| 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 | 27.4 | Very low | 64.6 | Low | 247 Ų | 247 | 69.1 Ų | 69.1 | 100% | 1.217 | 39% | 0.388 | S | S | * | . | 0 | 112.3 | 0 | -68.2 | 165.6 | 174.3 | 0 | 0 | 107.2 | |||||
| 2 | C | 29.6 | Very low | 66.6 | Low | 97 Ų | 97 | 72.8 Ų | 72.8 | 66% | 0.655 | 39% | 0.393 | S | S | * | . | trans | -99.1 | 127.4 | 165.1 | -62.8 | 0 | 0 | 0 | 0 | 106.3 | P4 | C2-P4 WeakPolarHBondContact O-CD 3.4Š| ||
| 3 | D | 45.7 | Very low | 68 | Low | 100 Ų | 100 | 73.4 Ų | 73.4 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | trans | -91.7 | 116.9 | 178.7 | 174.6 | 32.5 | 0 | 0 | 0 | 110.9 | E5 G6 | D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 3.5Å; D3-E5 WeakPolarHBondContact OD1-CB 3.11Å; D3-E5 PolarHBondContact OD1-N 3.1Å; D3-G6 PolarHBondContact OD2-N 2.89Å; D3-G6 VanDerWaalsContact OD2-N 3.1Å | ||
| 4 | P | 50 | Low | 69.4 | Low | 56 Ų | 56 | 70 Ų | 70 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -72.7 | -18.3 | 173.7 | -14.6 | 31.2 | 0 | 0 | 0 | 113.4 | C2 T64 | C2-P4 WeakPolarHBondContact O-CD 3.4Å; P4-T64 HydrophobicContact CB-CG2 4.21Å; P4-T64 WeakPolarHBondContact O-CG2 3.41Å |
| 5 | E | 54.7 | Low | 70.5 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -76.9 | -28.1 | -172.7 | -59.3 | -163.8 | 170.1 | 0 | 0 | 113.5 | D3 I7 K8 S9 K60 | D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 3.5Å; D3-E5 WeakPolarHBondContact OD1-CB 3.11Å; D3-E5 PolarHBondContact OD1-N 3.1Å; E5-I7 PolarHBondContact O-N 3.4Å; E5-K8 WeakPolarHBondContact O-CB 3.48Å; E5-K8 PolarHBondContact O-N 2.84Å; E5-S9 PolarHBondContact O-N 2.94Å; E5-K60 WeakPolarHBondContact OE1-CE 3.47Å; E5-K60 IonicContact OE1-NZ 2.62Å; E5-K60 PolarHBondContact OE1-NZ 3.31Å |
| 6 | G | 75.2 | Confident | 71.5 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -46 | -40.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D3 F10 | D3-G6 PolarHBondContact OD2-N 2.89Å; D3-G6 VanDerWaalsContact OD2-N 3.1Å; G6-F10 WeakPolarHBondContact O-CB 3.5Å; G6-F10 PolarHBondContact O-N 3.13Å |
| 7 | I | 83.6 | Confident | 72 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -77.8 | -27.6 | 179.9 | -159.1 | 158.7 | 0 | 0 | 0 | 113.8 | E5 L11 T64 R68 V71 V85 | E5-I7 PolarHBondContact O-N 3.4Å; I7-L11 PolarHBondContact O-N 3.42Å; I7-L11 VanDerWaalsContact O-N 3.11Å; I7-T64 HydrophobicContact CG2-CG2 3.75Å; I7-R68 HydrophobicContact CD1-CB 3.99Å; I7-R68 HydrophobicContact CD1-CG 3.77Å; I7-V71 HydrophobicContact CG1-CG2 4.31Å; I7-V85 HydrophobicContact CD1-CG1 3.85Å |
| 8 | K | 85.9 | Confident | 72.4 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 14% | 0.143 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -71.9 | -45.8 | 172.8 | -67.6 | -165.8 | -69.7 | 159.4 | 0 | 110.7 | E5 F10 L11 Y12 Q63 T64 A67 | E5-K8 WeakPolarHBondContact O-CB 3.48Å; E5-K8 PolarHBondContact O-N 2.84Å; K8-F10 VanDerWaalsContact C-N 3.35Å; K8-L11 PolarHBondContact O-N 3.07Å; K8-Y12 PolarHBondContact O-N 3.23Å; K8-Q63 HydrophobicContact CD-CB 4.29Å; K8-Q63 HydrophobicContact CD-CG 4Å; K8-T64 WeakPolarHBondContact CE-OG1 3.19Å; K8-A67 HydrophobicContact CG-CB 3.83Å |
| 9 | S | 83.6 | Confident | 72.6 | Confident | 67 Ų | 67 | 74.2 Ų | 74.2 | 47% | 0.469 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.5 | -61.7 | 0 | 0 | 0 | 0 | 111 | E5 L11 Y12 T13 | E5-S9 PolarHBondContact O-N 2.94Å; S9-L11 PolarHBondContact O-N 3.21Å; S9-Y12 PolarHBondContact O-N 3.42Å; S9-T13 WeakPolarHBondContact O-CB 3.3Å; S9-T13 PolarHBondContact O-N 3.35Å; S9-T13 PolarHBondContact O-OG1 3.15Å; S9-T13 VanDerWaalsContact O-OG1 3.1Å |
| 10 | F | 88.1 | Confident | 73 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.9 | -48.4 | 174.4 | 177.3 | -96.6 | 0 | 0 | 0 | 112.9 | G6 K8 T13 F14 V71 I80 S84 V85 | G6-F10 WeakPolarHBondContact O-CB 3.5Å; G6-F10 PolarHBondContact O-N 3.13Å; K8-F10 VanDerWaalsContact C-N 3.35Å; F10-T13 PolarHBondContact O-N 2.95Å; F10-F14 WeakPolarHBondContact O-CB 3.36Å; F10-F14 PolarHBondContact O-N 2.94Å; F10-V71 HydrophobicContact CD1-CG1 4.27Å; F10-V71 HydrophobicContact CD1-CG2 4.09Å; F10-V71 HydrophobicContact CE1-CG1 3.95Å; F10-V71 HydrophobicContact CE1-CG2 4.38Å; F10-I80 HydrophobicContact CE1-CD1 3.91Å; F10-I80 HydrophobicContact CE1-CG2 4.23Å; F10-I80 HydrophobicContact CZ-CD1 4.32Å; F10-I80 HydrophobicContact CZ-CG2 3.94Å; F10-S84 WeakPolarHBondContact CE2-O 3.35Å; F10-V85 HydrophobicContact CE1-CG2 4.1Å; F10-V85 HydrophobicContact CZ-CG2 4.33Å |
| 11 | L | 87 | Confident | 73.6 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 178.1 | 179.6 | 59.7 | 0 | 0 | 0 | 112 | I7 K8 S9 F14 L15 P23 A67 F70 V71 L74 | I7-L11 PolarHBondContact O-N 3.42Å; I7-L11 VanDerWaalsContact O-N 3.11Å; K8-L11 PolarHBondContact O-N 3.07Å; S9-L11 PolarHBondContact O-N 3.21Å; L11-F14 PolarHBondContact O-N 3.04Å; L11-L15 HydrophobicContact CD1-CD1 3.7Å; L11-L15 HydrophobicContact CD1-CG 4.04Å; L11-L15 HydrophobicContact CG-CD1 3.99Å; L11-L15 WeakPolarHBondContact O-CG 3.25Å; L11-L15 PolarHBondContact O-N 2.73Å; L11-P23 HydrophobicContact CD2-CB 4.35Å; L11-P23 HydrophobicContact CG-CB 4.47Å; L11-P23 HydrophobicContact CG-CG 4.38Å; L11-A67 HydrophobicContact CD2-CB 3.94Å; L11-F70 HydrophobicContact CD1-CD1 3.83Å; L11-F70 HydrophobicContact CD1-CG 4.45Å; L11-F70 HydrophobicContact CD2-CB 3.86Å; L11-F70 HydrophobicContact CD2-CD1 4.42Å; L11-F70 HydrophobicContact CD2-CG 4.25Å; L11-V71 HydrophobicContact CB-CG2 3.8Å; L11-V71 HydrophobicContact CD1-CG2 3.87Å; L11-V71 HydrophobicContact CD2-CG2 4.43Å; L11-V71 HydrophobicContact CG-CG2 4.23Å; L11-L74 HydrophobicContact CD1-CD1 3.77Å |
| 12 | Y | 88.6 | Confident | 76.3 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -51.9 | 177.3 | -174.8 | -83.8 | 0 | 0 | 0 | 111.2 | K8 S9 F14 L15 Q16 A22 P23 | K8-Y12 PolarHBondContact O-N 3.23Å; S9-Y12 PolarHBondContact O-N 3.42Å; Y12-F14 VanDerWaalsContact C-N 3.34Å; Y12-F14 PolarHBondContact O-N 2.69Å; Y12-L15 PolarHBondContact O-N 2.92Å; Y12-Q16 HydrophobicContact CE1-CB 4.33Å; Y12-Q16 HydrophobicContact CE1-CG 4.35Å; Y12-Q16 WeakPolarHBondContact O-CB 3.15Å; Y12-Q16 PolarHBondContact O-N 3.32Å; Y12-A22 HydrophobicContact CE2-CB 3.9Å; Y12-P23 HydrophobicContact CD2-CG 4.07Å |
| 13 | T | 85.2 | Confident | 78.9 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 177.5 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | S9 F10 T17 | S9-T13 WeakPolarHBondContact O-CB 3.3Å; S9-T13 PolarHBondContact O-N 3.35Å; S9-T13 PolarHBondContact O-OG1 3.15Å; S9-T13 VanDerWaalsContact O-OG1 3.1Å; F10-T13 PolarHBondContact O-N 2.95Å; T13-T17 WeakPolarHBondContact O-CB 3.47Å; T13-T17 PolarHBondContact O-N 3.39Å; T13-T17 PolarHBondContact O-OG1 3.03Å |
| 14 | F | 86.8 | Confident | 81 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -55.6 | 177.5 | 177.2 | -93.8 | 0 | 0 | 0 | 111.7 | F10 L11 Y12 Q16 T17 K18 L74 E79 I80 | F10-F14 WeakPolarHBondContact O-CB 3.36Å; F10-F14 PolarHBondContact O-N 2.94Å; L11-F14 PolarHBondContact O-N 3.04Å; Y12-F14 VanDerWaalsContact C-N 3.34Å; Y12-F14 PolarHBondContact O-N 2.69Å; F14-Q16 VanDerWaalsContact C-N 3.35Å; F14-Q16 PolarHBondContact O-N 2.7Å; F14-T17 PolarHBondContact O-N 2.82Å; F14-K18 HydrophobicContact CD2-CG 4.03Å; F14-K18 HydrophobicContact CE2-CB 4.31Å; F14-K18 HydrophobicContact CE2-CD 4.35Å; F14-K18 HydrophobicContact CE2-CG 3.7Å; F14-K18 HydrophobicContact CZ-CB 4.26Å; F14-K18 HydrophobicContact CZ-CG 4.11Å; F14-K18 VanDerWaalsContact O-CB 3.29Å; F14-K18 WeakPolarHBondContact O-CB 3.19Å; F14-K18 PolarHBondContact O-N 3.17Å; F14-L74 HydrophobicContact CD1-CD1 3.96Å; F14-L74 HydrophobicContact CE1-CD1 3.96Å; F14-E79 HydrophobicContact CZ-CB 4.27Å; F14-E79 WeakPolarHBondContact CZ-O 3.32Å; F14-I80 HydrophobicContact CB-CD1 4.48Å; F14-I80 HydrophobicContact CD1-CD1 3.8Å; F14-I80 HydrophobicContact CD1-CG1 4.23Å; F14-I80 HydrophobicContact CD2-CD1 3.84Å; F14-I80 HydrophobicContact CD2-CG1 3.8Å; F14-I80 HydrophobicContact CE1-CD1 3.94Å; F14-I80 HydrophobicContact CE1-CG1 3.92Å; F14-I80 HydrophobicContact CE2-CD1 3.98Å; F14-I80 HydrophobicContact CE2-CG1 3.44Å; F14-I80 VanDerWaalsContact CE2-CG1 3.44Å; F14-I80 HydrophobicContact CG-CD1 3.75Å; F14-I80 HydrophobicContact CG-CG1 4.19Å; F14-I80 HydrophobicContact CZ-CD1 4.03Å; F14-I80 HydrophobicContact CZ-CG1 3.51Å |
| 15 | L | 86.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | -177 | -68.3 | 169.7 | 0 | 0 | 0 | 111.5 | L11 Y12 K19 R20 I21 P23 A45 F48 L74 | L11-L15 HydrophobicContact CD1-CD1 3.7Å; L11-L15 HydrophobicContact CD1-CG 4.04Å; L11-L15 HydrophobicContact CG-CD1 3.99Å; L11-L15 WeakPolarHBondContact O-CG 3.25Å; L11-L15 PolarHBondContact O-N 2.73Å; Y12-L15 PolarHBondContact O-N 2.92Å; L15-K19 CarbonylContact O-C 3.57Å; L15-K19 WeakPolarHBondContact O-CA 3.5Å; L15-K19 PolarHBondContact O-N 2.81Å; L15-R20 PolarHBondContact O-N 3.45Å; L15-I21 CarbonylContact C-O 3.41Å; L15-I21 WeakPolarHBondContact CB-O 3.2Å; L15-I21 PolarHBondContact O-N 2.96Å; L15-P23 HydrophobicContact CD1-CB 3.78Å; L15-P23 HydrophobicContact CD1-CG 4.01Å; L15-A45 HydrophobicContact CD1-CB 3.83Å; L15-A45 HydrophobicContact CD2-CB 4.37Å; L15-F48 HydrophobicContact CD2-CD2 4.42Å; L15-F48 HydrophobicContact CD2-CE2 3.66Å; L15-F48 HydrophobicContact CD2-CZ 4.33Å; L15-L74 HydrophobicContact CD2-CD1 4.42Å |
| 16 | Q | 85.7 | Confident | 84.1 | Confident | 84 Ų | 84 | 66 Ų | 66 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 179.2 | -165.8 | 70.1 | 2.6 | 0 | 0 | 111.9 | Y12 F14 R20 I21 | Y12-Q16 HydrophobicContact CE1-CB 4.33Å; Y12-Q16 HydrophobicContact CE1-CG 4.35Å; Y12-Q16 WeakPolarHBondContact O-CB 3.15Å; Y12-Q16 PolarHBondContact O-N 3.32Å; F14-Q16 VanDerWaalsContact C-N 3.35Å; F14-Q16 PolarHBondContact O-N 2.7Å; Q16-R20 VanDerWaalsContact O-CA 3.31Å; Q16-R20 WeakPolarHBondContact O-CA 3.39Å; Q16-R20 PolarHBondContact O-N 3.27Å; Q16-I21 PolarHBondContact N-O 3.38Å; Q16-I21 VanDerWaalsContact N-O 3.16Å; Q16-I21 PolarHBondContact OE1-O 2.93Å |
| 17 | T | 81.2 | Confident | 84.2 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -78.6 | -39.7 | -177.8 | -56 | 0 | 0 | 0 | 0 | 113 | T13 F14 | T13-T17 WeakPolarHBondContact O-CB 3.47Å; T13-T17 PolarHBondContact O-N 3.39Å; T13-T17 PolarHBondContact O-OG1 3.03Å; F14-T17 PolarHBondContact O-N 2.82Å |
| 18 | K | 78.8 | Confident | 83.6 | Confident | 153 Ų | 153 | 71 Ų | 71 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -87 | -37.2 | -176 | -78.3 | -90.3 | -173.7 | 164.6 | 0 | 114 | F14 | F14-K18 HydrophobicContact CD2-CG 4.03Å; F14-K18 HydrophobicContact CE2-CB 4.31Å; F14-K18 HydrophobicContact CE2-CD 4.35Å; F14-K18 HydrophobicContact CE2-CG 3.7Å; F14-K18 HydrophobicContact CZ-CB 4.26Å; F14-K18 HydrophobicContact CZ-CG 4.11Å; F14-K18 VanDerWaalsContact O-CB 3.29Å; F14-K18 WeakPolarHBondContact O-CB 3.19Å; F14-K18 PolarHBondContact O-N 3.17Å |
| 19 | K | 75.9 | Confident | 82.7 | Confident | 80 Ų | 80 | 74.6 Ų | 74.6 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -5.7 | -172.6 | -57 | -151.7 | 179.9 | -175.1 | 0 | 114.6 | L15 I21 F48 E79 | L15-K19 CarbonylContact O-C 3.57Å; L15-K19 WeakPolarHBondContact O-CA 3.5Å; L15-K19 PolarHBondContact O-N 2.81Å; K19-I21 VanDerWaalsContact C-N 3.34Å; K19-I21 HydrophobicContact CB-CD1 3.92Å; K19-I21 HydrophobicContact CB-CG1 3.87Å; K19-I21 WeakPolarHBondContact O-CG1 2.96Å; K19-F48 HydrophobicContact CD-CE2 4.02Å; K19-F48 HydrophobicContact CD-CZ 3.82Å; K19-E79 WeakPolarHBondContact CE-OE2 3.18Å; K19-E79 IonicContact NZ-OE1 3.68Å; K19-E79 PolarHBondContact NZ-OE1 2.98Å; K19-E79 IonicContact NZ-OE2 3.22Å; K19-E79 PolarHBondContact NZ-OE2 2.88Å |
| 20 | R | 81.8 | Confident | 81.6 | Confident | 228 Ų | 228 | 75.2 Ų | 75.2 | 86% | 0.86 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 60.2 | 38.4 | -176.5 | -58.3 | -177.3 | 175 | -173.1 | -1.5 | 113.6 | L15 Q16 | L15-R20 PolarHBondContact O-N 3.45Å; Q16-R20 VanDerWaalsContact O-CA 3.31Å; Q16-R20 WeakPolarHBondContact O-CA 3.39Å; Q16-R20 PolarHBondContact O-N 3.27Å |
