PolarHBondContact O-N 3.44Å; N389-G391 VanDerWaalsContact O-N 3.15Å; N389-P402 WeakPolarHBondContact O-CG 3.23Å; N389-L405 HydrophobicContact CB-CD1 3.44Å; N389-L405 VanDerWaalsContact CB-CD1 3.44Å; N389-C410 PolarHBondContact ND2-O 3.21Å |
| 390 | E | 88.5 | Confident | 88.8 | Confident | 188 Ų | 188 | 82.4 Ų | 82.4 | 88% | 0.879 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 20.5 | 179 | -56.7 | 172.7 | -162.3 | 0 | 0 | 115.2 | K388 | K388-E390 VanDerWaalsContact C-N 3.29Å; K388-E390 PolarHBondContact O-N 3.09Å |
| 391 | G | 90.4 | Very high | 88.9 | Confident | 15 Ų | 15 | 78 Ų | 78 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 143.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C387 K388 N389 R400 | C387-G391 WeakPolarHBondContact CB-O 3.23Å; K388-G391 PolarHBondContact O-N 3.01Å; N389-G391 PolarHBondContact O-N 3.44Å; N389-G391 VanDerWaalsContact O-N 3.15Å; G391-R400 WeakPolarHBondContact CA-O 2.87Å |
| 392 | R | 90.9 | Very high | 88.9 | Confident | 191 Ų | 191 | 78.8 Ų | 78.8 | 72% | 0.721 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 129 | 176 | -175.2 | -179.8 | -70.9 | -169.7 | -1.6 | 109.9 | I394 C399 R400 | R392-I394 PolarHBondContact O-N 2.85Å; R392-C399 CarbonylContact O-C 3.54Å; R392-C399 WeakPolarHBondContact O-CA 3.18Å; R392-R400 PolarHBondContact N-O 3.3Å; R392-R400 PolarHBondContact O-N 3.08Å |
| 393 | C | 91.1 | Very high | 89 | Confident | 23 Ų | 23 | 80 Ų | 80 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.5 | 172.9 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | S381 K382 C383 C387 G395 | S381-C393 PolarHBondContact OG-O 3.48Å; K382-C393 VanDerWaalsContact C-SG 3.57Å; C383-C393 WeakPolarHBondContact CA-SG 3.02Å; C383-C393 HydrophobicContact CB-CB 3.93Å; C383-C393 WeakPolarHBondContact CB-SG 3.37Å; C383-C393 PolarHBondContact N-SG 2.99Å; C383-C393 WeakPolarHBondContact SG-CB 3.42Å; C383-C393 CovalentContact SG-SG 2.04Å; C383-C393 PolarHBondContact SG-SG 2.79Å; C387-C393 PolarHBondContact SG-N 3.28Å; C393-G395 PolarHBondContact SG-O 2.8Å |
| 394 | I | 88.3 | Confident | 88.8 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 3.5 | 178.6 | 57.7 | 165 | 0 | 0 | 0 | 113 | Y373 S381 R392 L398 R400 | Y373-I394 PolarHBondContact OH-O 2.02Å; S381-I394 WeakPolarHBondContact OG-CA 3.38Å; R392-I394 PolarHBondContact O-N 2.85Å; I394-L398 HydrophobicContact CD1-CD2 4.13Å; I394-L398 HydrophobicContact CD1-CG 4.22Å; I394-L398 HydrophobicContact CG1-CB 4.47Å; I394-L398 HydrophobicContact CG1-CD2 4.35Å; I394-L398 HydrophobicContact CG1-CG 4.14Å; I394-L398 WeakPolarHBondContact CG1-O 2.93Å; I394-L398 PolarHBondContact N-O 3.24Å; I394-R400 HydrophobicContact CD1-CB 4.21Å; I394-R400 HydrophobicContact CG1-CB 4.47Å; I394-R400 HydrophobicContact CG2-CB 3.79Å |
| 395 | G | 84.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -153.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y373 C393 N397 | Y373-G395 VanDerWaalsContact OH-CA 3.31Å; Y373-G395 WeakPolarHBondContact OH-CA 3.49Å; C393-G395 PolarHBondContact SG-O 2.8Å; G395-N397 PolarHBondContact O-N 3.04Å |
| 396 | N | 85.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 82.7 Ų | 82.7 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 92.2 | -179.5 | -176.1 | 34.5 | 0 | 0 | 0 | 111.3 | K371 L398 | K371-N396 WeakPolarHBondContact O-CB 3.29Å; N396-L398 PolarHBondContact O-N 2.03Å |
| 397 | N | 85.4 | Confident | 88.9 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 28.9 | -179.5 | -72.6 | -21.2 | 0 | 0 | 0 | 113.8 | V384 I385 G395 H409 | V384-N397 WeakPolarHBondContact CB-OD1 3.2Å; V384-N397 PolarHBondContact N-OD1 3.46Å; I385-N397 PolarHBondContact N-OD1 3.39Å; I385-N397 VanDerWaalsContact N-OD1 3.07Å; G395-N397 PolarHBondContact O-N 3.04Å; N397-H409 PolarHBondContact O-CE1 2.98Å |
| 398 | L | 88.3 | Confident | 88.8 | Confident | 79 Ų | 79 | 82.9 Ų | 82.9 | 41% | 0.414 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.4 | 178.2 | -176.4 | 64.5 | 0 | 0 | 0 | 110.4 | I394 N396 | I394-L398 HydrophobicContact CD1-CD2 4.13Å; I394-L398 HydrophobicContact CD1-CG 4.22Å; I394-L398 HydrophobicContact CG1-CB 4.47Å; I394-L398 HydrophobicContact CG1-CD2 4.35Å; I394-L398 HydrophobicContact CG1-CG 4.14Å; I394-L398 WeakPolarHBondContact CG1-O 2.93Å; I394-L398 PolarHBondContact N-O 3.24Å; N396-L398 PolarHBondContact O-N 2.03Å |
| 399 | C | 91.6 | Very high | 88.9 | Confident | 10 Ų | 10 | 78.4 Ų | 78.4 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135 | -177.5 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | C387 R392 C401 D408 C410 | C387-C399 WeakPolarHBondContact CA-SG 3.22Å; C387-C399 HydrophobicContact CB-CB 3.72Å; C387-C399 WeakPolarHBondContact CB-SG 3.25Å; C387-C399 WeakPolarHBondContact SG-CB 3.26Å; C387-C399 CovalentContact SG-SG 2.01Å; C387-C399 PolarHBondContact SG-SG 3.47Å; R392-C399 CarbonylContact O-C 3.54Å; R392-C399 WeakPolarHBondContact O-CA 3.18Å; C399-C401 PolarHBondContact O-N 2.96Å; C399-D408 WeakPolarHBondContact CB-O 3.03Å; C399-D408 PolarHBondContact N-O 2.77Å; C399-D408 PolarHBondContact SG-O 2.03Å; C399-C410 VanDerWaalsContact CB-SG 3.59Å |
| 400 | R | 94 | Very high | 89 | Confident | 173 Ų | 173 | 73.9 Ų | 73.9 | 65% | 0.653 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.3 | 162.5 | 175.8 | 173.4 | -88.5 | 164.2 | -6.6 | 108.3 | G391 R392 I394 | G391-R400 WeakPolarHBondContact CA-O 2.87Å; R392-R400 PolarHBondContact N-O 3.3Å; R392-R400 PolarHBondContact O-N 3.08Å; I394-R400 HydrophobicContact CD1-CB 4.21Å; I394-R400 HydrophobicContact CG1-CB 4.47Å; I394-R400 HydrophobicContact CG2-CB 3.79Å |
| 401 | C | 93.2 | Very high | 89 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 146.6 | -175.1 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | C399 L405 G407 C410 | C399-C401 PolarHBondContact O-N 2.96Å; C401-L405 HydrophobicContact CB-CB 4.06Å; C401-L405 WeakPolarHBondContact CB-O 3.32Å; C401-G407 PolarHBondContact SG-O 3.34Å; C401-C410 WeakPolarHBondContact CA-SG 3.47Å; C401-C410 HydrophobicContact CB-CB 3.81Å; C401-C410 WeakPolarHBondContact CB-SG 3.36Å; C401-C410 WeakPolarHBondContact SG-CA 3.49Å; C401-C410 WeakPolarHBondContact SG-CB 3.38Å; C401-C410 CovalentContact SG-SG 2.04Å; C401-C410 PolarHBondContact SG-SG 3Å |
| 402 | P | 90.3 | Very high | 88.8 | Confident | 50 Ų | 50 | 73 Ų | 73 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 163.1 | 168.5 | -21.1 | 32.2 | 0 | 0 | 0 | 112.9 | N389 G404 L405 | N389-P402 WeakPolarHBondContact O-CG 3.23Å; P402-G404 PolarHBondContact O-N 3.36Å; P402-L405 HydrophobicContact CB-CD1 4.31Å; P402-L405 HydrophobicContact CG-CD1 4.21Å; P402-L405 PolarHBondContact O-N 3.44Å |
| 403 | N | 89 | Confident | 88.2 | Confident | 171 Ų | 171 | 65.9 Ų | 65.9 | 91% | 0.914 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 122.5 | -176 | -75.6 | -31.7 | 0 | 0 | 0 | 112.7 | ||
| 404 | G | 82.5 | Confident | 87.3 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -3.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P402 R414 | P402-G404 PolarHBondContact O-N 3.36Å; G404-R414 VanDerWaalsContact O-CG 3.23Å; G404-R414 WeakPolarHBondContact O-CG 3.4Å; G404-R414 PolarHBondContact O-N 3.16Å |
| 405 | L | 88.4 | Confident | 86.1 | Confident | 43 Ų | 43 | 81 Ų | 81 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | trans | -102.9 | 147.9 | 170.3 | -61.1 | 173.3 | 0 | 0 | 0 | 110 | N389 C401 P402 C410 I412 | N389-L405 HydrophobicContact CB-CD1 3.44Å; N389-L405 VanDerWaalsContact CB-CD1 3.44Å; C401-L405 HydrophobicContact CB-CB 4.06Å; C401-L405 WeakPolarHBondContact CB-O 3.32Å; P402-L405 HydrophobicContact CB-CD1 4.31Å; P402-L405 HydrophobicContact CG-CD1 4.21Å; P402-L405 PolarHBondContact O-N 3.44Å; L405-C410 HydrophobicContact CB-CB 4.45Å; L405-I412 CarbonylContact C-O 3.56Å; L405-I412 WeakPolarHBondContact CA-O 3Å | ||