| 21 | I | 85.4 | Confident | 79.7 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | trans | -125.2 | 144.5 | -179.5 | -34.8 | -179.3 | 0 | 0 | 0 | 108.7 | L15 Q16 K19 D46 | L15-I21 CarbonylContact C-O 3.41Å; L15-I21 WeakPolarHBondContact CB-O 3.2Å; L15-I21 PolarHBondContact O-N 2.96Å; Q16-I21 PolarHBondContact N-O 3.38Å; Q16-I21 VanDerWaalsContact N-O 3.16Å; Q16-I21 PolarHBondContact OE1-O 2.93Å; K19-I21 VanDerWaalsContact C-N 3.34Å; K19-I21 HydrophobicContact CB-CD1 3.92Å; K19-I21 HydrophobicContact CB-CG1 3.87Å; K19-I21 WeakPolarHBondContact O-CG1 2.96Å; I21-D46 HydrophobicContact CD1-CB 4.34Å; I21-D46 WeakPolarHBondContact CD1-O 3.07Å; I21-D46 HydrophobicContact CG2-CB 4.03Å | ||
| 22 | A | 83.4 | Confident | 78 | Confident | 48 Ų | 48 | 79 Ų | 79 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 143 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y12 E24 | Y12-A22 HydrophobicContact CE2-CB 3.9Å; A22-E24 PolarHBondContact O-N 3.31Å |
| 23 | P | 85.1 | Confident | 75.8 | Confident | 12 Ų | 12 | 75.6 Ų | 75.6 | 8% | 0.078 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 121.4 | 167.9 | 28.4 | -31.8 | 0 | 0 | 0 | 110.8 | L11 Y12 L15 Y25 R44 | L11-P23 HydrophobicContact CD2-CB 4.35Å; L11-P23 HydrophobicContact CG-CB 4.47Å; L11-P23 HydrophobicContact CG-CG 4.38Å; Y12-P23 HydrophobicContact CD2-CG 4.07Å; L15-P23 HydrophobicContact CD1-CB 3.78Å; L15-P23 HydrophobicContact CD1-CG 4.01Å; P23-Y25 HydrophobicContact CB-CE2 3.99Å; P23-Y25 HydrophobicContact CG-CE2 3.99Å; P23-Y25 WeakPolarHBondContact O-CD2 3.46Å; P23-R44 CarbonylContact C-O 3.59Å; P23-R44 VanDerWaalsContact CA-O 3.3Å; P23-R44 WeakPolarHBondContact CA-O 3.46Å |
| 24 | E | 88.5 | Confident | 73.5 | Confident | 127 Ų | 127 | 80.2 Ų | 80.2 | 59% | 0.593 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 140 | 170.4 | -174 | 178.4 | -132.3 | 0 | 0 | 110.1 | A22 A43 R44 | A22-E24 PolarHBondContact O-N 3.31Å; E24-A43 CarbonylContact O-C 3.57Å; E24-A43 WeakPolarHBondContact O-CA 3.43Å; E24-R44 PolarHBondContact N-O 3.34Å; E24-R44 PolarHBondContact O-N 3.11Å |
| 25 | Y | 86.7 | Confident | 71.5 | Confident | 46 Ų | 46 | 87.2 Ų | 87.2 | 18% | 0.18 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 115.3 | 178.7 | -65.2 | -90.9 | 0 | 0 | 0 | 110.7 | P23 E42 A43 Q63 A67 | P23-Y25 HydrophobicContact CB-CE2 3.99Å; P23-Y25 HydrophobicContact CG-CE2 3.99Å; P23-Y25 WeakPolarHBondContact O-CD2 3.46Å; Y25-E42 WeakPolarHBondContact CA-O 3.5Å; Y25-A43 HydrophobicContact CD1-CB 3.77Å; Y25-A43 HydrophobicContact CE1-CB 3.65Å; Y25-Q63 HydrophobicContact CD1-CG 3.4Å; Y25-Q63 HydrophobicContact CD2-CG 4.43Å; Y25-Q63 HydrophobicContact CE1-CG 3.67Å; Y25-Q63 HydrophobicContact CG-CG 3.8Å; Y25-A67 HydrophobicContact CE1-CB 4.24Å; Y25-A67 WeakPolarHBondContact OH-CB 3.4Å |
| 26 | T | 83.6 | Confident | 70 | Confident | 58 Ų | 58 | 93.5 Ų | 93.5 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 153.4 | 171.1 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | C41 E42 | T26-C41 CarbonylContact O-C 3.58Å; T26-C41 VanDerWaalsContact O-CA 3.29Å; T26-C41 WeakPolarHBondContact O-CA 3.32Å; T26-C41 PolarHBondContact O-SG 3.47Å; T26-E42 PolarHBondContact N-O 3.2Å; T26-E42 PolarHBondContact O-N 3.34Å |
| 27 | F | 77.1 | Confident | 68.9 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 34% | 0.342 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.7 | -176.3 | -67.6 | -91 | 0 | 0 | 0 | 111.1 | L40 C41 K59 Q63 | F27-L40 CarbonylContact C-O 3.6Å; F27-L40 WeakPolarHBondContact CA-O 3.22Å; F27-C41 HydrophobicContact CD1-CB 3.81Å; F27-C41 HydrophobicContact CE1-CB 3.78Å; F27-K59 HydrophobicContact CD1-CB 4.48Å; F27-K59 HydrophobicContact CD1-CG 4.39Å; F27-K59 HydrophobicContact CE1-CB 4.08Å; F27-K59 HydrophobicContact CE1-CG 4.48Å; F27-K59 WeakPolarHBondContact CE1-O 3.24Å; F27-Q63 HydrophobicContact CE1-CB 4.05Å; F27-Q63 HydrophobicContact CZ-CB 3.84Å; F27-Q63 HydrophobicContact CZ-CG 3.93Å |
| 28 | I | 70.7 | Confident | 68.6 | Low | 60 Ų | 60 | 89.3 Ų | 89.3 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.4 | 172.6 | -59.7 | 171.7 | 0 | 0 | 0 | 107.1 | K30 L40 | I28-K30 HydrophobicContact CG2-CG 4.37Å; I28-L40 HydrophobicContact CB-CB 4.33Å; I28-L40 PolarHBondContact N-O 3.32Å; I28-L40 PolarHBondContact O-N 2.85Å |
| 29 | E | 67.3 | Low | 68.6 | Low | 110 Ų | 110 | 83.4 Ų | 83.4 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.9 | 168.3 | -82.9 | 170.3 | 92.8 | 0 | 0 | 109.7 | V37 F39 K59 | E29-V37 HydrophobicContact CB-CG1 4.29Å; E29-V37 HydrophobicContact CG-CG1 4.04Å; E29-F39 VanDerWaalsContact CD-CE1 3.43Å; E29-F39 HydrophobicContact CG-CD1 3.4Å; E29-F39 VanDerWaalsContact CG-CD1 3.4Å; E29-F39 HydrophobicContact CG-CE1 3.35Å; E29-F39 WeakPolarHBondContact OE1-CE1 3.42Å; E29-K59 IonicContact OE2-NZ 3.14Å; E29-K59 PolarHBondContact OE2-NZ 3.29Å |
| 30 | K | 59.6 | Low | 68.8 | Low | 79 Ų | 79 | 80.5 Ų | 80.5 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 113.7 | 172 | -69.1 | -168.8 | 173.9 | -172.5 | 0 | 108.1 | I28 R38 | I28-K30 HydrophobicContact CG2-CG 4.37Å; K30-R38 PolarHBondContact N-O 3.1Å; K30-R38 PolarHBondContact O-N 3.38Å |
| 31 | P | 48.7 | Very low | 69 | Low | 48 Ų | 48 | 69.6 Ų | 69.6 | 31% | 0.312 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 143.8 | 168.5 | 28.1 | -32.6 | 0 | 0 | 0 | 109.4 | N950 | P31-N950 PolarHBondContact O-OD1 3.12Å |
| 32 | V | 50.8 | Low | 69 | Low | 79 Ų | 79 | 68.7 Ų | 68.7 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | trans | -130.2 | 57.1 | -177.6 | -166.1 | 0 | 0 | 0 | 0 | 109 | K36 R38 | V32-K36 PolarHBondContact N-O 3.21Å; V32-R38 HydrophobicContact CG2-CB 3.82Å; V32-R38 HydrophobicContact CG2-CG 4.18Å | ||
| 33 | G | 43.1 | Very low | 69.2 | Low | 41 Ų | 41 | 66.4 Ų | 66.4 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 72.9 | -177.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N35 K36 | G33-N35 PolarHBondContact O-N 2.94Å; G33-N35 VanDerWaalsContact O-N 3.13Å; G33-K36 PolarHBondContact O-N 3.05Å |
| 34 | R | 36.2 | Very low | 69.2 | Low | 179 Ų | 179 | 68.6 Ų | 68.6 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 115.9 | -168.6 | -68 | -177.6 | 175.2 | -172.6 | -4.9 | 112.9 | K36 E955 | R34-K36 PolarHBondContact O-N 2.91Å; R34-E955 VanDerWaalsContact CG-OE1 3.28Å; R34-E955 WeakPolarHBondContact CG-OE1 3.38Å; R34-E955 IonicContact CZ-OE2 3.51Å; R34-E955 VanDerWaalsContact CZ-OE2 3.24Å; R34-E955 IonicContact NE-OE1 2.8Å; R34-E955 PolarHBondContact NE-OE1 2.9Å; R34-E955 IonicContact NE-OE2 3.99Å; R34-E955 PolarHBondContact NE-OE2 2.91Å; R34-E955 IonicContact NH2-OE2 3.62Å; R34-E955 PolarHBondContact NH2-OE2 3Å |
| 35 | N | 45.9 | Very low | 69.1 | Low | 173 Ų | 173 | 63.1 Ų | 63.1 | 93% | 0.925 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 21.5 | 175.2 | -60.2 | 0.3 | 0 | 0 | 0 | 116.8 | G33 | G33-N35 PolarHBondContact O-N 2.94Å; G33-N35 VanDerWaalsContact O-N 3.13Å |
| 36 | K | 54.1 | Low | 68.7 | Low | 132 Ų | 132 | 67.1 Ų | 67.1 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | trans | -115.3 | 116.7 | 166.4 | -74.7 | -164.7 | 174.3 | -168.2 | 0 | 110.9 | V32 G33 R34 | V32-K36 PolarHBondContact N-O 3.21Å; G33-K36 PolarHBondContact O-N 3.05Å; R34-K36 PolarHBondContact O-N 2.91Å | ||
| 37 | V | 63.9 | Low | 68.5 | Low | 63 Ų | 63 | 68.2 Ų | 68.2 | 38% | 0.382 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138.1 | 172.6 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | E29 F39 | E29-V37 HydrophobicContact CB-CG1 4.29Å; E29-V37 HydrophobicContact CG-CG1 4.04Å; V37-F39 HydrophobicContact CG1-CE1 4.05Å; V37-F39 HydrophobicContact CG1-CE2 4.37Å; V37-F39 HydrophobicContact CG1-CZ 3.97Å |
| 38 | R | 73.8 | Confident | 68.6 | Low | 44 Ų | 44 | 65.6 Ų | 65.6 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.2 | 164 | -95.3 | -178 | 160.7 | -179.5 | -7.9 | 109.7 | K30 V32 N55 S56 T57 C322 N323 D325 | K30-R38 PolarHBondContact N-O 3.1Å; K30-R38 PolarHBondContact O-N 3.38Å; V32-R38 HydrophobicContact CG2-CB 3.82Å; V32-R38 HydrophobicContact CG2-CG 4.18Å; R38-N55 WeakPolarHBondContact CB-OD1 3.27Å; R38-N55 WeakPolarHBondContact CD-OD1 3.39Å; R38-S56 CarbonylContact C-O 3.11Å; R38-S56 WeakPolarHBondContact CA-O 3.36Å; R38-T57 HydrophobicContact CG-CG2 4.31Å; R38-C322 PolarHBondContact NH1-SG 3.37Å; R38-N323 PolarHBondContact NH1-O 3.02Å; R38-N323 PolarHBondContact NH2-O 2.99Å; R38-D325 IonicContact CZ-OD2 2.8Å; R38-D325 IonicContact NE-OD2 3.8Å; R38-D325 IonicContact NH2-OD2 2.75Å; R38-D325 PolarHBondContact NH2-OD2 3.2Å |
| 39 | F | 78.9 | Confident | 68.8 | Low | 29 Ų | 29 | 70.6 Ų | 70.6 | 13% | 0.127 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.5 | 178.1 | -57.3 | -80.7 | 0 | 0 | 0 | 108.5 | E29 V37 N55 S56 T57 K59 A62 | E29-F39 VanDerWaalsContact CD-CE1 3.43Å; E29-F39 HydrophobicContact CG-CD1 3.4Å; E29-F39 VanDerWaalsContact CG-CD1 3.4Å; E29-F39 HydrophobicContact CG-CE1 3.35Å; E29-F39 WeakPolarHBondContact OE1-CE1 3.42Å; V37-F39 HydrophobicContact CG1-CE1 4.05Å; V37-F39 HydrophobicContact CG1-CE2 4.37Å; V37-F39 HydrophobicContact CG1-CZ 3.97Å; F39-N55 WeakPolarHBondContact O-CA 3.44Å; F39-N55 PolarHBondContact O-OD1 3Å; F39-S56 PolarHBondContact N-O 3.13Å; F39-S56 PolarHBondContact O-N 2.98Å; F39-T57 WeakPolarHBondContact CD2-O 3.44Å; F39-T57 VanDerWaalsContact CE2-O 3.23Å; F39-T57 WeakPolarHBondContact CE2-O 3.32Å; F39-K59 HydrophobicContact CB-CG 4.21Å; F39-K59 HydrophobicContact CD1-CD 3.96Å; F39-K59 HydrophobicContact CD1-CG 3.27Å; F39-K59 HydrophobicContact CD2-CG 4.06Å; F39-K59 VanDerWaalsContact CD2-N 3.34Å; F39-K59 HydrophobicContact CE1-CD 3.94Å; F39-K59 HydrophobicContact CE1-CG 3.53Å; F39-K59 HydrophobicContact CE2-CG 4.27Å; F39-K59 HydrophobicContact CG-CB 4.41Å; F39-K59 HydrophobicContact CG-CG 3.55Å; F39-K59 HydrophobicContact CZ-CG 4.02Å; F39-A62 HydrophobicContact CB-CB 3.88Å; F39-A62 WeakPolarHBondContact O-CB 3.43Å |
| 40 | L | 80.4 | Confident | 69.5 | Low | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.8 | 164.7 | -171.1 | 71.2 | 0 | 0 | 0 | 107.9 | F27 I28 I53 N55 | F27-L40 CarbonylContact C-O 3.6Å; F27-L40 WeakPolarHBondContact CA-O 3.22Å; I28-L40 HydrophobicContact CB-CB 4.33Å; I28-L40 PolarHBondContact N-O 3.32Å; I28-L40 PolarHBondContact O-N 2.85Å; L40-I53 HydrophobicContact CD1-CG2 3.49Å; L40-I53 VanDerWaalsContact CD1-CG2 3.49Å; L40-I53 HydrophobicContact CG-CG2 4.35Å; L40-N55 HydrophobicContact CD1-CB 4.38Å |
| 41 | C | 85.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131 | 172.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | T26 F27 I53 G54 A62 A66 | T26-C41 CarbonylContact O-C 3.58Å; T26-C41 VanDerWaalsContact O-CA 3.29Å; T26-C41 WeakPolarHBondContact O-CA 3.32Å; T26-C41 PolarHBondContact O-SG 3.47Å; F27-C41 HydrophobicContact CD1-CB 3.81Å; F27-C41 HydrophobicContact CE1-CB 3.78Å; C41-I53 WeakPolarHBondContact O-CA 3.41Å; C41-G54 PolarHBondContact N-O 2.94Å; C41-G54 PolarHBondContact O-N 2.85Å; C41-G54 VanDerWaalsContact O-N 3.07Å; C41-A62 HydrophobicContact CB-CB 4.03Å; C41-A66 HydrophobicContact CB-CB 4.09Å |
| 42 | E | 86.5 | Confident | 72.2 | Confident | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.5 | 167.3 | -66.3 | -174.5 | -167.5 | 0 | 0 | 109 | Y25 T26 R44 V51 G52 I53 R789 | Y25-E42 WeakPolarHBondContact CA-O 3.5Å; T26-E42 PolarHBondContact N-O 3.2Å; T26-E42 PolarHBondContact O-N 3.34Å; E42-R44 IonicContact OE2-CZ 2.74Å; E42-R44 IonicContact OE2-NE 3.76Å; E42-R44 PolarHBondContact OE2-NE 3.26Å; E42-R44 IonicContact OE2-NH2 2.72Å; E42-R44 PolarHBondContact OE2-NH2 3.44Å; E42-V51 HydrophobicContact CB-CG1 3.67Å; E42-V51 HydrophobicContact CG-CG1 3.9Å; E42-G52 CarbonylContact C-O 3.5Å; E42-G52 WeakPolarHBondContact CA-O 3.24Å; E42-I53 HydrophobicContact CG-CD1 4Å; E42-I53 HydrophobicContact CG-CG1 4.07Å; E42-R789 IonicContact OE1-NH1 3.36Å; E42-R789 PolarHBondContact OE1-NH1 2.62Å; E42-R789 VanDerWaalsContact OE1-NH1 3.16Å; E42-R789 IonicContact OE2-NH1 3.13Å |
| 43 | A | 86.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E24 Y25 V51 G52 A66 F70 | E24-A43 CarbonylContact O-C 3.57Å; E24-A43 WeakPolarHBondContact O-CA 3.43Å; Y25-A43 HydrophobicContact CD1-CB 3.77Å; Y25-A43 HydrophobicContact CE1-CB 3.65Å; A43-V51 CarbonylContact O-C 3.55Å; A43-V51 WeakPolarHBondContact O-CA 3.22Å; A43-G52 PolarHBondContact N-O 2.72Å; A43-G52 PolarHBondContact O-N 3.46Å; A43-A66 HydrophobicContact CB-CB 3.92Å; A43-F70 HydrophobicContact CB-CD2 4.37Å; A43-F70 WeakPolarHBondContact O-CD2 3.44Å |