| 406 | R | 86.6 | Confident | 84.8 | Confident | 194 Ų | 194 | 88.9 Ų | 88.9 | 73% | 0.732 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -144.1 | -179.8 | 179.5 | -60.9 | -176.5 | 79.1 | 151.4 | 1.2 | 109.8 | C410 E411 I412 | R406-C410 CarbonylContact O-C 3.36Å; R406-C410 WeakPolarHBondContact O-CA 2.96Å; R406-E411 PolarHBondContact O-N 3.38Å; R406-I412 HydrophobicContact CB-CB 4.4Å; R406-I412 PolarHBondContact N-O 3.29Å; R406-I412 WeakPolarHBondContact O-CA 3.37Å; R406-I412 VanDerWaalsContact O-CB 3.28Å; R406-I412 WeakPolarHBondContact O-CB 3.49Å; R406-I412 PolarHBondContact O-N 2.03Å |
| 407 | G | 87.8 | Confident | 83.5 | Confident | 24 Ų | 24 | 95.7 Ų | 95.7 | 25% | 0.247 | 46% | 0.458 | C | S | . | . | S | Bend | trans | 96.1 | 162.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C401 H409 C410 | C401-G407 PolarHBondContact SG-O 3.34Å; G407-H409 PolarHBondContact O-N 2.76Å; G407-C410 PolarHBondContact O-N 3.24Å |
| 408 | D | 89.1 | Confident | 82.2 | Confident | 102 Ų | 102 | 98 Ų | 98 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20 | -175.7 | -65.5 | -26.6 | 0 | 0 | 0 | 111.9 | C399 | C399-D408 WeakPolarHBondContact CB-O 3.03Å; C399-D408 PolarHBondContact N-O 2.77Å; C399-D408 PolarHBondContact SG-O 2.03Å |
| 409 | H | 91.8 | Very high | 81.1 | Confident | 35 Ų | 35 | 99.9 Ų | 99.9 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 16.8 | 178.8 | -57.5 | -67.1 | 0 | 0 | 0 | 113.6 | I385 K388 N397 G407 E411 | I385-H409 VanDerWaalsContact CB-CE1 3.47Å; I385-H409 WeakPolarHBondContact CB-CE1 3.37Å; K388-H409 WeakPolarHBondContact CB-O 3.03Å; K388-H409 PolarHBondContact N-O 3.35Å; N397-H409 PolarHBondContact O-CE1 2.98Å; G407-H409 PolarHBondContact O-N 2.76Å; H409-E411 WeakPolarHBondContact CA-OE2 2.99Å; H409-E411 VanDerWaalsContact CB-OE2 3.29Å; H409-E411 WeakPolarHBondContact CB-OE2 3.42Å; H409-E411 PolarHBondContact N-OE2 3.48Å; H409-E411 PolarHBondContact O-N 2.02Å |
| 410 | C | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 101 Ų | 101 | 0% | 0 | 49% | 0.493 | C | S | . | . | S | Bend | trans | 59.8 | 30 | -179 | -46.5 | 0 | 0 | 0 | 0 | 114.6 | K388 N389 C399 C401 L405 R406 G407 | K388-C410 WeakPolarHBondContact O-CB 3.2Å; N389-C410 PolarHBondContact ND2-O 3.21Å; C399-C410 VanDerWaalsContact CB-SG 3.59Å; C401-C410 WeakPolarHBondContact CA-SG 3.47Å; C401-C410 HydrophobicContact CB-CB 3.81Å; C401-C410 WeakPolarHBondContact CB-SG 3.36Å; C401-C410 WeakPolarHBondContact SG-CA 3.49Å; C401-C410 WeakPolarHBondContact SG-CB 3.38Å; C401-C410 CovalentContact SG-SG 2.04Å; C401-C410 PolarHBondContact SG-SG 3Å; L405-C410 HydrophobicContact CB-CB 4.45Å; R406-C410 CarbonylContact O-C 3.36Å; R406-C410 WeakPolarHBondContact O-CA 2.96Å; G407-C410 PolarHBondContact O-N 3.24Å |
| 411 | E | 89.1 | Confident | 79.2 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | trans | -82.2 | -19.2 | -179.7 | 71.2 | -76 | -178.6 | 0 | 0 | 113.4 | K388 R406 H409 | K388-E411 HydrophobicContact CD-CB 4.45Å; R406-E411 PolarHBondContact O-N 3.38Å; H409-E411 WeakPolarHBondContact CA-OE2 2.99Å; H409-E411 VanDerWaalsContact CB-OE2 3.29Å; H409-E411 WeakPolarHBondContact CB-OE2 3.42Å; H409-E411 PolarHBondContact N-OE2 3.48Å; H409-E411 PolarHBondContact O-N 2.02Å | ||