| 44 | R | 86.8 | Confident | 75.4 | Confident | 58 Ų | 58 | 56 Ų | 56 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.9 | -175.2 | -67 | 176 | 171.8 | -93.8 | -3.6 | 110.2 | P23 E24 E42 V51 | P23-R44 CarbonylContact C-O 3.59Å; P23-R44 VanDerWaalsContact CA-O 3.3Å; P23-R44 WeakPolarHBondContact CA-O 3.46Å; E24-R44 PolarHBondContact N-O 3.34Å; E24-R44 PolarHBondContact O-N 3.11Å; E42-R44 IonicContact OE2-CZ 2.74Å; E42-R44 IonicContact OE2-NE 3.76Å; E42-R44 PolarHBondContact OE2-NE 3.26Å; E42-R44 IonicContact OE2-NH2 2.72Å; E42-R44 PolarHBondContact OE2-NH2 3.44Å; R44-V51 HydrophobicContact CG-CG1 4.06Å; R44-V51 HydrophobicContact CG-CG2 4.3Å |
| 45 | A | 85.9 | Confident | 77.5 | Confident | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | trans | -149.9 | 137.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L15 F48 F70 | L15-A45 HydrophobicContact CD1-CB 3.83Å; L15-A45 HydrophobicContact CD2-CB 4.37Å; A45-F48 HydrophobicContact CB-CD2 4.25Å; A45-F48 PolarHBondContact O-N 3.38Å; A45-F70 HydrophobicContact CB-CE1 4.5Å; A45-F70 HydrophobicContact CB-CE2 4.41Å; A45-F70 HydrophobicContact CB-CZ 3.87Å | ||
| 46 | D | 78.5 | Confident | 79.1 | Confident | 130 Ų | 130 | 40 Ų | 40 | 70% | 0.695 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 149.7 | -177.9 | -79.4 | -39.5 | 0 | 0 | 0 | 112.9 | I21 F48 | I21-D46 HydrophobicContact CD1-CB 4.34Å; I21-D46 WeakPolarHBondContact CD1-O 3.07Å; I21-D46 HydrophobicContact CG2-CB 4.03Å; D46-F48 PolarHBondContact O-N 3.34Å |
| 47 | G | 79.4 | Confident | 80.2 | Confident | 82 Ų | 82 | 37.6 Ų | 37.6 | 85% | 0.845 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | -2.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 48 | F | 79.4 | Confident | 81 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | trans | -114.7 | 123 | 175 | -65.3 | -79.9 | 0 | 0 | 0 | 111.8 | L15 K19 A45 D46 Y50 F70 Y73 L74 E79 | L15-F48 HydrophobicContact CD2-CD2 4.42Å; L15-F48 HydrophobicContact CD2-CE2 3.66Å; L15-F48 HydrophobicContact CD2-CZ 4.33Å; K19-F48 HydrophobicContact CD-CE2 4.02Å; K19-F48 HydrophobicContact CD-CZ 3.82Å; A45-F48 HydrophobicContact CB-CD2 4.25Å; A45-F48 PolarHBondContact O-N 3.38Å; D46-F48 PolarHBondContact O-N 3.34Å; F48-Y50 PolarHBondContact O-N 3.03Å; F48-F70 HydrophobicContact CB-CZ 3.96Å; F48-F70 HydrophobicContact CD2-CE1 4.41Å; F48-F70 HydrophobicContact CD2-CZ 4.2Å; F48-F70 HydrophobicContact CG-CE1 4.47Å; F48-F70 HydrophobicContact CG-CZ 4.17Å; F48-Y73 HydrophobicContact CB-CE1 4.25Å; F48-Y73 AromaticContact CD1-CE1 3.74Å; F48-Y73 HydrophobicContact CD1-CE1 3.74Å; F48-Y73 HydrophobicContact CE1-CE1 4.48Å; F48-Y73 HydrophobicContact CG-CE1 4.29Å; F48-L74 HydrophobicContact CD1-CD2 4.05Å; F48-L74 HydrophobicContact CE1-CD2 3.42Å; F48-L74 VanDerWaalsContact CE1-CD2 3.42Å; F48-L74 HydrophobicContact CE2-CD2 4.39Å; F48-L74 HydrophobicContact CZ-CD2 3.6Å; F48-E79 HydrophobicContact CE1-CG 4.4Å | ||
| 49 | N | 74.9 | Confident | 81.5 | Confident | 165 Ų | 165 | 39.7 Ų | 39.7 | 88% | 0.882 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -79.1 | 35.3 | 174.9 | -68.2 | -13.8 | 0 | 0 | 0 | 112.6 | ||
| 50 | Y | 80.8 | Confident | 81.6 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | trans | -129 | 145.3 | 179.1 | -166 | -105.2 | 0 | 0 | 0 | 110.7 | F48 D69 F70 Y73 W309 | F48-Y50 PolarHBondContact O-N 3.03Å; Y50-D69 VanDerWaalsContact OH-CG 3.28Å; Y50-D69 PolarHBondContact OH-OD1 3.42Å; Y50-D69 PolarHBondContact OH-OD2 3.15Å; Y50-F70 HydrophobicContact CD1-CD2 4.35Å; Y50-F70 WeakPolarHBondContact O-CE2 3.47Å; Y50-Y73 VanDerWaalsContact CB-CE1 3.45Å; Y50-Y73 VanDerWaalsContact CD1-CB 3.49Å; Y50-Y73 AromaticContact CD1-CD1 3.6Å; Y50-Y73 HydrophobicContact CD1-CD1 3.6Å; Y50-Y73 HydrophobicContact CD1-CD2 4.19Å; Y50-Y73 HydrophobicContact CD1-CE1 4.39Å; Y50-Y73 AromaticContact CD1-CG 3.48Å; Y50-Y73 HydrophobicContact CD1-CG 3.48Å; Y50-Y73 VanDerWaalsContact CD1-CG 3.48Å; Y50-Y73 AromaticContact CD2-CD2 3.9Å; Y50-Y73 HydrophobicContact CD2-CD2 3.9Å; Y50-Y73 HydrophobicContact CD2-CE2 4.3Å; Y50-Y73 HydrophobicContact CD2-CG 4.05Å; Y50-Y73 VanDerWaalsContact CE1-CB 3.46Å; Y50-Y73 HydrophobicContact CE1-CD1 4.46Å; Y50-Y73 AromaticContact CE1-CG 3.98Å; Y50-Y73 HydrophobicContact CE1-CG 3.98Å; Y50-Y73 HydrophobicContact CE2-CD2 4.41Å; Y50-Y73 HydrophobicContact CE2-CG 4.49Å; Y50-Y73 AromaticContact CG-CD1 3.68Å; Y50-Y73 HydrophobicContact CG-CD1 3.68Å; Y50-Y73 AromaticContact CG-CD2 3.77Å; Y50-Y73 HydrophobicContact CG-CD2 3.77Å; Y50-Y73 HydrophobicContact CG-CE1 4.07Å; Y50-Y73 HydrophobicContact CG-CE2 4.13Å; Y50-Y73 AromaticContact CG-CG 3.51Å; Y50-Y73 HydrophobicContact CG-CG 3.51Å; Y50-W309 WeakPolarHBondContact CE2-O 3.39Å | ||
| 51 | V | 83 | Confident | 81.7 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | trans | -119.7 | 116.7 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 106.1 | E42 A43 R44 I53 R480 | E42-V51 HydrophobicContact CB-CG1 3.67Å; E42-V51 HydrophobicContact CG-CG1 3.9Å; A43-V51 CarbonylContact O-C 3.55Å; A43-V51 WeakPolarHBondContact O-CA 3.22Å; R44-V51 HydrophobicContact CG-CG1 4.06Å; R44-V51 HydrophobicContact CG-CG2 4.3Å; V51-I53 HydrophobicContact CG1-CG1 4.13Å; V51-R480 PolarHBondContact O-NH2 3.1Å | ||
| 52 | G | 83.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | E42 A43 D69 | E42-G52 CarbonylContact C-O 3.5Å; E42-G52 WeakPolarHBondContact CA-O 3.24Å; A43-G52 PolarHBondContact N-O 2.72Å; A43-G52 PolarHBondContact O-N 3.46Å; G52-D69 WeakPolarHBondContact CA-OD2 3.47Å |
| 53 | I | 81.2 | Confident | 81.7 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.087 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137 | 177 | -73 | -171.8 | 0 | 0 | 0 | 111.3 | L40 C41 E42 V51 D69 | L40-I53 HydrophobicContact CD1-CG2 3.49Å; L40-I53 VanDerWaalsContact CD1-CG2 3.49Å; L40-I53 HydrophobicContact CG-CG2 4.35Å; C41-I53 WeakPolarHBondContact O-CA 3.41Å; E42-I53 HydrophobicContact CG-CD1 4Å; E42-I53 HydrophobicContact CG-CG1 4.07Å; V51-I53 HydrophobicContact CG1-CG1 4.13Å; I53-D69 PolarHBondContact N-OD2 3.38Å |
| 54 | G | 78.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C41 A62 N65 | C41-G54 PolarHBondContact N-O 2.94Å; C41-G54 PolarHBondContact O-N 2.85Å; C41-G54 VanDerWaalsContact O-N 3.07Å; G54-A62 WeakPolarHBondContact CA-O 3.29Å; G54-N65 VanDerWaalsContact CA-CB 3.49Å |
| 55 | N | 80.6 | Confident | 81.5 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149 | 170.6 | -159.6 | -35.8 | 0 | 0 | 0 | 108.5 | R38 F39 L40 N65 C322 N323 | R38-N55 WeakPolarHBondContact CB-OD1 3.27Å; R38-N55 WeakPolarHBondContact CD-OD1 3.39Å; F39-N55 WeakPolarHBondContact O-CA 3.44Å; F39-N55 PolarHBondContact O-OD1 3Å; L40-N55 HydrophobicContact CD1-CB 4.38Å; N55-N65 PolarHBondContact O-ND2 2.96Å; N55-C322 HydrophobicContact CB-CB 4.45Å; N55-N323 WeakPolarHBondContact CA-OD1 3.21Å; N55-N323 WeakPolarHBondContact CB-OD1 3.33Å; N55-N323 PolarHBondContact N-OD1 3.24Å; N55-N323 PolarHBondContact O-OD1 3.35Å |
| 56 | S | 80.5 | Confident | 81.5 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 169.8 | 161.3 | -169 | 0 | 0 | 0 | 0 | 109.9 | R38 F39 T58 E61 | R38-S56 CarbonylContact C-O 3.11Å; R38-S56 WeakPolarHBondContact CA-O 3.36Å; F39-S56 PolarHBondContact N-O 3.13Å; F39-S56 PolarHBondContact O-N 2.98Å; S56-T58 PolarHBondContact O-N 2.99Å; S56-E61 VanDerWaalsContact CB-CB 3.45Å; S56-E61 WeakPolarHBondContact OG-CB 3.32Å; S56-E61 PolarHBondContact OG-OE2 3.31Å |
| 57 | T | 77.3 | Confident | 82 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -66.9 | -7.6 | 164.4 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | R38 F39 | R38-T57 HydrophobicContact CG-CG2 4.31Å; F39-T57 WeakPolarHBondContact CD2-O 3.44Å; F39-T57 VanDerWaalsContact CE2-O 3.23Å; F39-T57 WeakPolarHBondContact CE2-O 3.32Å |
| 58 | T | 80.7 | Confident | 82.3 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 34% | 0.337 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -129.2 | 145.2 | 174.8 | 79.4 | 0 | 0 | 0 | 0 | 113.6 | S56 K60 E61 A62 | S56-T58 PolarHBondContact O-N 2.99Å; T58-K60 VanDerWaalsContact C-N 3.28Å; T58-K60 PolarHBondContact O-N 2.97Å; T58-E61 WeakPolarHBondContact CB-OE2 3.21Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.31Å; T58-E61 PolarHBondContact O-N 3.28Å; T58-E61 WeakPolarHBondContact OG1-CB 3.34Å; T58-E61 VanDerWaalsContact OG1-CD 3.24Å; T58-E61 VanDerWaalsContact OG1-CG 3.31Å; T58-E61 WeakPolarHBondContact OG1-CG 3.42Å; T58-E61 PolarHBondContact OG1-N 2.94Å; T58-E61 PolarHBondContact OG1-OE2 2.89Å; T58-A62 WeakPolarHBondContact O-CB 3.2Å; T58-A62 PolarHBondContact O-N 3.29Å |
| 59 | K | 82.6 | Confident | 82.6 | Confident | 96 Ų | 96 | 38.7 Ų | 38.7 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.8 | -38.7 | 175.7 | -69.7 | -171.5 | -176.1 | -173.7 | 0 | 112 | F27 E29 F39 Q63 | F27-K59 HydrophobicContact CD1-CB 4.48Å; F27-K59 HydrophobicContact CD1-CG 4.39Å; F27-K59 HydrophobicContact CE1-CB 4.08Å; F27-K59 HydrophobicContact CE1-CG 4.48Å; F27-K59 WeakPolarHBondContact CE1-O 3.24Å; E29-K59 IonicContact OE2-NZ 3.14Å; E29-K59 PolarHBondContact OE2-NZ 3.29Å; F39-K59 HydrophobicContact CB-CG 4.21Å; F39-K59 HydrophobicContact CD1-CD 3.96Å; F39-K59 HydrophobicContact CD1-CG 3.27Å; F39-K59 HydrophobicContact CD2-CG 4.06Å; F39-K59 VanDerWaalsContact CD2-N 3.34Å; F39-K59 HydrophobicContact CE1-CD 3.94Å; F39-K59 HydrophobicContact CE1-CG 3.53Å; F39-K59 HydrophobicContact CE2-CG 4.27Å; F39-K59 HydrophobicContact CG-CB 4.41Å; F39-K59 HydrophobicContact CG-CG 3.55Å; F39-K59 HydrophobicContact CZ-CG 4.02Å; K59-Q63 WeakPolarHBondContact O-CB 3.45Å; K59-Q63 PolarHBondContact O-N 2.67Å |
| 60 | K | 82.4 | Confident | 83.3 | Confident | 107 Ų | 107 | 30.9 Ų | 30.9 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.1 | -43.1 | -176.9 | -170.9 | 173.6 | -175.7 | 171.2 | 0 | 112 | E5 T58 T64 | E5-K60 WeakPolarHBondContact OE1-CE 3.47Å; E5-K60 IonicContact OE1-NZ 2.62Å; E5-K60 PolarHBondContact OE1-NZ 3.31Å; T58-K60 VanDerWaalsContact C-N 3.28Å; T58-K60 PolarHBondContact O-N 2.97Å; K60-T64 WeakPolarHBondContact O-CB 3.48Å; K60-T64 PolarHBondContact O-N 3.29Å; K60-T64 VanDerWaalsContact O-N 3.16Å; K60-T64 PolarHBondContact O-OG1 2.87Å |
| 61 | E | 83 | Confident | 83.6 | Confident | 86 Ų | 86 | 30.1 Ų | 30.1 | 40% | 0.402 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -74 | -40.9 | 177.1 | -67.7 | 162.1 | 146.4 | 0 | 0 | 111.8 | S56 T58 Q63 T64 N65 | S56-E61 VanDerWaalsContact CB-CB 3.45Å; S56-E61 WeakPolarHBondContact OG-CB 3.32Å; S56-E61 PolarHBondContact OG-OE2 3.31Å; T58-E61 WeakPolarHBondContact CB-OE2 3.21Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.31Å; T58-E61 PolarHBondContact O-N 3.28Å; T58-E61 WeakPolarHBondContact OG1-CB 3.34Å; T58-E61 VanDerWaalsContact OG1-CD 3.24Å; T58-E61 VanDerWaalsContact OG1-CG 3.31Å; T58-E61 WeakPolarHBondContact OG1-CG 3.42Å; T58-E61 PolarHBondContact OG1-N 2.94Å; T58-E61 PolarHBondContact OG1-OE2 2.89Å; E61-Q63 VanDerWaalsContact C-N 3.29Å; E61-Q63 PolarHBondContact O-N 3.35Å; E61-T64 CarbonylContact O-C 3.56Å; E61-T64 WeakPolarHBondContact O-CA 3.46Å; E61-T64 WeakPolarHBondContact O-CB 3.49Å; E61-T64 PolarHBondContact O-N 2.9Å; E61-N65 WeakPolarHBondContact O-CB 3.33Å; E61-N65 VanDerWaalsContact O-CG 3.26Å; E61-N65 PolarHBondContact O-N 2.63Å |
| 62 | A | 83.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.9 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F39 C41 G54 T58 T64 N65 A66 | F39-A62 HydrophobicContact CB-CB 3.88Å; F39-A62 WeakPolarHBondContact O-CB 3.43Å; C41-A62 HydrophobicContact CB-CB 4.03Å; G54-A62 WeakPolarHBondContact CA-O 3.29Å; T58-A62 WeakPolarHBondContact O-CB 3.2Å; T58-A62 PolarHBondContact O-N 3.29Å; A62-T64 VanDerWaalsContact C-N 3.34Å; A62-T64 PolarHBondContact O-N 3.2Å; A62-N65 PolarHBondContact O-N 3.13Å; A62-A66 WeakPolarHBondContact O-CB 3.45Å; A62-A66 PolarHBondContact O-N 2.96Å |