| 412 | I | 85.9 | Confident | 78.6 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -95.6 | 106.8 | -177 | -49.2 | 177.2 | 0 | 0 | 0 | 109.4 | L405 R406 | L405-I412 CarbonylContact C-O 3.56Å; L405-I412 WeakPolarHBondContact CA-O 3Å; R406-I412 HydrophobicContact CB-CB 4.4Å; R406-I412 PolarHBondContact N-O 3.29Å; R406-I412 WeakPolarHBondContact O-CA 3.37Å; R406-I412 VanDerWaalsContact O-CB 3.28Å; R406-I412 WeakPolarHBondContact O-CB 3.49Å; R406-I412 PolarHBondContact O-N 2.03Å |
| 413 | G | 79.3 | Confident | 78.3 | Confident | 40 Ų | 40 | 107.5 Ų | 107.5 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 168.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K415 | G413-K415 PolarHBondContact O-N 3.38Å; G413-K415 VanDerWaalsContact O-N 3.12Å |
| 414 | R | 70.9 | Confident | 78 | Confident | 206 Ų | 206 | 102.1 Ų | 102.1 | 78% | 0.777 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 119.9 | 168.2 | -73.2 | -167.7 | 165.5 | 174.1 | -3.5 | 109 | G404 Q416 | G404-R414 VanDerWaalsContact O-CG 3.23Å; G404-R414 WeakPolarHBondContact O-CG 3.4Å; G404-R414 PolarHBondContact O-N 3.16Å; R414-Q416 PolarHBondContact O-N 3.49Å |
| 415 | K | 62.7 | Low | 78.1 | Confident | 202 Ų | 202 | 101.5 Ų | 101.5 | 88% | 0.878 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 117.6 | 159.6 | -80.6 | -174.8 | 177.1 | -179.6 | 0 | 106.5 | G413 R417 | G413-K415 PolarHBondContact O-N 3.38Å; G413-K415 VanDerWaalsContact O-N 3.12Å; K415-R417 PolarHBondContact O-N 3.01Å |
| 416 | Q | 58.3 | Low | 77.9 | Confident | 168 Ų | 168 | 103 Ų | 103 | 79% | 0.785 | 49% | 0.491 | S | S | * | . | trans | -57.8 | 109.8 | 168.7 | -72.2 | -156.8 | 7.2 | 0 | 0 | 106.6 | R414 S418 | R414-Q416 PolarHBondContact O-N 3.49Å; Q416-S418 PolarHBondContact O-N 2.75Å | ||
| 417 | R | 57.3 | Low | 77.6 | Confident | 229 Ų | 229 | 96.7 Ų | 96.7 | 86% | 0.864 | 48% | 0.476 | S | S | * | . | trans | -59.8 | 113.9 | 175.8 | -150.3 | 174.6 | -176.1 | 174.2 | 0.8 | 104.9 | K415 I419 | K415-R417 PolarHBondContact O-N 3.01Å; R417-I419 WeakPolarHBondContact O-CG1 3.46Å; R417-I419 PolarHBondContact O-N 2.96Å | ||
| 418 | S | 59.7 | Low | 77.1 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | trans | -64.5 | 102.2 | 178 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | Q416 C420 | Q416-S418 PolarHBondContact O-N 2.75Å; S418-C420 PolarHBondContact O-N 2.04Å | ||
| 419 | I | 63.7 | Low | 75.9 | Confident | 120 Ų | 120 | 98.5 Ų | 98.5 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | trans | -78.7 | 51.6 | -178.5 | -55.3 | 157.5 | 0 | 0 | 0 | 109.6 | R417 K421 | R417-I419 WeakPolarHBondContact O-CG1 3.46Å; R417-I419 PolarHBondContact O-N 2.96Å; I419-K421 PolarHBondContact O-N 2.84Å | ||
| 420 | C | 68.4 | Low | 74.5 | Confident | 32 Ų | 32 | 103 Ų | 103 | 22% | 0.216 | 51% | 0.509 | C | S | . | . | trans | -94.1 | 91.3 | 172.1 | -93 | 0 | 0 | 0 | 0 | 109.6 | S418 C422 C427 S429 | S418-C420 PolarHBondContact O-N 2.04Å; C420-C422 VanDerWaalsContact C-N 3.28Å; C420-C422 PolarHBondContact O-N 3.09Å; C420-C427 HydrophobicContact CB-CB 3.42Å; C420-C427 VanDerWaalsContact CB-CB 3.42Å; C420-C427 WeakPolarHBondContact CB-SG 3Å; C420-C427 WeakPolarHBondContact SG-CB 3.3Å; C420-C427 CovalentContact SG-SG 2.03Å; C420-C427 PolarHBondContact SG-SG 2.83Å; C420-S429 PolarHBondContact SG-O 2.79Å | ||
| 421 | K | 77.5 | Confident | 73.3 | Confident | 167 Ų | 167 | 111.2 Ų | 111.2 | 73% | 0.726 | 55% | 0.545 | S | S | * | . | trans | -88.2 | 60.6 | 170.2 | -65.6 | -176.7 | 179.1 | -178.1 | 0 | 110.3 | I419 H443 | I419-K421 PolarHBondContact O-N 2.84Å; K421-H443 WeakPolarHBondContact O-CB 3.38Å; K421-H443 PolarHBondContact O-ND1 3Å | ||