| 63 | Q | 87.2 | Confident | 83.8 | Confident | 43 Ų | 43 | 33.9 Ų | 33.9 | 20% | 0.201 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 174.7 | -161.3 | -172.7 | 39.2 | 0 | 0 | 112.9 | K8 Y25 F27 K59 E61 A66 A67 | K8-Q63 HydrophobicContact CD-CB 4.29Å; K8-Q63 HydrophobicContact CD-CG 4Å; Y25-Q63 HydrophobicContact CD1-CG 3.4Å; Y25-Q63 HydrophobicContact CD2-CG 4.43Å; Y25-Q63 HydrophobicContact CE1-CG 3.67Å; Y25-Q63 HydrophobicContact CG-CG 3.8Å; F27-Q63 HydrophobicContact CE1-CB 4.05Å; F27-Q63 HydrophobicContact CZ-CB 3.84Å; F27-Q63 HydrophobicContact CZ-CG 3.93Å; K59-Q63 WeakPolarHBondContact O-CB 3.45Å; K59-Q63 PolarHBondContact O-N 2.67Å; E61-Q63 VanDerWaalsContact C-N 3.29Å; E61-Q63 PolarHBondContact O-N 3.35Å; Q63-A66 PolarHBondContact O-N 2.82Å; Q63-A67 WeakPolarHBondContact O-CB 3.36Å; Q63-A67 PolarHBondContact O-N 3.47Å |
| 64 | T | 85.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.2 | -36.5 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | P4 I7 K8 K60 E61 A62 R68 | P4-T64 HydrophobicContact CB-CG2 4.21Å; P4-T64 WeakPolarHBondContact O-CG2 3.41Å; I7-T64 HydrophobicContact CG2-CG2 3.75Å; K8-T64 WeakPolarHBondContact CE-OG1 3.19Å; K60-T64 WeakPolarHBondContact O-CB 3.48Å; K60-T64 PolarHBondContact O-N 3.29Å; K60-T64 VanDerWaalsContact O-N 3.16Å; K60-T64 PolarHBondContact O-OG1 2.87Å; E61-T64 CarbonylContact O-C 3.56Å; E61-T64 WeakPolarHBondContact O-CA 3.46Å; E61-T64 WeakPolarHBondContact O-CB 3.49Å; E61-T64 PolarHBondContact O-N 2.9Å; A62-T64 VanDerWaalsContact C-N 3.34Å; A62-T64 PolarHBondContact O-N 3.2Å; T64-R68 WeakPolarHBondContact O-CB 3.39Å; T64-R68 PolarHBondContact O-N 3.43Å |
| 65 | N | 83.8 | Confident | 84.4 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 173.7 | -69.4 | -11.6 | 0 | 0 | 0 | 110.5 | G54 N55 E61 A62 R68 D69 | G54-N65 VanDerWaalsContact CA-CB 3.49Å; N55-N65 PolarHBondContact O-ND2 2.96Å; E61-N65 WeakPolarHBondContact O-CB 3.33Å; E61-N65 VanDerWaalsContact O-CG 3.26Å; E61-N65 PolarHBondContact O-N 2.63Å; A62-N65 PolarHBondContact O-N 3.13Å; N65-R68 PolarHBondContact O-N 2.89Å; N65-R68 PolarHBondContact OD1-NH1 3.39Å; N65-D69 PolarHBondContact O-N 3.49Å |
| 66 | A | 86 | Confident | 84.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C41 A43 A62 Q63 R68 D69 F70 | C41-A66 HydrophobicContact CB-CB 4.09Å; A43-A66 HydrophobicContact CB-CB 3.92Å; A62-A66 WeakPolarHBondContact O-CB 3.45Å; A62-A66 PolarHBondContact O-N 2.96Å; Q63-A66 PolarHBondContact O-N 2.82Å; A66-R68 VanDerWaalsContact C-N 3.34Å; A66-D69 PolarHBondContact O-N 3.05Å; A66-F70 PolarHBondContact O-N 3.43Å; A66-F70 VanDerWaalsContact O-N 3.07Å |
| 67 | A | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | K8 L11 Y25 Q63 F70 V71 | K8-A67 HydrophobicContact CG-CB 3.83Å; L11-A67 HydrophobicContact CD2-CB 3.94Å; Y25-A67 HydrophobicContact CE1-CB 4.24Å; Y25-A67 WeakPolarHBondContact OH-CB 3.4Å; Q63-A67 WeakPolarHBondContact O-CB 3.36Å; Q63-A67 PolarHBondContact O-N 3.47Å; A67-F70 PolarHBondContact O-N 3.46Å; A67-V71 WeakPolarHBondContact O-CG2 3.38Å; A67-V71 PolarHBondContact O-N 2.85Å |
| 68 | R | 87.3 | Confident | 84.9 | Confident | 77 Ų | 77 | 41 Ų | 41 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.8 | -169.1 | 178.9 | -54.6 | 107.7 | 1.7 | 112.5 | I7 T64 N65 A66 F70 V71 N72 | I7-R68 HydrophobicContact CD1-CB 3.99Å; I7-R68 HydrophobicContact CD1-CG 3.77Å; T64-R68 WeakPolarHBondContact O-CB 3.39Å; T64-R68 PolarHBondContact O-N 3.43Å; N65-R68 PolarHBondContact O-N 2.89Å; N65-R68 PolarHBondContact OD1-NH1 3.39Å; A66-R68 VanDerWaalsContact C-N 3.34Å; R68-F70 VanDerWaalsContact C-N 3.34Å; R68-F70 PolarHBondContact O-N 3.42Å; R68-V71 PolarHBondContact O-N 3.37Å; R68-N72 WeakPolarHBondContact O-CB 3.45Å; R68-N72 PolarHBondContact O-N 3.48Å; R68-N72 PolarHBondContact O-ND2 3.29Å; R68-N72 PolarHBondContact O-OD1 3.16Å |
| 69 | D | 85 | Confident | 85 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.7 | -172.8 | 30.2 | 0 | 0 | 0 | 111.3 | Y50 G52 I53 N65 A66 N72 Y73 R480 | Y50-D69 VanDerWaalsContact OH-CG 3.28Å; Y50-D69 PolarHBondContact OH-OD1 3.42Å; Y50-D69 PolarHBondContact OH-OD2 3.15Å; G52-D69 WeakPolarHBondContact CA-OD2 3.47Å; I53-D69 PolarHBondContact N-OD2 3.38Å; N65-D69 PolarHBondContact O-N 3.49Å; A66-D69 PolarHBondContact O-N 3.05Å; D69-N72 PolarHBondContact O-N 2.9Å; D69-Y73 PolarHBondContact O-N 2.94Å; D69-R480 IonicContact OD2-CZ 3.59Å; D69-R480 IonicContact OD2-NE 3.81Å; D69-R480 PolarHBondContact OD2-NE 2.76Å; D69-R480 IonicContact OD2-NH2 2.66Å |
| 70 | F | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.2 | -152.2 | -71.3 | 0 | 0 | 0 | 112.7 | L11 A43 A45 F48 Y50 A66 A67 R68 Y73 L74 | L11-F70 HydrophobicContact CD1-CD1 3.83Å; L11-F70 HydrophobicContact CD1-CG 4.45Å; L11-F70 HydrophobicContact CD2-CB 3.86Å; L11-F70 HydrophobicContact CD2-CD1 4.42Å; L11-F70 HydrophobicContact CD2-CG 4.25Å; A43-F70 HydrophobicContact CB-CD2 4.37Å; A43-F70 WeakPolarHBondContact O-CD2 3.44Å; A45-F70 HydrophobicContact CB-CE1 4.5Å; A45-F70 HydrophobicContact CB-CE2 4.41Å; A45-F70 HydrophobicContact CB-CZ 3.87Å; F48-F70 HydrophobicContact CB-CZ 3.96Å; F48-F70 HydrophobicContact CD2-CE1 4.41Å; F48-F70 HydrophobicContact CD2-CZ 4.2Å; F48-F70 HydrophobicContact CG-CE1 4.47Å; F48-F70 HydrophobicContact CG-CZ 4.17Å; Y50-F70 HydrophobicContact CD1-CD2 4.35Å; Y50-F70 WeakPolarHBondContact O-CE2 3.47Å; A66-F70 PolarHBondContact O-N 3.43Å; A66-F70 VanDerWaalsContact O-N 3.07Å; A67-F70 PolarHBondContact O-N 3.46Å; R68-F70 VanDerWaalsContact C-N 3.34Å; R68-F70 PolarHBondContact O-N 3.42Å; F70-Y73 HydrophobicContact CD1-CD1 4.45Å; F70-Y73 HydrophobicContact CE1-CD1 4.28Å; F70-Y73 WeakPolarHBondContact O-CB 3.4Å; F70-Y73 PolarHBondContact O-N 3.24Å; F70-L74 HydrophobicContact CD1-CD1 3.79Å; F70-L74 HydrophobicContact CD1-CG 3.93Å; F70-L74 HydrophobicContact CE1-CD1 3.93Å; F70-L74 HydrophobicContact CE1-CD2 4.14Å; F70-L74 HydrophobicContact CE1-CG 3.98Å; F70-L74 WeakPolarHBondContact O-CG 3.49Å; F70-L74 PolarHBondContact O-N 3.21Å |
| 71 | V | 88.1 | Confident | 85 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | I7 F10 L11 A67 R68 Y73 L74 V75 V85 | I7-V71 HydrophobicContact CG1-CG2 4.31Å; F10-V71 HydrophobicContact CD1-CG1 4.27Å; F10-V71 HydrophobicContact CD1-CG2 4.09Å; F10-V71 HydrophobicContact CE1-CG1 3.95Å; F10-V71 HydrophobicContact CE1-CG2 4.38Å; L11-V71 HydrophobicContact CB-CG2 3.8Å; L11-V71 HydrophobicContact CD1-CG2 3.87Å; L11-V71 HydrophobicContact CD2-CG2 4.43Å; L11-V71 HydrophobicContact CG-CG2 4.23Å; A67-V71 WeakPolarHBondContact O-CG2 3.38Å; A67-V71 PolarHBondContact O-N 2.85Å; R68-V71 PolarHBondContact O-N 3.37Å; V71-Y73 VanDerWaalsContact C-N 3.27Å; V71-Y73 PolarHBondContact O-N 3.41Å; V71-L74 PolarHBondContact O-N 3.04Å; V71-L74 VanDerWaalsContact O-N 3.16Å; V71-V75 HydrophobicContact CG1-CG2 4.47Å; V71-V75 WeakPolarHBondContact O-CG2 3.31Å; V71-V75 PolarHBondContact O-N 2.74Å; V71-V85 HydrophobicContact CG1-CB 4.3Å; V71-V85 HydrophobicContact CG1-CG1 3.72Å; V71-V85 HydrophobicContact CG1-CG2 3.53Å |
| 72 | N | 84.7 | Confident | 84.8 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 34% | 0.342 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.9 | -33.1 | 175.7 | -72.4 | -11.1 | 0 | 0 | 0 | 112.4 | R68 D69 R76 | R68-N72 WeakPolarHBondContact O-CB 3.45Å; R68-N72 PolarHBondContact O-N 3.48Å; R68-N72 PolarHBondContact O-ND2 3.29Å; R68-N72 PolarHBondContact O-OD1 3.16Å; D69-N72 PolarHBondContact O-N 2.9Å; N72-R76 WeakPolarHBondContact O-CB 3.47Å; N72-R76 PolarHBondContact O-N 3.36Å; N72-R76 VanDerWaalsContact O-N 3.09Å |
| 73 | Y | 85.6 | Confident | 84.6 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -49.5 | 169.2 | 159.1 | -107.6 | 0 | 0 | 0 | 112.1 | F48 Y50 D69 F70 V71 V75 R76 E77 | F48-Y73 HydrophobicContact CB-CE1 4.25Å; F48-Y73 AromaticContact CD1-CE1 3.74Å; F48-Y73 HydrophobicContact CD1-CE1 3.74Å; F48-Y73 HydrophobicContact CE1-CE1 4.48Å; F48-Y73 HydrophobicContact CG-CE1 4.29Å; Y50-Y73 VanDerWaalsContact CB-CE1 3.45Å; Y50-Y73 VanDerWaalsContact CD1-CB 3.49Å; Y50-Y73 AromaticContact CD1-CD1 3.6Å; Y50-Y73 HydrophobicContact CD1-CD1 3.6Å; Y50-Y73 HydrophobicContact CD1-CD2 4.19Å; Y50-Y73 HydrophobicContact CD1-CE1 4.39Å; Y50-Y73 AromaticContact CD1-CG 3.48Å; Y50-Y73 HydrophobicContact CD1-CG 3.48Å; Y50-Y73 VanDerWaalsContact CD1-CG 3.48Å; Y50-Y73 AromaticContact CD2-CD2 3.9Å; Y50-Y73 HydrophobicContact CD2-CD2 3.9Å; Y50-Y73 HydrophobicContact CD2-CE2 4.3Å; Y50-Y73 HydrophobicContact CD2-CG 4.05Å; Y50-Y73 VanDerWaalsContact CE1-CB 3.46Å; Y50-Y73 HydrophobicContact CE1-CD1 4.46Å; Y50-Y73 AromaticContact CE1-CG 3.98Å; Y50-Y73 HydrophobicContact CE1-CG 3.98Å; Y50-Y73 HydrophobicContact CE2-CD2 4.41Å; Y50-Y73 HydrophobicContact CE2-CG 4.49Å; Y50-Y73 AromaticContact CG-CD1 3.68Å; Y50-Y73 HydrophobicContact CG-CD1 3.68Å; Y50-Y73 AromaticContact CG-CD2 3.77Å; Y50-Y73 HydrophobicContact CG-CD2 3.77Å; Y50-Y73 HydrophobicContact CG-CE1 4.07Å; Y50-Y73 HydrophobicContact CG-CE2 4.13Å; Y50-Y73 AromaticContact CG-CG 3.51Å; Y50-Y73 HydrophobicContact CG-CG 3.51Å; D69-Y73 PolarHBondContact O-N 2.94Å; F70-Y73 HydrophobicContact CD1-CD1 4.45Å; F70-Y73 HydrophobicContact CE1-CD1 4.28Å; F70-Y73 WeakPolarHBondContact O-CB 3.4Å; F70-Y73 PolarHBondContact O-N 3.24Å; V71-Y73 VanDerWaalsContact C-N 3.27Å; V71-Y73 PolarHBondContact O-N 3.41Å; Y73-V75 VanDerWaalsContact C-N 3.26Å; Y73-V75 PolarHBondContact O-N 3.23Å; Y73-R76 WeakPolarHBondContact O-CB 3.41Å; Y73-R76 PolarHBondContact O-N 2.91Å; Y73-E77 HydrophobicContact CD2-CG 3.67Å; Y73-E77 HydrophobicContact CE2-CG 3.28Å; Y73-E77 PolarHBondContact O-N 3.04Å |
| 74 | L | 87.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -33.9 | 178.7 | -68.6 | 175 | 0 | 0 | 0 | 112.9 | L11 F14 L15 F48 F70 V71 G78 E79 I80 | L11-L74 HydrophobicContact CD1-CD1 3.77Å; F14-L74 HydrophobicContact CD1-CD1 3.96Å; F14-L74 HydrophobicContact CE1-CD1 3.96Å; L15-L74 HydrophobicContact CD2-CD1 4.42Å; F48-L74 HydrophobicContact CD1-CD2 4.05Å; F48-L74 HydrophobicContact CE1-CD2 3.42Å; F48-L74 VanDerWaalsContact CE1-CD2 3.42Å; F48-L74 HydrophobicContact CE2-CD2 4.39Å; F48-L74 HydrophobicContact CZ-CD2 3.6Å; F70-L74 HydrophobicContact CD1-CD1 3.79Å; F70-L74 HydrophobicContact CD1-CG 3.93Å; F70-L74 HydrophobicContact CE1-CD1 3.93Å; F70-L74 HydrophobicContact CE1-CD2 4.14Å; F70-L74 HydrophobicContact CE1-CG 3.98Å; F70-L74 WeakPolarHBondContact O-CG 3.49Å; F70-L74 PolarHBondContact O-N 3.21Å; V71-L74 PolarHBondContact O-N 3.04Å; V71-L74 VanDerWaalsContact O-N 3.16Å; L74-G78 PolarHBondContact O-N 2.83Å; L74-E79 HydrophobicContact CB-CB 4.32Å; L74-E79 HydrophobicContact CD2-CB 4.08Å; L74-E79 HydrophobicContact CD2-CG 4.26Å; L74-E79 WeakPolarHBondContact O-CB 3.36Å; L74-E79 PolarHBondContact O-N 2.85Å; L74-I80 HydrophobicContact CB-CB 4.44Å; L74-I80 HydrophobicContact CB-CD1 3.65Å; L74-I80 HydrophobicContact CB-CG1 3.91Å; L74-I80 HydrophobicContact CD1-CD1 3.75Å; L74-I80 HydrophobicContact CG-CD1 4.36Å; L74-I80 PolarHBondContact O-N 2.76Å |
| 75 | V | 84.8 | Confident | 83.8 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 171.1 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | V71 Y73 E77 G78 I80 A82 V85 | V71-V75 HydrophobicContact CG1-CG2 4.47Å; V71-V75 WeakPolarHBondContact O-CG2 3.31Å; V71-V75 PolarHBondContact O-N 2.74Å; Y73-V75 VanDerWaalsContact C-N 3.26Å; Y73-V75 PolarHBondContact O-N 3.23Å; V75-E77 PolarHBondContact O-N 3Å; V75-G78 PolarHBondContact O-N 3.11Å; V75-G78 VanDerWaalsContact O-N 3.15Å; V75-I80 WeakPolarHBondContact CA-O 3.24Å; V75-I80 HydrophobicContact CG2-CB 3.92Å; V75-I80 HydrophobicContact CG2-CG2 3.82Å; V75-A82 HydrophobicContact CG1-CB 3.68Å; V75-V85 HydrophobicContact CG2-CG2 3.72Å |
| 76 | R | 81.9 | Confident | 83.2 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | -178.7 | -179.5 | 177.7 | 65.2 | -123.6 | 17.1 | 113.2 | N72 Y73 G78 | N72-R76 WeakPolarHBondContact O-CB 3.47Å; N72-R76 PolarHBondContact O-N 3.36Å; N72-R76 VanDerWaalsContact O-N 3.09Å; Y73-R76 WeakPolarHBondContact O-CB 3.41Å; Y73-R76 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact C-N 3.3Å |