| 422 | C | 81.4 | Confident | 72.7 | Confident | 29 Ų | 29 | 112.9 Ų | 112.9 | 20% | 0.196 | 55% | 0.553 | C | S | . | * | trans | -84.7 | 123 | 176.4 | -46.2 | 0 | 0 | 0 | 0 | 108.9 | C420 G425 C433 | C420-C422 VanDerWaalsContact C-N 3.28Å; C420-C422 PolarHBondContact O-N 3.09Å; C422-G425 VanDerWaalsContact CB-O 3.23Å; C422-G425 WeakPolarHBondContact CB-O 3.4Å; C422-C433 WeakPolarHBondContact CA-SG 3.07Å; C422-C433 HydrophobicContact CB-CB 3.78Å; C422-C433 WeakPolarHBondContact CB-SG 3.22Å; C422-C433 VanDerWaalsContact SG-CA 3.57Å; C422-C433 WeakPolarHBondContact SG-CB 3.08Å; C422-C433 CovalentContact SG-SG 2.02Å; C422-C433 PolarHBondContact SG-SG 2.99Å | ||
| 423 | R | 82.9 | Confident | 72.7 | Confident | 199 Ų | 199 | 108.9 Ų | 108.9 | 75% | 0.751 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -83.4 | -54.7 | 179.2 | -168.2 | 174.2 | -179.2 | 174.3 | 0.5 | 111.5 | H443 N445 | R423-H443 PolarHBondContact N-O 3.08Å; R423-N445 WeakPolarHBondContact CB-OD1 3.17Å |
| 424 | N | 83.2 | Confident | 73.1 | Confident | 58 Ų | 58 | 113.6 Ų | 113.6 | 31% | 0.31 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -121.6 | 57.3 | 178.3 | -69.3 | -14.9 | 0 | 0 | 0 | 111.1 | H436 F439 C444 | N424-H436 PolarHBondContact O-CD2 3.16Å; N424-H436 PolarHBondContact O-N 2.88Å; N424-F439 HydrophobicContact CB-CB 4.33Å; N424-F439 HydrophobicContact CB-CD1 3.97Å; N424-F439 HydrophobicContact CB-CD2 3.97Å; N424-F439 HydrophobicContact CB-CE1 4.29Å; N424-F439 HydrophobicContact CB-CE2 4.27Å; N424-F439 HydrophobicContact CB-CG 3.81Å; N424-F439 HydrophobicContact CB-CZ 4.42Å; N424-F439 WeakPolarHBondContact ND2-CD1 2.99Å; N424-F439 WeakPolarHBondContact ND2-CE1 3.18Å; N424-F439 WeakPolarHBondContact ND2-CZ 3.14Å; N424-C444 HydrophobicContact CB-CB 4.5Å; N424-C444 WeakPolarHBondContact O-CB 3.45Å |
| 425 | G | 85.6 | Confident | 74 | Confident | 14 Ų | 14 | 105.6 Ų | 105.6 | 14% | 0.144 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 162.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C422 K434 H436 | C422-G425 VanDerWaalsContact CB-O 3.23Å; C422-G425 WeakPolarHBondContact CB-O 3.4Å; G425-K434 CarbonylContact C-O 3.59Å; G425-K434 WeakPolarHBondContact CA-O 3.44Å; G425-H436 PolarHBondContact N-CD2 3.34Å |
| 426 | T | 84.1 | Confident | 75.3 | Confident | 74 Ų | 74 | 100.3 Ų | 100.3 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.1 | 176.2 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | V428 K434 | T426-V428 PolarHBondContact O-N 3.38Å; T426-K434 PolarHBondContact N-O 2.9Å; T426-K434 PolarHBondContact O-N 3.33Å |
| 427 | C | 80.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 98.4 Ų | 98.4 | 43% | 0.426 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.6 | 174 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | C420 S429 | C420-C427 HydrophobicContact CB-CB 3.42Å; C420-C427 VanDerWaalsContact CB-CB 3.42Å; C420-C427 WeakPolarHBondContact CB-SG 3Å; C420-C427 WeakPolarHBondContact SG-CB 3.3Å; C420-C427 CovalentContact SG-SG 2.03Å; C420-C427 PolarHBondContact SG-SG 2.83Å; C427-S429 PolarHBondContact SG-O 3.02Å |
| 428 | V | 76.8 | Confident | 77.8 | Confident | 99 Ų | 99 | 89.1 Ų | 89.1 | 60% | 0.6 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | -25.7 | -178.1 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | T426 H432 K434 | T426-V428 PolarHBondContact O-N 3.38Å; V428-H432 PolarHBondContact N-O 3.09Å; V428-H432 VanDerWaalsContact N-O 3.08Å; V428-K434 HydrophobicContact CG2-CB 3.39Å; V428-K434 HydrophobicContact CG2-CD 4.08Å; V428-K434 HydrophobicContact CG2-CG 4.37Å |
| 429 | S | 63.2 | Low | 79.1 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 166.1 | 172.7 | 71.9 | 0 | 0 | 0 | 0 | 110.2 | C420 C427 K431 H432 | C420-S429 PolarHBondContact SG-O 2.79Å; C427-S429 PolarHBondContact SG-O 3.02Å; S429-K431 PolarHBondContact O-N 3.44Å; S429-H432 PolarHBondContact O-N 2.85Å; S429-H432 VanDerWaalsContact OG-CB 3.31Å; S429-H432 WeakPolarHBondContact OG-CB 3.42Å |
| 430 | H | 64.3 | Low | 80.2 | Confident | 128 Ų | 128 | 87.9 Ų | 87.9 | 59% | 0.593 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -10.7 | -172.1 | -66.8 | 101.9 | 0 | 0 | 0 | 117 | ||
| 431 | K | 64.8 | Low | 80.7 | Confident | 174 Ų | 174 | 88.5 Ų | 88.5 | 76% | 0.757 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.5 | 5 | 175.5 | -66.5 | -176 | -179.5 | 175.1 | 0 | 115.3 | S429 | S429-K431 PolarHBondContact O-N 3.44Š|
| 432 | H | 77.4 | Confident | 80.9 | Confident | 125 Ų | 125 | 90.6 Ų | 90.6 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.1 | -172.5 | -156.8 | -87.7 | 0 | 0 | 0 | 112.5 | V428 S429 | V428-H432 PolarHBondContact N-O 3.09Å; V428-H432 VanDerWaalsContact N-O 3.08Å; S429-H432 PolarHBondContact O-N 2.85Å; S429-H432 VanDerWaalsContact OG-CB 3.31Å; S429-H432 WeakPolarHBondContact OG-CB 3.42Å |
| 433 | C | 85 | Confident | 81 | Confident | 11 Ų | 11 | 92.8 Ų | 92.8 | 7% | 0.074 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | C422 R442 C444 | C422-C433 WeakPolarHBondContact CA-SG 3.07Å; C422-C433 HydrophobicContact CB-CB 3.78Å; C422-C433 WeakPolarHBondContact CB-SG 3.22Å; C422-C433 VanDerWaalsContact SG-CA 3.57Å; C422-C433 WeakPolarHBondContact SG-CB 3.08Å; C422-C433 CovalentContact SG-SG 2.02Å; C422-C433 PolarHBondContact SG-SG 2.99Å; C433-R442 PolarHBondContact SG-O 3.02Å; C433-C444 VanDerWaalsContact CB-SG 3.58Å |
| 434 | K | 88.8 | Confident | 81.3 | Confident | 139 Ų | 139 | 83.3 Ų | 83.3 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 110.1 | 164.9 | -177.5 | -179.5 | -177 | 179.8 | 0 | 108.2 | G425 T426 V428 | G425-K434 CarbonylContact C-O 3.59Å; G425-K434 WeakPolarHBondContact CA-O 3.44Å; T426-K434 PolarHBondContact N-O 2.9Å; T426-K434 PolarHBondContact O-N 3.33Å; V428-K434 HydrophobicContact CG2-CB 3.39Å; V428-K434 HydrophobicContact CG2-CD 4.08Å; V428-K434 HydrophobicContact CG2-CG 4.37Å |
| 435 | C | 88.4 | Confident | 81.4 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 143.9 | -175.7 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | F439 G441 C444 | C435-F439 HydrophobicContact CB-CB 4.26Å; C435-F439 WeakPolarHBondContact CB-O 3.37Å; C435-G441 PolarHBondContact SG-O 3.23Å; C435-G441 VanDerWaalsContact SG-O 3.37Å; C435-C444 WeakPolarHBondContact CA-SG 3.27Å; C435-C444 HydrophobicContact CB-CB 3.65Å; C435-C444 WeakPolarHBondContact CB-SG 3.2Å; C435-C444 PolarHBondContact N-SG 3.09Å; C435-C444 WeakPolarHBondContact SG-CA 3.23Å; C435-C444 WeakPolarHBondContact SG-CB 3.42Å; C435-C444 CovalentContact SG-SG 2.03Å; C435-C444 PolarHBondContact SG-SG 2.88Å |
| 436 | H | 90.8 | Very high | 81.3 | Confident | 91 Ų | 91 | 85.7 Ų | 85.7 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.8 | 170.9 | -66.2 | -54.3 | 0 | 0 | 0 | 111 | N424 G425 G438 F439 | N424-H436 PolarHBondContact O-CD2 3.16Å; N424-H436 PolarHBondContact O-N 2.88Å; G425-H436 PolarHBondContact N-CD2 3.34Å; H436-G438 PolarHBondContact O-N 3.23Å; H436-F439 HydrophobicContact CB-CD2 4.5Å; H436-F439 PolarHBondContact O-N 3.21Å |
| 437 | P | 85.7 | Confident | 81.2 | Confident | 127 Ų | 127 | 91.1 Ų | 91.1 | 83% | 0.825 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 131.6 | -179.4 | -25.4 | 34.1 | 0 | 0 | 0 | 112.1 | ||
| 438 | G | 83.2 | Confident | 81.3 | Confident | 35 Ų | 35 | 94.9 Ų | 94.9 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -1.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | H436 R447 K448 | H436-G438 PolarHBondContact O-N 3.23Å; G438-R447 CarbonylContact O-C 3.44Å; G438-R447 WeakPolarHBondContact O-CA 3.42Å; G438-K448 PolarHBondContact O-N 2.79Å |