| 77 | E | 83.6 | Confident | 81.6 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.5 | 177 | -50.2 | -50.1 | 132.8 | 0 | 0 | 113.3 | Y73 V75 | Y73-E77 HydrophobicContact CD2-CG 3.67Å; Y73-E77 HydrophobicContact CE2-CG 3.28Å; Y73-E77 PolarHBondContact O-N 3.04Å; V75-E77 PolarHBondContact O-N 3Å |
| 78 | G | 82 | Confident | 79.4 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 8.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L74 V75 R76 I80 | L74-G78 PolarHBondContact O-N 2.83Å; V75-G78 PolarHBondContact O-N 3.11Å; V75-G78 VanDerWaalsContact O-N 3.15Å; R76-G78 VanDerWaalsContact C-N 3.3Å; G78-I80 VanDerWaalsContact C-N 3.28Å |
| 79 | E | 84.4 | Confident | 76.5 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -70.5 | -25.7 | 174.1 | -70 | -93.6 | -178.5 | 0 | 0 | 112.2 | F14 K19 F48 L74 | F14-E79 HydrophobicContact CZ-CB 4.27Å; F14-E79 WeakPolarHBondContact CZ-O 3.32Å; K19-E79 WeakPolarHBondContact CE-OE2 3.18Å; K19-E79 IonicContact NZ-OE1 3.68Å; K19-E79 PolarHBondContact NZ-OE1 2.98Å; K19-E79 IonicContact NZ-OE2 3.22Å; K19-E79 PolarHBondContact NZ-OE2 2.88Å; F48-E79 HydrophobicContact CE1-CG 4.4Å; L74-E79 HydrophobicContact CB-CB 4.32Å; L74-E79 HydrophobicContact CD2-CB 4.08Å; L74-E79 HydrophobicContact CD2-CG 4.26Å; L74-E79 WeakPolarHBondContact O-CB 3.36Å; L74-E79 PolarHBondContact O-N 2.85Å |
| 80 | I | 85.8 | Confident | 74 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -130.9 | 130.9 | -179.6 | -63 | -178.1 | 0 | 0 | 0 | 110.4 | F10 F14 L74 V75 G78 S84 V85 | F10-I80 HydrophobicContact CE1-CD1 3.91Å; F10-I80 HydrophobicContact CE1-CG2 4.23Å; F10-I80 HydrophobicContact CZ-CD1 4.32Å; F10-I80 HydrophobicContact CZ-CG2 3.94Å; F14-I80 HydrophobicContact CB-CD1 4.48Å; F14-I80 HydrophobicContact CD1-CD1 3.8Å; F14-I80 HydrophobicContact CD1-CG1 4.23Å; F14-I80 HydrophobicContact CD2-CD1 3.84Å; F14-I80 HydrophobicContact CD2-CG1 3.8Å; F14-I80 HydrophobicContact CE1-CD1 3.94Å; F14-I80 HydrophobicContact CE1-CG1 3.92Å; F14-I80 HydrophobicContact CE2-CD1 3.98Å; F14-I80 HydrophobicContact CE2-CG1 3.44Å; F14-I80 VanDerWaalsContact CE2-CG1 3.44Å; F14-I80 HydrophobicContact CG-CD1 3.75Å; F14-I80 HydrophobicContact CG-CG1 4.19Å; F14-I80 HydrophobicContact CZ-CD1 4.03Å; F14-I80 HydrophobicContact CZ-CG1 3.51Å; L74-I80 HydrophobicContact CB-CB 4.44Å; L74-I80 HydrophobicContact CB-CD1 3.65Å; L74-I80 HydrophobicContact CB-CG1 3.91Å; L74-I80 HydrophobicContact CD1-CD1 3.75Å; L74-I80 HydrophobicContact CG-CD1 4.36Å; L74-I80 PolarHBondContact O-N 2.76Å; V75-I80 WeakPolarHBondContact CA-O 3.24Å; V75-I80 HydrophobicContact CG2-CB 3.92Å; V75-I80 HydrophobicContact CG2-CG2 3.82Å; G78-I80 VanDerWaalsContact C-N 3.28Å; I80-S84 VanDerWaalsContact CG2-OG 3.25Å; I80-S84 WeakPolarHBondContact CG2-OG 3.06Å; I80-V85 HydrophobicContact CG2-CG2 4.12Å |
| 81 | P | 79 | Confident | 70.9 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | trans | -72.5 | 129 | 169.7 | 29.6 | -32.2 | 0 | 0 | 0 | 110.5 | S83 S84 | P81-S83 PolarHBondContact O-N 2.69Å; P81-S84 WeakPolarHBondContact O-CB 3.47Å; P81-S84 PolarHBondContact O-N 3Å; P81-S84 PolarHBondContact O-OG 3.38Å | ||
| 82 | A | 77.4 | Confident | 67.8 | Low | 68 Ų | 68 | 72.6 Ų | 72.6 | 56% | 0.562 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -52.3 | -33.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V75 S84 V85 | V75-A82 HydrophobicContact CG1-CB 3.68Å; A82-S84 PolarHBondContact O-N 3.46Å; A82-S84 VanDerWaalsContact O-N 3.15Å; A82-V85 PolarHBondContact O-N 3.16Å |
| 83 | S | 79 | Confident | 64.9 | Low | 117 Ų | 117 | 75.9 Ų | 75.9 | 82% | 0.818 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -65.1 | -10.7 | 177.9 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | P81 | P81-S83 PolarHBondContact O-N 2.69Š|
| 84 | S | 79.4 | Confident | 61.8 | Low | 50 Ų | 50 | 81.6 Ų | 81.6 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -92.1 | -5.2 | 176.8 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | F10 I80 P81 A82 | F10-S84 WeakPolarHBondContact CE2-O 3.35Å; I80-S84 VanDerWaalsContact CG2-OG 3.25Å; I80-S84 WeakPolarHBondContact CG2-OG 3.06Å; P81-S84 WeakPolarHBondContact O-CB 3.47Å; P81-S84 PolarHBondContact O-N 3Å; P81-S84 PolarHBondContact O-OG 3.38Å; A82-S84 PolarHBondContact O-N 3.46Å; A82-S84 VanDerWaalsContact O-N 3.15Å |
| 85 | V | 77.5 | Confident | 58.7 | Low | 34 Ų | 34 | 90.7 Ų | 90.7 | 21% | 0.206 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -91.2 | 132 | -176.1 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | I7 F10 V71 V75 I80 A82 | I7-V85 HydrophobicContact CD1-CG1 3.85Å; F10-V85 HydrophobicContact CE1-CG2 4.1Å; F10-V85 HydrophobicContact CZ-CG2 4.33Å; V71-V85 HydrophobicContact CG1-CB 4.3Å; V71-V85 HydrophobicContact CG1-CG1 3.72Å; V71-V85 HydrophobicContact CG1-CG2 3.53Å; V75-V85 HydrophobicContact CG2-CG2 3.72Å; I80-V85 HydrophobicContact CG2-CG2 4.12Å; A82-V85 PolarHBondContact O-N 3.16Å |
| 86 | P | 71.6 | Confident | 55.8 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 40% | 0.403 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 134 | 177.5 | -23 | 34.1 | 0 | 0 | 0 | 113.9 | ||
| 87 | A | 52 | Low | 52.9 | Low | 102 Ų | 102 | 100.5 Ų | 100.5 | 84% | 0.843 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 154.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 88 | I | 42.9 | Very low | 50.4 | Low | 91 Ų | 91 | 101.7 Ų | 101.7 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | trans | -136.6 | 137 | -179.5 | -57.1 | 177.4 | 0 | 0 | 0 | 109.2 | ||||
| 89 | Q | 26.4 | Very low | 47.6 | Very low | 178 Ų | 178 | 103.7 Ų | 103.7 | 83% | 0.832 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 138 | 172.7 | -70.4 | -178.2 | -13.6 | 0 | 0 | 111.4 | ||
| 90 | P | 31.2 | Very low | 44.6 | Very low | 81 Ų | 81 | 105 Ų | 105 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -97.7 | 157.9 | 173.3 | 34.8 | -28.7 | 0 | 0 | 0 | 113.3 | T331 | P90-T331 HydrophobicContact CB-CG2 3.83Å; P90-T331 HydrophobicContact CG-CG2 4.35Å; P90-T331 WeakPolarHBondContact CG-O 3.49Å |
| 91 | G | 25.1 | Very low | 41.6 | Very low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 165.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 92 | N | 22.3 | Very low | 38.8 | Very low | 152 Ų | 152 | 111.1 Ų | 111.1 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -95 | 144 | -177 | -71.4 | -23 | 0 | 0 | 0 | 113.4 | ||
| 93 | V | 22.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 113.8 Ų | 113.8 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | trans | -136.2 | 148.6 | 159.6 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 94 | I | 21.8 | Very low | 33.5 | Very low | 155 Ų | 155 | 112.4 Ų | 112.4 | 80% | 0.795 | 68% | 0.682 | S | S | * | * | trans | -102.6 | 144.8 | -166.3 | -61.3 | 163.9 | 0 | 0 | 0 | 111.3 | ||||
| 95 | Y | 22.8 | Very low | 30.7 | Very low | 191 Ų | 191 | 118 Ų | 118 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -133.3 | 159.6 | 168.1 | -75.4 | -75.9 | 0 | 0 | 0 | 111 | ||||
| 96 | S | 22.4 | Very low | 28 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | trans | -140.1 | 150 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 97 | E | 22.3 | Very low | 25.6 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 91% | 0.907 | 75% | 0.749 | S | S | * | * | trans | -106.6 | 167.4 | -168.2 | -80.4 | -159.5 | 130.5 | 0 | 0 | 115.7 | ||||
| 98 | P | 29.7 | Very low | 24.2 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -106.7 | -178 | -169.9 | 41.7 | -35.4 | 0 | 0 | 0 | 115.3 | ||||
| 99 | A | 22.9 | Very low | 23.2 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -134.8 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 100 | S | 22.8 | Very low | 22.9 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -92.5 | -179.1 | -164.4 | 55.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 101 | T | 22 | Very low | 22.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | cis | -172.6 | 146.3 | 49.2 | -27.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 102 | S | 21.7 | Very low | 22.8 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 50.9 | -172.9 | 154.2 | 71.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 103 | T | 21.7 | Very low | 22.9 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | cis | -169.4 | 164.4 | -2.9 | 6.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 104 | S | 21.4 | Very low | 23 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | cis | 179.2 | 149.4 | -21.7 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 105 | E | 21 | Very low | 23 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 68 | 156.2 | 158.1 | -75.1 | 172.8 | -126.7 | 0 | 0 | 120.4 | ||||
| 106 | N | 21.7 | Very low | 23.1 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | cis | -153.4 | -178.5 | 6.2 | -125.9 | -30.2 | 0 | 0 | 0 | 115.8 | ||||
| 107 | F | 20.3 | Very low | 23.1 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -86 | 168.4 | -165.5 | -76.9 | -104.7 | 0 | 0 | 0 | 120 | ||||
| 108 | G | 22.1 | Very low | 23.2 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -174.8 | 67.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 109 | Q | 22.6 | Very low | 23 | Very low | 203 Ų | 203 | 129.6 Ų | 129.6 | 95% | 0.949 | 77% | 0.768 | S | S | * | * | trans | 58.4 | 155.8 | 141.5 | -64.2 | -172.5 | -1.7 | 0 | 0 | 126.5 | ||||
| 110 | S | 21.5 | Very low | 23.1 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -161.7 | -164.4 | 178.6 | 63 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 111 | P | 30.3 | Very low | 23.2 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | cis | -141.5 | -138 | 3.7 | 43.5 | -19.8 | 0 | 0 | 0 | 114.6 | ||||
| 112 | Q | 23.8 | Very low | 23.6 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 92.8 | 158.8 | 166.8 | -59.4 | -172.8 | -2.5 | 0 | 0 | 120 | ||||
| 113 | Q | 22.8 | Very low | 24.2 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | 176.8 | 133 | -63.7 | -105.1 | -166.6 | -1.1 | 0 | 0 | 111.7 | |||||
| 114 | Q | 25.7 | Very low | 24.8 | Very low | 205 Ų | 205 | 124.8 Ų | 124.8 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | trans | 167.3 | 146.5 | 153.9 | -98.1 | 162 | 58.8 | 0 | 0 | 109.8 | ||||
| 115 | G | 22.4 | Very low | 25.4 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | 138.8 | 97.1 | -15.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 116 | N | 24.5 | Very low | 26.3 | Very low | 171 Ų | 171 | 122.8 Ų | 122.8 | 91% | 0.914 | 73% | 0.734 | S | S | * | * | trans | -168 | 167.9 | 156.1 | -112.8 | -36.6 | 0 | 0 | 0 | 114.4 | ||||
| 117 | S | 22.9 | Very low | 27.4 | Very low | 64 Ų | 64 | 118.8 Ų | 118.8 | 45% | 0.448 | 72% | 0.716 | S | S | . | * | trans | -150 | 179.5 | -157.6 | 66 | 0 | 0 | 0 | 0 | 116.6 | D879 | S117-D879 VanDerWaalsContact CB-OD2 3.3Å; S117-D879 WeakPolarHBondContact CB-OD2 3.31Å | ||
| 118 | L | 24.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 115 Ų | 115 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | 75.1 | 151.6 | 168.8 | -62.8 | 151.2 | 0 | 0 | 0 | 117.3 | ||||
| 119 | G | 25.4 | Very low | 30.1 | Very low | 68 Ų | 68 | 118 Ų | 118 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | cis | -169.2 | -174 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 120 | S | 25.1 | Very low | 32.1 | Very low | 82 Ų | 82 | 109.9 Ų | 109.9 | 57% | 0.573 | 66% | 0.657 | S | S | * | * | trans | -163.5 | 137.6 | 178.6 | 175.3 | 0 | 0 | 0 | 0 | 114.2 | R881 | S120-R881 VanDerWaalsContact O-CZ 3.28Å; S120-R881 PolarHBondContact O-NH1 3.33Å; S120-R881 VanDerWaalsContact O-NH1 3.14Å; S120-R881 PolarHBondContact O-NH2 3.44Å; S120-R881 PolarHBondContact OG-NH1 3Å | ||
| 121 | G | 25.1 | Very low | 34.3 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -136 | 166.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 122 | G | 28.6 | Very low | 36.2 | Very low | 80 Ų | 80 | 110.9 Ų | 110.9 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | trans | 113.9 | 107.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 123 | S | 35.3 | Very low | 38.6 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -163.2 | 12.3 | -173.7 | -160.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 124 | Y | 33.4 | Very low | 41.1 | Very low | 124 Ų | 124 | 96.2 Ų | 96.2 | 49% | 0.486 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -84.9 | -46.7 | -171.8 | -167.1 | -142.3 | 0 | 0 | 0 | 114.7 | S126 S127 R573 | Y124-S126 PolarHBondContact O-N 2.84Å; Y124-S127 PolarHBondContact O-N 2.7Å; Y124-S127 PolarHBondContact O-OG 3.26Å; Y124-S127 VanDerWaalsContact O-OG 3.08Å; Y124-R573 VanDerWaalsContact CD2-CZ 3.44Å |
| 125 | I | 34.1 | Very low | 43.6 | Very low | 160 Ų | 160 | 89.2 Ų | 89.2 | 82% | 0.821 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.6 | -20.1 | -172.8 | -68.1 | 173.1 | 0 | 0 | 0 | 112.5 | ||
| 126 | S | 40.3 | Very low | 46.2 | Very low | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71 | -38.3 | 175.3 | 86 | 0 | 0 | 0 | 0 | 112.4 | Y124 I128 Y129 D130 | Y124-S126 PolarHBondContact O-N 2.84Å; S126-I128 VanDerWaalsContact C-N 3.3Å; S126-I128 PolarHBondContact O-N 3.33Å; S126-I128 VanDerWaalsContact O-N 3.11Å; S126-Y129 PolarHBondContact O-N 2.65Å; S126-D130 WeakPolarHBondContact CB-OD2 3.12Å; S126-D130 WeakPolarHBondContact O-CB 3.42Å; S126-D130 PolarHBondContact O-N 2.7Å; S126-D130 VanDerWaalsContact O-OD2 3.11Å; S126-D130 PolarHBondContact OG-OD2 2.88Å |
| 127 | S | 45.6 | Very low | 48.7 | Very low | 44 Ų | 44 | 81.8 Ų | 81.8 | 31% | 0.308 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -31 | -162.8 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | Y124 Q131 | Y124-S127 PolarHBondContact O-N 2.7Å; Y124-S127 PolarHBondContact O-OG 3.26Å; Y124-S127 VanDerWaalsContact O-OG 3.08Å; S127-Q131 VanDerWaalsContact O-CB 3.3Å; S127-Q131 WeakPolarHBondContact O-CB 3.4Å; S127-Q131 PolarHBondContact O-N 3.42Å |
| 128 | I | 48.8 | Very low | 51.4 | Low | 124 Ų | 124 | 79.1 Ų | 79.1 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -72.1 | -41.1 | 176.2 | -62.3 | 172.9 | 0 | 0 | 0 | 111 | S126 Q131 K132 | S126-I128 VanDerWaalsContact C-N 3.3Å; S126-I128 PolarHBondContact O-N 3.33Å; S126-I128 VanDerWaalsContact O-N 3.11Å; I128-Q131 PolarHBondContact O-N 2.84Å; I128-K132 PolarHBondContact O-N 3.29Å |
| 129 | Y | 48.8 | Very low | 54 | Low | 134 Ų | 134 | 73.6 Ų | 73.6 | 53% | 0.525 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 176.9 | -174.3 | -91.6 | 0 | 0 | 0 | 111.8 | S126 Q131 K133 L1004 | S126-Y129 PolarHBondContact O-N 2.65Å; Y129-Q131 VanDerWaalsContact C-N 3.33Å; Y129-K133 HydrophobicContact CD1-CD 4.34Å; Y129-K133 HydrophobicContact CE1-CD 3.76Å; Y129-K133 WeakPolarHBondContact OH-CE 3.46Å; Y129-K133 PolarHBondContact OH-NZ 3.11Å; Y129-L1004 HydrophobicContact CE1-CD2 4.49Å |
| 130 | D | 64.7 | Low | 56.5 | Low | 33 Ų | 33 | 71.7 Ų | 71.7 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 173.6 | -63 | -34.1 | 0 | 0 | 0 | 110.8 | S126 K133 L134 A1035 | S126-D130 WeakPolarHBondContact CB-OD2 3.12Å; S126-D130 WeakPolarHBondContact O-CB 3.42Å; S126-D130 PolarHBondContact O-N 2.7Å; S126-D130 VanDerWaalsContact O-OD2 3.11Å; S126-D130 PolarHBondContact OG-OD2 2.88Å; D130-K133 PolarHBondContact O-N 3.37Å; D130-L134 PolarHBondContact O-N 2.74Å; D130-A1035 HydrophobicContact CB-CB 4.28Å |
| 131 | Q | 67.8 | Low | 59 | Low | 108 Ų | 108 | 69 Ų | 69 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.9 | -47.5 | -178.5 | -177.3 | 173 | -9.6 | 0 | 0 | 113.7 | S127 I128 Y129 K133 L134 E135 | S127-Q131 VanDerWaalsContact O-CB 3.3Å; S127-Q131 WeakPolarHBondContact O-CB 3.4Å; S127-Q131 PolarHBondContact O-N 3.42Å; I128-Q131 PolarHBondContact O-N 2.84Å; Y129-Q131 VanDerWaalsContact C-N 3.33Å; Q131-K133 PolarHBondContact O-N 3.32Å; Q131-L134 WeakPolarHBondContact O-CB 3.33Å; Q131-L134 PolarHBondContact O-N 2.98Å; Q131-E135 PolarHBondContact O-N 3.09Å; Q131-E135 VanDerWaalsContact O-N 3.16Å |
| 132 | K | 71.5 | Confident | 61.4 | Low | 132 Ų | 132 | 69.3 Ų | 69.3 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.1 | -36 | 178.3 | -173.4 | -177.4 | 177.5 | -159.9 | 0 | 111.5 | I128 E135 E136 | I128-K132 PolarHBondContact O-N 3.29Å; K132-E135 PolarHBondContact O-N 2.93Å; K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 IonicContact NZ-OE1 2.78Å; K132-E136 PolarHBondContact NZ-OE1 3.25Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 3.37Å |
| 133 | K | 73 | Confident | 64 | Low | 36 Ų | 36 | 67 Ų | 67 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.1 | -24.4 | 178.6 | -65.7 | -164.8 | 159.4 | -160.2 | 0 | 113.5 | Y129 D130 Q131 A137 L1004 | Y129-K133 HydrophobicContact CD1-CD 4.34Å; Y129-K133 HydrophobicContact CE1-CD 3.76Å; Y129-K133 WeakPolarHBondContact OH-CE 3.46Å; Y129-K133 PolarHBondContact OH-NZ 3.11Å; D130-K133 PolarHBondContact O-N 3.37Å; Q131-K133 PolarHBondContact O-N 3.32Å; K133-A137 WeakPolarHBondContact O-CB 3.5Å; K133-A137 PolarHBondContact O-N 3.41Å; K133-A137 VanDerWaalsContact O-N 3.16Å; K133-L1004 HydrophobicContact CB-CB 4.41Å; K133-L1004 HydrophobicContact CD-CB 3.75Å; K133-L1004 HydrophobicContact CD-CD2 3.59Å; K133-L1004 HydrophobicContact CD-CG 4.27Å |
| 134 | L | 75.1 | Confident | 66.2 | Low | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 167 | -166.5 | 67.4 | 0 | 0 | 0 | 111 | D130 Q131 A137 E138 R1032 V1036 | D130-L134 PolarHBondContact O-N 2.74Å; Q131-L134 WeakPolarHBondContact O-CB 3.33Å; Q131-L134 PolarHBondContact O-N 2.98Å; L134-A137 PolarHBondContact O-N 2.67Å; L134-E138 PolarHBondContact O-N 3.31Å; L134-R1032 HydrophobicContact CD1-CG 3.79Å; L134-V1036 HydrophobicContact CD1-CG2 3.83Å |
| 135 | E | 78.3 | Confident | 68.6 | Low | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 179.1 | -63.5 | 179.5 | 161.4 | 0 | 0 | 111.6 | Q131 K132 A137 E138 E139 N209 L212 | Q131-E135 PolarHBondContact O-N 3.09Å; Q131-E135 VanDerWaalsContact O-N 3.16Å; K132-E135 PolarHBondContact O-N 2.93Å; E135-A137 VanDerWaalsContact C-N 3.26Å; E135-A137 PolarHBondContact O-N 3.35Å; E135-E138 PolarHBondContact O-N 2.99Å; E135-E138 VanDerWaalsContact O-N 3.13Å; E135-E139 PolarHBondContact O-N 3.04Å; E135-N209 PolarHBondContact OE1-ND2 3.34Å; E135-L212 HydrophobicContact CB-CD1 3.89Å; E135-L212 HydrophobicContact CG-CD1 3.84Å |
| 136 | E | 77.8 | Confident | 71 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 173 | -71.8 | 167 | -177.8 | 0 | 0 | 112.2 | K132 | K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 IonicContact NZ-OE1 2.78Å; K132-E136 PolarHBondContact NZ-OE1 3.25Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 3.37Å |
| 137 | A | 75.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.1 | -31.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | K133 L134 E135 E139 N723 T1003 V1036 | K133-A137 WeakPolarHBondContact O-CB 3.5Å; K133-A137 PolarHBondContact O-N 3.41Å; K133-A137 VanDerWaalsContact O-N 3.16Å; L134-A137 PolarHBondContact O-N 2.67Å; E135-A137 VanDerWaalsContact C-N 3.26Å; E135-A137 PolarHBondContact O-N 3.35Å; A137-E139 VanDerWaalsContact C-N 3.32Å; A137-N723 PolarHBondContact O-ND2 3.13Å; A137-T1003 HydrophobicContact CB-CG2 4.17Å; A137-V1036 HydrophobicContact CB-CG2 3.78Å |
| 138 | E | 80 | Confident | 75.3 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74 | -18.9 | 174.7 | -81.7 | -172.1 | 168.1 | 0 | 0 | 113.3 | L134 E135 S208 L212 R722 N723 L725 R1032 | L134-E138 PolarHBondContact O-N 3.31Å; E135-E138 PolarHBondContact O-N 2.99Å; E135-E138 VanDerWaalsContact O-N 3.13Å; E138-S208 WeakPolarHBondContact OE1-CB 3.35Å; E138-S208 PolarHBondContact OE1-N 3.17Å; E138-S208 WeakPolarHBondContact OE2-CB 3.41Å; E138-S208 PolarHBondContact OE2-N 2.94Å; E138-S208 PolarHBondContact OE2-OG 3.42Å; E138-L212 HydrophobicContact CB-CD1 4.02Å; E138-L212 VanDerWaalsContact OE2-CD1 3.32Å; E138-L212 WeakPolarHBondContact OE2-CD1 3.17Å; E138-R722 VanDerWaalsContact O-CZ 3.29Å; E138-R722 PolarHBondContact O-NH1 3.41Å; E138-R722 PolarHBondContact O-NH2 2.88Å; E138-N723 PolarHBondContact O-ND2 2.95Å; E138-L725 HydrophobicContact CG-CD1 4.14Å; E138-R1032 WeakPolarHBondContact OE1-CD 3.48Å; E138-R1032 IonicContact OE1-CZ 3.48Å; E138-R1032 IonicContact OE1-NE 2.75Å; E138-R1032 PolarHBondContact OE1-NE 2.91Å; E138-R1032 IonicContact OE1-NH1 3.02Å; E138-R1032 PolarHBondContact OE1-NH1 3.09Å |
| 139 | E | 80.7 | Confident | 77.1 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.9 | 175.4 | -78 | -157.8 | 133.2 | 0 | 0 | 115 | E135 A137 M152 L212 R215 K241 | E135-E139 PolarHBondContact O-N 3.04Å; A137-E139 VanDerWaalsContact C-N 3.32Å; E139-M152 WeakPolarHBondContact O-CG 3.41Å; E139-L212 HydrophobicContact CG-CD2 3.71Å; E139-R215 IonicContact OE1-CZ 2.76Å; E139-R215 IonicContact OE1-NH1 2.72Å; E139-R215 PolarHBondContact OE1-NH1 3.47Å; E139-R215 IonicContact OE1-NH2 3.52Å; E139-R215 PolarHBondContact OE1-NH2 2.69Å; E139-K241 IonicContact OE2-NZ 3.49Å; E139-K241 PolarHBondContact OE2-NZ 2.66Å |
| 140 | V | 77.2 | Confident | 79 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | trans | -64.8 | 148.2 | -170.7 | -172 | 0 | 0 | 0 | 0 | 112.7 | L142 R722 N723 E1001 T1003 | V140-L142 HydrophobicContact CG1-CD2 4.32Å; V140-L142 HydrophobicContact CG1-CG 4.38Å; V140-R722 PolarHBondContact O-NH1 3.4Å; V140-N723 HydrophobicContact CB-CB 4.13Å; V140-E1001 HydrophobicContact CB-CG 4.4Å; V140-E1001 HydrophobicContact CG1-CB 4.01Å; V140-E1001 HydrophobicContact CG1-CG 3.74Å; V140-E1001 WeakPolarHBondContact CG1-OE1 3.43Å; V140-E1001 HydrophobicContact CG2-CB 3.97Å; V140-E1001 HydrophobicContact CG2-CG 4.27Å; V140-T1003 HydrophobicContact CG2-CG2 3.76Å | ||
| 141 | D | 78.1 | Confident | 80.2 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | trans | -143.2 | 92 | 178.3 | -172.5 | -10.5 | 0 | 0 | 0 | 111.5 | T143 S144 S151 R223 R722 | D141-T143 PolarHBondContact O-N 2.81Å; D141-T143 PolarHBondContact OD1-N 3.04Å; D141-T143 PolarHBondContact OD1-OG1 3.45Å; D141-S144 PolarHBondContact OD1-N 2.92Å; D141-S151 WeakPolarHBondContact OD2-CA 3.33Å; D141-R223 IonicContact OD1-CZ 3.56Å; D141-R223 IonicContact OD1-NH2 2.74Å; D141-R223 PolarHBondContact OD1-NH2 2.89Å; D141-R223 IonicContact OD2-CZ 3.73Å; D141-R223 IonicContact OD2-NH2 3.39Å; D141-R223 PolarHBondContact OD2-NH2 3.19Å; D141-R722 CarbonylContact C-O 3.58Å; D141-R722 WeakPolarHBondContact CA-O 3.3Å | ||
| 142 | L | 75.6 | Confident | 81 | Confident | 81 Ų | 81 | 36.9 Ų | 36.9 | 42% | 0.424 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -72.2 | -9.4 | 174.9 | -60 | 174.5 | 0 | 0 | 0 | 113.2 | V140 R722 E1001 | V140-L142 HydrophobicContact CG1-CD2 4.32Å; V140-L142 HydrophobicContact CG1-CG 4.38Å; L142-R722 WeakPolarHBondContact CB-O 3.34Å; L142-R722 PolarHBondContact N-O 2.92Å; L142-E1001 HydrophobicContact CD2-CG 4.37Å |
| 143 | T | 81.2 | Confident | 81.7 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 18% | 0.184 | 18% | 0.184 | C | C | . | . | trans | -110.3 | -9.5 | -174 | 56.1 | 0 | 0 | 0 | 0 | 114 | D141 D145 L146 H147 R223 E811 | D141-T143 PolarHBondContact O-N 2.81Å; D141-T143 PolarHBondContact OD1-N 3.04Å; D141-T143 PolarHBondContact OD1-OG1 3.45Å; T143-D145 PolarHBondContact O-N 3.46Å; T143-L146 VanDerWaalsContact O-CB 3.31Å; T143-L146 WeakPolarHBondContact O-CB 3.46Å; T143-L146 PolarHBondContact O-N 3.32Å; T143-H147 PolarHBondContact O-CD2 3.46Å; T143-H147 VanDerWaalsContact O-CD2 3.32Å; T143-R223 PolarHBondContact OG1-NH1 2.82Å; T143-R223 PolarHBondContact OG1-NH2 2.86Å; T143-E811 WeakPolarHBondContact CB-OE1 3.38Å; T143-E811 HydrophobicContact CG2-CG 4.37Å; T143-E811 PolarHBondContact OG1-OE1 2.73Å | ||
| 144 | S | 81.9 | Confident | 82.5 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -46 | -36.1 | -172.4 | 62.3 | 0 | 0 | 0 | 0 | 116.4 | D141 L146 H147 G148 G149 W150 K238 | D141-S144 PolarHBondContact OD1-N 2.92Å; S144-L146 PolarHBondContact O-N 3.13Å; S144-H147 CarbonylContact O-C 3.56Å; S144-H147 PolarHBondContact O-N 2.92Å; S144-G148 PolarHBondContact O-N 3.02Å; S144-G149 WeakPolarHBondContact O-CA 3.42Å; S144-G149 PolarHBondContact O-N 3.16Å; S144-W150 WeakPolarHBondContact CB-O 3.34Å; S144-K238 PolarHBondContact OG-NZ 3.38Å |