| 439 | F | 87.1 | Confident | 81.1 | Confident | 47 Ų | 47 | 101.3 Ų | 101.3 | 21% | 0.206 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 153 | 173.5 | -63.3 | -87.9 | 0 | 0 | 0 | 112.4 | N424 C435 H436 G446 R447 | N424-F439 HydrophobicContact CB-CB 4.33Å; N424-F439 HydrophobicContact CB-CD1 3.97Å; N424-F439 HydrophobicContact CB-CD2 3.97Å; N424-F439 HydrophobicContact CB-CE1 4.29Å; N424-F439 HydrophobicContact CB-CE2 4.27Å; N424-F439 HydrophobicContact CB-CG 3.81Å; N424-F439 HydrophobicContact CB-CZ 4.42Å; N424-F439 WeakPolarHBondContact ND2-CD1 2.99Å; N424-F439 WeakPolarHBondContact ND2-CE1 3.18Å; N424-F439 WeakPolarHBondContact ND2-CZ 3.14Å; C435-F439 HydrophobicContact CB-CB 4.26Å; C435-F439 WeakPolarHBondContact CB-O 3.37Å; H436-F439 HydrophobicContact CB-CD2 4.5Å; H436-F439 PolarHBondContact O-N 3.21Å; F439-G446 CarbonylContact C-O 3.59Å; F439-G446 WeakPolarHBondContact CA-O 2.98Å; F439-G446 WeakPolarHBondContact CD1-O 3.4Å; F439-R447 HydrophobicContact CD1-CB 4.14Å; F439-R447 HydrophobicContact CD1-CG 4.03Å; F439-R447 HydrophobicContact CE1-CB 3.98Å; F439-R447 HydrophobicContact CE1-CG 3.59Å; F439-R447 HydrophobicContact CZ-CG 3.99Å |
| 440 | Y | 84.8 | Confident | 81 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 170.1 | -179.5 | 73.2 | -81.7 | 0 | 0 | 0 | 112.7 | N445 G446 K448 | Y440-N445 PolarHBondContact O-N 2.75Å; Y440-G446 WeakPolarHBondContact CD1-O 3.08Å; Y440-G446 PolarHBondContact N-O 3.39Å; Y440-G446 PolarHBondContact O-N 2.96Å; Y440-K448 HydrophobicContact CD1-CG 3.63Å; Y440-K448 HydrophobicContact CE1-CG 4.2Å; Y440-K448 HydrophobicContact CG-CG 4.46Å |
| 441 | G | 80.8 | Confident | 80.5 | Confident | 45 Ų | 45 | 112.5 Ų | 112.5 | 46% | 0.464 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 97.4 | 164.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C435 H443 C444 | C435-G441 PolarHBondContact SG-O 3.23Å; C435-G441 VanDerWaalsContact SG-O 3.37Å; G441-H443 PolarHBondContact O-N 2.97Å; G441-C444 PolarHBondContact O-N 3.13Å |
| 442 | R | 80.1 | Confident | 79.9 | Confident | 211 Ų | 211 | 110.1 Ų | 110.1 | 80% | 0.796 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.6 | -172.1 | -174.5 | -178.9 | -77 | -175.5 | -2.9 | 114.3 | C433 | C433-R442 PolarHBondContact SG-O 3.02Š|
| 443 | H | 84.5 | Confident | 78.4 | Confident | 75 Ų | 75 | 112.7 Ų | 112.7 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 9.5 | 178.8 | -63.5 | -58.4 | 0 | 0 | 0 | 113.5 | K421 R423 G441 N445 | K421-H443 WeakPolarHBondContact O-CB 3.38Å; K421-H443 PolarHBondContact O-ND1 3Å; R423-H443 PolarHBondContact N-O 3.08Å; G441-H443 PolarHBondContact O-N 2.97Å; H443-N445 VanDerWaalsContact C-N 3.31Å; H443-N445 PolarHBondContact O-N 3.1Å; H443-N445 PolarHBondContact O-OD1 3.31Å |
| 444 | C | 87.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 123.2 Ų | 123.2 | 0% | 0 | 57% | 0.571 | C | S | . | * | S | Bend | trans | 58.8 | 38.7 | -178.5 | -49.2 | 0 | 0 | 0 | 0 | 113.9 | N424 C433 C435 G441 | N424-C444 HydrophobicContact CB-CB 4.5Å; N424-C444 WeakPolarHBondContact O-CB 3.45Å; C433-C444 VanDerWaalsContact CB-SG 3.58Å; C435-C444 WeakPolarHBondContact CA-SG 3.27Å; C435-C444 HydrophobicContact CB-CB 3.65Å; C435-C444 WeakPolarHBondContact CB-SG 3.2Å; C435-C444 PolarHBondContact N-SG 3.09Å; C435-C444 WeakPolarHBondContact SG-CA 3.23Å; C435-C444 WeakPolarHBondContact SG-CB 3.42Å; C435-C444 CovalentContact SG-SG 2.03Å; C435-C444 PolarHBondContact SG-SG 2.88Å; G441-C444 PolarHBondContact O-N 3.13Å |
| 445 | N | 86.8 | Confident | 74 | Confident | 101 Ų | 101 | 123.7 Ų | 123.7 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | trans | -91.2 | -22.7 | 179.6 | -70.4 | -15.7 | 0 | 0 | 0 | 113 | R423 Y440 H443 | R423-N445 WeakPolarHBondContact CB-OD1 3.17Å; Y440-N445 PolarHBondContact O-N 2.75Å; H443-N445 VanDerWaalsContact C-N 3.31Å; H443-N445 PolarHBondContact O-N 3.1Å; H443-N445 PolarHBondContact O-OD1 3.31Å | ||
| 446 | G | 81.8 | Confident | 71.9 | Confident | 22 Ų | 22 | 129.1 Ų | 129.1 | 23% | 0.227 | 61% | 0.607 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | F439 Y440 | F439-G446 CarbonylContact C-O 3.59Å; F439-G446 WeakPolarHBondContact CA-O 2.98Å; F439-G446 WeakPolarHBondContact CD1-O 3.4Å; Y440-G446 WeakPolarHBondContact CD1-O 3.08Å; Y440-G446 PolarHBondContact N-O 3.39Å; Y440-G446 PolarHBondContact O-N 2.96Å |
| 447 | R | 82.8 | Confident | 69.4 | Low | 188 Ų | 188 | 132.4 Ų | 132.4 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.8 | 178.3 | -156.2 | 174.4 | -170.2 | -177.7 | 1.7 | 109.3 | G438 F439 R449 | G438-R447 CarbonylContact O-C 3.44Å; G438-R447 WeakPolarHBondContact O-CA 3.42Å; F439-R447 HydrophobicContact CD1-CB 4.14Å; F439-R447 HydrophobicContact CD1-CG 4.03Å; F439-R447 HydrophobicContact CE1-CB 3.98Å; F439-R447 HydrophobicContact CE1-CG 3.59Å; F439-R447 HydrophobicContact CZ-CG 3.99Å; R447-R449 PolarHBondContact O-N 3.5Å |
| 448 | K | 81.5 | Confident | 67.1 | Low | 142 Ų | 142 | 131.7 Ų | 131.7 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 124.4 | 178.6 | -63 | -171.6 | 179.2 | -174.7 | 0 | 109 | G438 Y440 | G438-K448 PolarHBondContact O-N 2.79Å; Y440-K448 HydrophobicContact CD1-CG 3.63Å; Y440-K448 HydrophobicContact CE1-CG 4.2Å; Y440-K448 HydrophobicContact CG-CG 4.46Å |
| 449 | R | 74.1 | Confident | 65.1 | Low | 233 Ų | 233 | 138.9 Ų | 138.9 | 88% | 0.879 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 135.4 | 174.4 | -69.5 | -173.9 | 176.7 | 174.1 | -1 | 109.4 | R447 | R447-R449 PolarHBondContact O-N 3.5Š|
| 450 | R | 61.1 | Low | 62.8 | Low | 239 Ų | 239 | 149.2 Ų | 149.2 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117.3 | 171.2 | -75.5 | -178.1 | 178.9 | 169.3 | -1.5 | 108 | ||
| 451 | H | 52.6 | Low | 61.7 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 88% | 0.88 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119 | 161.7 | -84 | -81.7 | 0 | 0 | 0 | 107.8 | ||
| 452 | V | 52 | Low | 60.7 | Low | 123 Ų | 123 | 155.8 Ų | 155.8 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | trans | -91.2 | 109.1 | 169.9 | 176.6 | 0 | 0 | 0 | 0 | 106.2 | R454 | V452-R454 PolarHBondContact O-N 2.66Š| ||
| 453 | H | 47 | Very low | 59.6 | Low | 179 Ų | 179 | 152.7 Ų | 152.7 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -71.9 | 118.3 | 164.5 | -113.5 | -53.5 | 0 | 0 | 0 | 107.7 | ||||
| 454 | R | 42.2 | Very low | 58.1 | Low | 232 Ų | 232 | 157.3 Ų | 157.3 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | trans | -109.4 | 117.3 | 160.5 | -102.4 | -177.8 | 174.9 | 174.7 | -2.7 | 106.7 | V452 | V452-R454 PolarHBondContact O-N 2.66Š| ||
| 455 | N | 38.3 | Very low | 56.3 | Low | 149 Ų | 149 | 167.1 Ų | 167.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -74 | 146 | 167.3 | -81.1 | -9.3 | 0 | 0 | 0 | 109.6 | ||||
| 456 | D | 44.4 | Very low | 54.2 | Low | 154 Ų | 154 | 171.5 Ų | 171.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -59 | 144.1 | 174.1 | -96.2 | -43.3 | 0 | 0 | 0 | 113.4 | ||||
| 457 | D | 39 | Very low | 52.2 | Low | 159 Ų | 159 | 182.2 Ų | 182.2 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | -167.3 | 103.9 | 144.8 | -95.6 | -33 | 0 | 0 | 0 | 108.3 | ||||
| 458 | S | 36.1 | Very low | 49.9 | Very low | 113 Ų | 113 | 181.8 Ų | 181.8 | 79% | 0.79 | 84% | 0.843 | S | S | * | * | 164.3 | 121.5 | 125.7 | 43.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 459 | K | 41.7 | Very low | 47.3 | Very low | 185 Ų | 185 | 185.1 Ų | 185.1 | 80% | 0.804 | 86% | 0.861 | S | S | * | * | trans | 99.1 | 115 | 138 | -85.4 | -177.3 | 177.6 | -179.8 | 0 | 122 | ||||
| 460 | F | 38.8 | Very low | 44.8 | Very low | 265 Ų | 265 | 180.7 Ų | 180.7 | 100% | 1.162 | 86% | 0.86 | S | S | * | * | trans | 77.1 | 0 | 151.4 | -75.6 | -77.6 | 0 | 0 | 0 | 119.8 |
Retrieved 460 of 460 residues in 354.1 ms
(Link to these results)