| 145 | D | 83.5 | Confident | 83.3 | Confident | 123 Ų | 123 | 33.4 Ų | 33.4 | 66% | 0.658 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -64.7 | -35.3 | 176.4 | -68.4 | -65 | 0 | 0 | 0 | 113.9 | T143 H147 G148 K238 | T143-D145 PolarHBondContact O-N 3.46Å; D145-H147 PolarHBondContact O-N 3.07Å; D145-G148 PolarHBondContact O-N 3.09Å; D145-K238 WeakPolarHBondContact OD1-CE 3.32Å; D145-K238 IonicContact OD1-NZ 3.66Å; D145-K238 PolarHBondContact OD1-NZ 2.88Å; D145-K238 IonicContact OD2-NZ 3.5Å; D145-K238 PolarHBondContact OD2-NZ 2.88Å |
| 146 | L | 84.7 | Confident | 83.9 | Confident | 48 Ų | 48 | 34.4 Ų | 34.4 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -66.8 | -21 | 174.7 | -176.6 | 62.2 | 0 | 0 | 0 | 112.5 | T143 S144 H227 I810 E811 H814 | T143-L146 VanDerWaalsContact O-CB 3.31Å; T143-L146 WeakPolarHBondContact O-CB 3.46Å; T143-L146 PolarHBondContact O-N 3.32Å; S144-L146 PolarHBondContact O-N 3.13Å; L146-H227 PolarHBondContact O-CE1 3.45Å; L146-I810 HydrophobicContact CD1-CG2 3.99Å; L146-I810 HydrophobicContact CD2-CG2 4.2Å; L146-I810 HydrophobicContact CG-CG2 4.01Å; L146-E811 HydrophobicContact CD2-CG 4.06Å; L146-H814 HydrophobicContact CD1-CB 3.88Å; L146-H814 HydrophobicContact CD2-CB 3.61Å; L146-H814 HydrophobicContact CG-CB 4.43Å |
| 147 | H | 89.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -114.9 | 38.5 | 179.6 | -48.6 | -94.7 | 0 | 0 | 0 | 111.6 | T143 S144 D145 G149 W150 R223 H227 E811 | T143-H147 PolarHBondContact O-CD2 3.46Å; T143-H147 VanDerWaalsContact O-CD2 3.32Å; S144-H147 CarbonylContact O-C 3.56Å; S144-H147 PolarHBondContact O-N 2.92Å; D145-H147 PolarHBondContact O-N 3.07Å; H147-G149 VanDerWaalsContact C-N 3.3Å; H147-G149 PolarHBondContact O-N 2.97Å; H147-W150 PolarHBondContact O-N 2.76Å; H147-R223 HydrophobicContact CB-CB 4.2Å; H147-R223 HydrophobicContact CB-CG 3.65Å; H147-R223 PolarHBondContact CD2-NH1 2.92Å; H147-R223 VanDerWaalsContact CD2-NH1 3.27Å; H147-R223 PolarHBondContact NE2-NH1 2.84Å; H147-H227 AromaticContact CE1-NE2 3.72Å; H147-H227 AromaticContact CG-NE2 3.77Å; H147-H227 AromaticContact ND1-CD2 3.48Å; H147-H227 PolarHBondContact ND1-CD2 2.94Å; H147-H227 AromaticContact ND1-NE2 3.01Å; H147-H227 PolarHBondContact ND1-NE2 2.86Å; H147-E811 IonicContact CE1-OE1 2.62Å; H147-E811 VanDerWaalsContact NE2-CG 3.33Å; H147-E811 WeakPolarHBondContact NE2-CG 3.41Å; H147-E811 IonicContact NE2-OE1 3.02Å; H147-E811 PolarHBondContact NE2-OE1 3.34Å |
| 148 | G | 86.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 30 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S144 D145 W150 A233 Y234 | S144-G148 PolarHBondContact O-N 3.02Å; D145-G148 PolarHBondContact O-N 3.09Å; G148-W150 VanDerWaalsContact C-N 3.32Å; G148-W150 PolarHBondContact O-N 3Å; G148-A233 CarbonylContact O-C 3.58Å; G148-A233 WeakPolarHBondContact O-CA 3.42Å; G148-Y234 PolarHBondContact O-N 3Å |
| 149 | G | 86.2 | Confident | 85.9 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S144 H147 N154 | S144-G149 WeakPolarHBondContact O-CA 3.42Å; S144-G149 PolarHBondContact O-N 3.16Å; H147-G149 VanDerWaalsContact C-N 3.3Å; H147-G149 PolarHBondContact O-N 2.97Å; G149-N154 PolarHBondContact O-ND2 3.24Å |
| 150 | W | 90.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | trans | -73.4 | 129.7 | 176.5 | -64.1 | 117.4 | 0 | 0 | 0 | 111.6 | S144 H147 G148 N154 R158 L219 V222 R223 E232 Y234 | S144-W150 WeakPolarHBondContact CB-O 3.34Å; H147-W150 PolarHBondContact O-N 2.76Å; G148-W150 VanDerWaalsContact C-N 3.32Å; G148-W150 PolarHBondContact O-N 3Å; W150-N154 HydrophobicContact CE3-CB 4.37Å; W150-N154 HydrophobicContact CZ3-CB 4.25Å; W150-R158 HydrophobicContact CE3-CB 4.32Å; W150-R158 HydrophobicContact CE3-CG 4.47Å; W150-R158 HydrophobicContact CH2-CB 3.96Å; W150-R158 VanDerWaalsContact CH2-CD 3.49Å; W150-R158 HydrophobicContact CH2-CG 3.45Å; W150-R158 VanDerWaalsContact CH2-CG 3.45Å; W150-R158 HydrophobicContact CZ2-CG 3.97Å; W150-R158 HydrophobicContact CZ3-CB 3.66Å; W150-R158 HydrophobicContact CZ3-CG 3.71Å; W150-L219 HydrophobicContact CB-CD1 4.3Å; W150-V222 HydrophobicContact CB-CG1 3.9Å; W150-V222 HydrophobicContact CD2-CG1 3.5Å; W150-V222 HydrophobicContact CE3-CG1 3.9Å; W150-V222 HydrophobicContact CG-CG1 3.46Å; W150-V222 VanDerWaalsContact CG-CG1 3.46Å; W150-R223 HydrophobicContact CB-CG 4.47Å; W150-E232 WeakPolarHBondContact CZ2-O 3.4Å; W150-E232 PolarHBondContact NE1-O 2.89Å; W150-Y234 HydrophobicContact CE3-CD2 4.3Å; W150-Y234 HydrophobicContact CE3-CG 4.42Å; W150-Y234 AromaticContact CH2-CD2 3.77Å; W150-Y234 HydrophobicContact CH2-CD2 3.77Å; W150-Y234 HydrophobicContact CH2-CG 4.31Å; W150-Y234 AromaticContact CZ3-CD2 3.58Å; W150-Y234 HydrophobicContact CZ3-CD2 3.58Å; W150-Y234 HydrophobicContact CZ3-CG 4.11Å | ||
| 151 | S | 89.1 | Confident | 87 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | trans | -144.8 | 174.7 | -171.6 | 79.6 | 0 | 0 | 0 | 0 | 112.9 | D141 E153 N154 A155 | D141-S151 WeakPolarHBondContact OD2-CA 3.33Å; S151-E153 PolarHBondContact O-N 3.23Å; S151-E153 VanDerWaalsContact O-N 3.07Å; S151-E153 PolarHBondContact OG-N 3.07Å; S151-N154 PolarHBondContact N-OD1 3.03Å; S151-N154 PolarHBondContact O-N 2.71Å; S151-N154 PolarHBondContact O-OD1 2.9Å; S151-N154 PolarHBondContact OG-OD1 3.07Å; S151-A155 VanDerWaalsContact O-CB 3.25Å; S151-A155 WeakPolarHBondContact O-CB 3.15Å; S151-A155 PolarHBondContact O-N 3.33Å; S151-A155 VanDerWaalsContact O-N 3.1Å | ||
| 152 | M | 84.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.3 | 178.1 | -73.7 | -69.6 | -77.5 | 0 | 0 | 114.6 | E139 L212 R215 A216 L219 | E139-M152 WeakPolarHBondContact O-CG 3.41Å; M152-L212 HydrophobicContact CE-CD2 4.01Å; M152-R215 HydrophobicContact CE-CB 3.63Å; M152-R215 VanDerWaalsContact O-CZ 3.28Å; M152-R215 PolarHBondContact O-NE 3.39Å; M152-R215 PolarHBondContact O-NH2 2.77Å; M152-R215 HydrophobicContact SD-CB 4.07Å; M152-A216 HydrophobicContact CE-CB 4.31Å; M152-A216 VanDerWaalsContact SD-CA 3.59Å; M152-A216 HydrophobicContact SD-CB 4.01Å; M152-A216 PolarHBondContact SD-N 2.9Å; M152-L219 HydrophobicContact CG-CD2 3.98Å; M152-L219 HydrophobicContact SD-CB 4.46Å; M152-L219 HydrophobicContact SD-CD2 4.02Å |
| 153 | E | 85.5 | Confident | 88.4 | Confident | 88 Ų | 88 | 35 Ų | 35 | 41% | 0.411 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -39.3 | -177.5 | -60.7 | -163.6 | 168.6 | 0 | 0 | 113.1 | S151 K241 | S151-E153 PolarHBondContact O-N 3.23Å; S151-E153 VanDerWaalsContact O-N 3.07Å; S151-E153 PolarHBondContact OG-N 3.07Å; E153-K241 WeakPolarHBondContact OE1-CE 3.5Å; E153-K241 IonicContact OE1-NZ 3.78Å; E153-K241 PolarHBondContact OE1-NZ 3.25Å |
| 154 | N | 90.4 | Very high | 88.8 | Confident | 18 Ų | 18 | 41 Ų | 41 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -30.9 | -175 | 58.3 | 15.1 | 0 | 0 | 0 | 113.7 | G149 W150 S151 K156 A157 R158 Y234 | G149-N154 PolarHBondContact O-ND2 3.24Å; W150-N154 HydrophobicContact CE3-CB 4.37Å; W150-N154 HydrophobicContact CZ3-CB 4.25Å; S151-N154 PolarHBondContact N-OD1 3.03Å; S151-N154 PolarHBondContact O-N 2.71Å; S151-N154 PolarHBondContact O-OD1 2.9Å; S151-N154 PolarHBondContact OG-OD1 3.07Å; N154-K156 PolarHBondContact O-N 3.29Å; N154-A157 PolarHBondContact O-N 2.97Å; N154-R158 PolarHBondContact O-N 3.33Å; N154-Y234 HydrophobicContact CB-CD2 4.24Å; N154-Y234 HydrophobicContact CB-CE2 3.94Å; N154-Y234 WeakPolarHBondContact ND2-CD1 3.37Å; N154-Y234 WeakPolarHBondContact ND2-CD2 3.35Å; N154-Y234 WeakPolarHBondContact ND2-CE1 3.47Å |
| 155 | A | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -36.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S151 A157 R158 L159 L219 V222 | S151-A155 VanDerWaalsContact O-CB 3.25Å; S151-A155 WeakPolarHBondContact O-CB 3.15Å; S151-A155 PolarHBondContact O-N 3.33Å; S151-A155 VanDerWaalsContact O-N 3.1Å; A155-A157 VanDerWaalsContact C-N 3.3Å; A155-A157 PolarHBondContact O-N 3.41Å; A155-R158 PolarHBondContact O-N 2.9Å; A155-L159 WeakPolarHBondContact O-CB 3.15Å; A155-L159 PolarHBondContact O-N 2.98Å; A155-L219 HydrophobicContact CB-CB 4.17Å; A155-L219 HydrophobicContact CB-CD1 3.87Å; A155-V222 HydrophobicContact CB-CB 4.02Å; A155-V222 HydrophobicContact CB-CG1 4.28Å; A155-V222 HydrophobicContact CB-CG2 3.98Å; A155-V222 WeakPolarHBondContact O-CG2 3.24Å |
| 156 | K | 90.8 | Very high | 89.3 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.9 | -30 | -179.8 | -176 | 160.9 | -176 | 166.9 | 0 | 112.9 | N154 N160 S214 R215 C218 | N154-K156 PolarHBondContact O-N 3.29Å; K156-N160 PolarHBondContact O-ND2 2.84Å; K156-S214 PolarHBondContact NZ-OG 3.28Å; K156-R215 HydrophobicContact CB-CG 4.42Å; K156-R215 HydrophobicContact CD-CG 4Å; K156-C218 HydrophobicContact CB-CB 4.1Å |
| 157 | A | 90.6 | Very high | 89.4 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.6 | -52.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N154 A155 L159 N160 E161 | N154-A157 PolarHBondContact O-N 2.97Å; A155-A157 VanDerWaalsContact C-N 3.3Å; A155-A157 PolarHBondContact O-N 3.41Å; A157-L159 VanDerWaalsContact C-N 3.29Å; A157-L159 PolarHBondContact O-N 2.79Å; A157-N160 WeakPolarHBondContact O-CB 3.33Å; A157-N160 PolarHBondContact O-N 3.06Å; A157-E161 PolarHBondContact O-N 3.07Å; A157-E161 VanDerWaalsContact O-N 3.11Å |
| 158 | R | 92.4 | Very high | 89.1 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -36.9 | -178.2 | -165 | 70.9 | -174.8 | 113.2 | 6.3 | 113.3 | W150 N154 A155 E161 Y162 L231 E232 | W150-R158 HydrophobicContact CE3-CB 4.32Å; W150-R158 HydrophobicContact CE3-CG 4.47Å; W150-R158 HydrophobicContact CH2-CB 3.96Å; W150-R158 VanDerWaalsContact CH2-CD 3.49Å; W150-R158 HydrophobicContact CH2-CG 3.45Å; W150-R158 VanDerWaalsContact CH2-CG 3.45Å; W150-R158 HydrophobicContact CZ2-CG 3.97Å; W150-R158 HydrophobicContact CZ3-CB 3.66Å; W150-R158 HydrophobicContact CZ3-CG 3.71Å; N154-R158 PolarHBondContact O-N 3.33Å; A155-R158 PolarHBondContact O-N 2.9Å; R158-E161 WeakPolarHBondContact CD-OE2 3.46Å; R158-E161 IonicContact CZ-OE2 3.57Å; R158-E161 IonicContact NE-OE2 2.71Å; R158-E161 IonicContact NH1-OE2 3.53Å; R158-E161 PolarHBondContact NH1-OE2 2.93Å; R158-E161 WeakPolarHBondContact O-CB 3.3Å; R158-E161 PolarHBondContact O-N 3.43Å; R158-Y162 PolarHBondContact O-N 2.93Å; R158-L231 HydrophobicContact CG-CD1 4.26Å; R158-L231 HydrophobicContact CG-CD2 4.35Å; R158-E232 IonicContact CZ-OE1 3.4Å; R158-E232 IonicContact CZ-OE2 3.67Å; R158-E232 IonicContact NE-OE1 3.99Å; R158-E232 PolarHBondContact NE-OE1 3.42Å; R158-E232 IonicContact NH2-OE1 3.53Å; R158-E232 PolarHBondContact NH2-OE1 2.9Å; R158-E232 IonicContact NH2-OE2 3.88Å; R158-E232 PolarHBondContact NH2-OE2 3.22Å |
| 159 | L | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.9 | -166.1 | 63.7 | 0 | 0 | 0 | 112.4 | A155 A157 E161 Y162 L163 M190 V192 C218 L221 V222 L225 | A155-L159 WeakPolarHBondContact O-CB 3.15Å; A155-L159 PolarHBondContact O-N 2.98Å; A157-L159 VanDerWaalsContact C-N 3.29Å; A157-L159 PolarHBondContact O-N 2.79Å; L159-E161 VanDerWaalsContact C-N 3.34Å; L159-Y162 PolarHBondContact O-N 3.33Å; L159-L163 HydrophobicContact CG-CD1 4.22Å; L159-L163 WeakPolarHBondContact O-CB 3.34Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-L163 PolarHBondContact O-N 3.01Å; L159-M190 HydrophobicContact CD2-CE 3.5Å; L159-M190 VanDerWaalsContact CD2-CE 3.5Å; L159-M190 HydrophobicContact CD2-SD 4.44Å; L159-V192 HydrophobicContact CD1-CG2 4.36Å; L159-C218 HydrophobicContact CD2-CB 4.17Å; L159-L221 HydrophobicContact CD1-CB 4.3Å; L159-L221 HydrophobicContact CD2-CB 4.19Å; L159-L221 HydrophobicContact CD2-CD1 4.37Å; L159-V222 HydrophobicContact CB-CG2 3.8Å; L159-V222 HydrophobicContact CD1-CG2 4.08Å; L159-V222 HydrophobicContact CG-CG2 4.44Å; L159-L225 HydrophobicContact CD1-CD1 3.75Å |
| 160 | N | 91.1 | Very high | 87.4 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.9 | -69.6 | -16.3 | 0 | 0 | 0 | 111.1 | K156 A157 L163 Q164 | K156-N160 PolarHBondContact O-ND2 2.84Å; A157-N160 WeakPolarHBondContact O-CB 3.33Å; A157-N160 PolarHBondContact O-N 3.06Å; N160-L163 PolarHBondContact O-N 2.79Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 2.66Å |
| 161 | E | 91.1 | Very high | 86 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 173.9 | -65.7 | 164.7 | -158 | 0 | 0 | 111.8 | A157 R158 L159 L163 Q164 A165 | A157-E161 PolarHBondContact O-N 3.07Å; A157-E161 VanDerWaalsContact O-N 3.11Å; R158-E161 WeakPolarHBondContact CD-OE2 3.46Å; R158-E161 IonicContact CZ-OE2 3.57Å; R158-E161 IonicContact NE-OE2 2.71Å; R158-E161 IonicContact NH1-OE2 3.53Å; R158-E161 PolarHBondContact NH1-OE2 2.93Å; R158-E161 WeakPolarHBondContact O-CB 3.3Å; R158-E161 PolarHBondContact O-N 3.43Å; L159-E161 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 3.28Å; E161-Q164 PolarHBondContact O-N 3.01Å; E161-A165 VanDerWaalsContact O-CB 3.28Å; E161-A165 WeakPolarHBondContact O-CB 3.19Å; E161-A165 PolarHBondContact O-N 2.81Å |
| 162 | Y | 91.1 | Very high | 85 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 177.1 | 179.5 | -92.7 | 0 | 0 | 0 | 111.9 | R158 L159 A165 T166 V192 L193 K195 L225 E230 L231 | R158-Y162 PolarHBondContact O-N 2.93Å; L159-Y162 PolarHBondContact O-N 3.33Å; Y162-A165 PolarHBondContact O-N 3.31Å; Y162-T166 HydrophobicContact CD1-CG2 4.23Å; Y162-T166 HydrophobicContact CD2-CG2 4.17Å; Y162-T166 HydrophobicContact CE1-CG2 3.83Å; Y162-T166 HydrophobicContact CE2-CG2 3.78Å; Y162-T166 HydrophobicContact CG-CG2 4.39Å; Y162-T166 WeakPolarHBondContact O-CB 3.33Å; Y162-T166 WeakPolarHBondContact O-CG2 3.41Å; Y162-T166 PolarHBondContact O-N 3.18Å; Y162-T166 PolarHBondContact O-OG1 3.36Å; Y162-V192 HydrophobicContact CD1-CG1 4.23Å; Y162-V192 HydrophobicContact CE1-CG1 3.93Å; Y162-L193 PolarHBondContact OH-O 2.99Å; Y162-K195 PolarHBondContact OH-N 2.76Å; Y162-L225 HydrophobicContact CD1-CD1 3.81Å; Y162-L225 HydrophobicContact CE1-CD1 3.92Å; Y162-L225 HydrophobicContact CE1-CD2 3.88Å; Y162-L225 HydrophobicContact CE2-CD2 4.3Å; Y162-L225 HydrophobicContact CG-CD1 4.15Å; Y162-E230 HydrophobicContact CE2-CB 4Å; Y162-E230 PolarHBondContact OH-OE2 3.46Å; Y162-L231 HydrophobicContact CD2-CD2 3.77Å; Y162-L231 HydrophobicContact CD2-CG 4.25Å; Y162-L231 HydrophobicContact CG-CD2 4.4Å |
| 163 | L | 90.3 | Very high | 84.7 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.2 | -70.1 | 167.8 | 0 | 0 | 0 | 111.5 | L159 N160 E161 T166 R167 Q168 V170 V192 | L159-L163 HydrophobicContact CG-CD1 4.22Å; L159-L163 WeakPolarHBondContact O-CB 3.34Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-L163 PolarHBondContact O-N 3.01Å; N160-L163 PolarHBondContact O-N 2.79Å; E161-L163 PolarHBondContact O-N 3.28Å; L163-T166 PolarHBondContact O-OG1 2.71Å; L163-R167 PolarHBondContact O-N 2.74Å; L163-Q168 HydrophobicContact CD2-CB 3.64Å; L163-Q168 PolarHBondContact O-N 2.72Å; L163-V170 HydrophobicContact CD1-CG2 4.2Å; L163-V192 HydrophobicContact CD2-CG1 3.89Å; L163-V192 HydrophobicContact CD2-CG2 4.15Å |
| 164 | Q | 89.8 | Confident | 84.7 | Confident | 156 Ų | 156 | 73.5 Ų | 73.5 | 73% | 0.729 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.1 | -50.4 | 174.5 | -73.7 | 179.9 | 3.7 | 0 | 0 | 112 | N160 E161 T166 R167 | N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 2.66Å; E161-Q164 PolarHBondContact O-N 3.01Å; Q164-T166 PolarHBondContact O-N 3.06Å; Q164-R167 PolarHBondContact O-N 3.42Å; Q164-R167 VanDerWaalsContact O-N 3.09Å |
| 165 | A | 88.8 | Confident | 84.3 | Confident | 84 Ų | 84 | 76.2 Ų | 76.2 | 69% | 0.694 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | E161 Y162 R167 | E161-A165 VanDerWaalsContact O-CB 3.28Å; E161-A165 WeakPolarHBondContact O-CB 3.19Å; E161-A165 PolarHBondContact O-N 2.81Å; Y162-A165 PolarHBondContact O-N 3.31Å; A165-R167 VanDerWaalsContact C-N 3.27Å; A165-R167 PolarHBondContact O-N 2.99Å |
| 166 | T | 88.1 | Confident | 83.7 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -77.8 | -9.4 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 114 | Y162 L163 Q164 Q168 K195 | Y162-T166 HydrophobicContact CD1-CG2 4.23Å; Y162-T166 HydrophobicContact CD2-CG2 4.17Å; Y162-T166 HydrophobicContact CE1-CG2 3.83Å; Y162-T166 HydrophobicContact CE2-CG2 3.78Å; Y162-T166 HydrophobicContact CG-CG2 4.39Å; Y162-T166 WeakPolarHBondContact O-CB 3.33Å; Y162-T166 WeakPolarHBondContact O-CG2 3.41Å; Y162-T166 PolarHBondContact O-N 3.18Å; Y162-T166 PolarHBondContact O-OG1 3.36Å; L163-T166 PolarHBondContact O-OG1 2.71Å; Q164-T166 PolarHBondContact O-N 3.06Å; T166-Q168 VanDerWaalsContact C-N 3.34Å; T166-Q168 WeakPolarHBondContact OG1-CG 3.44Å; T166-Q168 PolarHBondContact OG1-NE2 3.47Å; T166-K195 HydrophobicContact CG2-CB 4.42Å; T166-K195 HydrophobicContact CG2-CD 3.93Å; T166-K195 PolarHBondContact O-NZ 3.17Å |
| 167 | R | 86.2 | Confident | 82.9 | Confident | 232 Ų | 232 | 74.3 Ų | 74.3 | 88% | 0.875 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 37.1 | -172.2 | -55.3 | -174.9 | -176.8 | 179.9 | 0.6 | 113.8 | L163 Q164 A165 | L163-R167 PolarHBondContact O-N 2.74Å; Q164-R167 PolarHBondContact O-N 3.42Å; Q164-R167 VanDerWaalsContact O-N 3.09Å; A165-R167 VanDerWaalsContact C-N 3.27Å; A165-R167 PolarHBondContact O-N 2.99Å |
| 168 | Q | 83.6 | Confident | 81.9 | Confident | 45 Ų | 45 | 72 Ų | 72 | 21% | 0.21 | 36% | 0.356 | C | S | . | . | trans | -86.7 | 141.5 | 169.9 | -68.7 | -178.9 | 68.2 | 0 | 0 | 109.9 | L163 T166 L193 | L163-Q168 HydrophobicContact CD2-CB 3.64Å; L163-Q168 PolarHBondContact O-N 2.72Å; T166-Q168 VanDerWaalsContact C-N 3.34Å; T166-Q168 WeakPolarHBondContact OG1-CG 3.44Å; T166-Q168 PolarHBondContact OG1-NE2 3.47Å; Q168-L193 PolarHBondContact NE2-O 2.94Å | ||
| 169 | Q | 72.8 | Confident | 80.4 | Confident | 185 Ų | 185 | 69.5 Ų | 69.5 | 86% | 0.864 | 35% | 0.348 | S | S | * | . | trans | -67.2 | 145.9 | 165.7 | -70.7 | -170.7 | -5.2 | 0 | 0 | 109.4 | G171 | Q169-G171 PolarHBondContact O-N 3.4Š| ||
| 170 | V | 63.8 | Low | 78.8 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | trans | -66.8 | 108.4 | 170.9 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | L163 Q172 | L163-V170 HydrophobicContact CD1-CG2 4.2Å; V170-Q172 PolarHBondContact O-N 3Å | ||
| 171 | G | 61.9 | Low | 77.2 | Confident | 27 Ų | 27 | 68 Ų | 68 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | trans | -56.5 | 135.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q169 V173 | Q169-G171 PolarHBondContact O-N 3.4Å; G171-V173 PolarHBondContact O-N 3.38Å; G171-V173 VanDerWaalsContact O-N 3.1Å | ||
| 172 | Q | 68.4 | Low | 75.6 | Confident | 191 Ų | 191 | 68.9 Ų | 68.9 | 89% | 0.893 | 34% | 0.344 | S | S | * | . | trans | -59.3 | 119.2 | 176.6 | -81.5 | -170.7 | -18.3 | 0 | 0 | 109.6 | V170 K174 | V170-Q172 PolarHBondContact O-N 3Å; Q172-K174 PolarHBondContact O-N 2.9Å | ||
| 173 | V | 79 | Confident | 74.2 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | trans | -66.8 | 105.4 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 108 | G171 Y175 A188 E189 M190 | G171-V173 PolarHBondContact O-N 3.38Å; G171-V173 VanDerWaalsContact O-N 3.1Å; V173-Y175 HydrophobicContact CB-CE2 4.02Å; V173-Y175 HydrophobicContact CG1-CD1 4.34Å; V173-Y175 HydrophobicContact CG1-CD2 4.36Å; V173-Y175 HydrophobicContact CG1-CE1 3.83Å; V173-Y175 HydrophobicContact CG1-CE2 3.86Å; V173-Y175 VanDerWaalsContact O-CD2 3.25Å; V173-Y175 WeakPolarHBondContact O-CD2 3.44Å; V173-Y175 WeakPolarHBondContact O-CE2 3.33Å; V173-Y175 PolarHBondContact O-N 2.97Å; V173-A188 HydrophobicContact CG1-CB 3.8Å; V173-E189 WeakPolarHBondContact CA-O 3.36Å; V173-M190 HydrophobicContact CG2-CE 4.47Å; V173-M190 HydrophobicContact CG2-SD 3.87Å | ||
| 174 | K | 84.7 | Confident | 73.2 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 121 | 174.8 | 172.5 | -178 | 164.9 | -137.6 | 0 | 107.7 | Q172 A188 E189 E766 | Q172-K174 PolarHBondContact O-N 2.9Å; K174-A188 CarbonylContact O-C 3.42Å; K174-A188 WeakPolarHBondContact O-CA 3.5Å; K174-E189 HydrophobicContact CB-CB 4.31Å; K174-E189 VanDerWaalsContact CD-OE2 3.31Å; K174-E189 WeakPolarHBondContact CD-OE2 3.47Å; K174-E189 VanDerWaalsContact CE-OE2 3.25Å; K174-E189 WeakPolarHBondContact CE-OE2 3.07Å; K174-E189 PolarHBondContact N-O 3.29Å; K174-E189 VanDerWaalsContact N-O 3.12Å; K174-E189 IonicContact NZ-OE2 2.71Å; K174-E189 PolarHBondContact NZ-OE2 3.3Å; K174-E189 PolarHBondContact O-N 2.86Å; K174-E766 IonicContact NZ-OE1 3.95Å; K174-E766 PolarHBondContact NZ-OE1 3.49Å |
| 175 | Y | 83 | Confident | 72.6 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.6 | 174.1 | -64.7 | -80.1 | 0 | 0 | 0 | 110.3 | V173 I187 A188 K210 S214 | V173-Y175 HydrophobicContact CB-CE2 4.02Å; V173-Y175 HydrophobicContact CG1-CD1 4.34Å; V173-Y175 HydrophobicContact CG1-CD2 4.36Å; V173-Y175 HydrophobicContact CG1-CE1 3.83Å; V173-Y175 HydrophobicContact CG1-CE2 3.86Å; V173-Y175 VanDerWaalsContact O-CD2 3.25Å; V173-Y175 WeakPolarHBondContact O-CD2 3.44Å; V173-Y175 WeakPolarHBondContact O-CE2 3.33Å; V173-Y175 PolarHBondContact O-N 2.97Å; Y175-I187 CarbonylContact C-O 3.52Å; Y175-I187 VanDerWaalsContact CA-O 3.29Å; Y175-I187 WeakPolarHBondContact CA-O 3.39Å; Y175-A188 HydrophobicContact CD1-CB 4.02Å; Y175-A188 HydrophobicContact CE1-CB 3.94Å; Y175-K210 HydrophobicContact CD1-CB 4.01Å; Y175-K210 HydrophobicContact CD1-CD 3.85Å; Y175-K210 HydrophobicContact CD1-CG 3.83Å; Y175-K210 HydrophobicContact CD2-CD 4.1Å; Y175-K210 HydrophobicContact CE1-CB 3.73Å; Y175-K210 HydrophobicContact CE1-CD 4.17Å; Y175-K210 HydrophobicContact CE1-CG 4.09Å; Y175-K210 WeakPolarHBondContact CE1-O 3.24Å; Y175-K210 HydrophobicContact CE2-CD 4.4Å; Y175-K210 HydrophobicContact CG-CD 3.8Å; Y175-K210 HydrophobicContact CG-CG 4.28Å; Y175-S214 WeakPolarHBondContact OH-CB 3.34Å |
| 176 | T | 78.1 | Confident | 72.3 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.5 | 171.9 | -51.8 | 0 | 0 | 0 | 0 | 109.4 | V178 Y186 I187 E585 | T176-V178 WeakPolarHBondContact O-CG2 3.15Å; T176-Y186 WeakPolarHBondContact O-CA 3.46Å; T176-I187 PolarHBondContact N-O 3.04Å; T176-I187 PolarHBondContact O-N 3.39Å; T176-E585 WeakPolarHBondContact CA-OE1 3.37Å |
| 177 | S | 74.3 | Confident | 72 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134 | 179.9 | 90.8 | 0 | 0 | 0 | 0 | 112.3 | E585 K610 | S177-E585 VanDerWaalsContact CB-CD 3.45Å; S177-E585 VanDerWaalsContact CB-OE2 3.31Å; S177-E585 WeakPolarHBondContact CB-OE2 3.47Å; S177-E585 PolarHBondContact N-OE1 2.63Å; S177-E585 VanDerWaalsContact OG-CD 3.24Å; S177-E585 PolarHBondContact OG-OE2 3.26Å; S177-K610 VanDerWaalsContact C-NZ 3.3Å; S177-K610 PolarHBondContact O-NZ 3.21Å; S177-K610 PolarHBondContact OG-NZ 3.14Å |
| 178 | V | 68.9 | Low | 72.1 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 144 | -164.5 | -120.8 | 0 | 0 | 0 | 0 | 111.9 | T176 R184 S185 I187 S729 | T176-V178 WeakPolarHBondContact O-CG2 3.15Å; V178-R184 CarbonylContact O-C 3.26Å; V178-S185 PolarHBondContact N-O 3.4Å; V178-S185 WeakPolarHBondContact O-CA 3.42Å; V178-S185 PolarHBondContact O-N 3.02Å; V178-S185 PolarHBondContact O-OG 3.22Å; V178-I187 HydrophobicContact CG2-CB 4.35Å; V178-I187 HydrophobicContact CG2-CD1 3.91Å; V178-I187 HydrophobicContact CG2-CG1 3.9Å; V178-S729 WeakPolarHBondContact CB-OG 3.48Å; V178-S729 WeakPolarHBondContact CG1-OG 3.23Å |
| 179 | G | 61 | Low | 72.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 81.4 | 153.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K610 T730 | G179-K610 WeakPolarHBondContact O-CD 3.24Å; G179-K610 PolarHBondContact O-NZ 2.76Å; G179-T730 WeakPolarHBondContact CA-O 3.43Å; G179-T730 PolarHBondContact N-O 2.92Å |
| 180 | P | 58.2 | Low | 73.1 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | trans | -66.3 | 163.9 | 175.2 | 32 | -37.4 | 0 | 0 | 0 | 111 | H182 S183 R184 K610 | P180-H182 PolarHBondContact O-N 2.99Å; P180-H182 VanDerWaalsContact O-N 3.11Å; P180-S183 CarbonylContact O-C 3.58Å; P180-S183 WeakPolarHBondContact O-CA 3.49Å; P180-S183 PolarHBondContact O-N 3.03Å; P180-R184 PolarHBondContact O-N 3.23Å; P180-K610 HydrophobicContact CB-CB 4.37Å | ||
| 181 | D | 57.5 | Low | 74.3 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -61.7 | -31 | -167.5 | -52.1 | -49.9 | 0 | 0 | 0 | 114 | S183 R184 | D181-S183 PolarHBondContact O-N 3.46Å; D181-R184 IonicContact OD1-CZ 3.19Å; D181-R184 IonicContact OD1-NE 2.67Å; D181-R184 PolarHBondContact OD1-NE 3.2Å; D181-R184 IonicContact OD1-NH2 3.91Å; D181-R184 PolarHBondContact OD1-NH2 2.77Å |
| 182 | H | 57.8 | Low | 75.6 | Confident | 109 Ų | 109 | 39.7 Ų | 39.7 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -74.4 | -4.7 | 175.4 | 64.1 | -101.5 | 0 | 0 | 0 | 114.1 | P180 E611 Q1034 | P180-H182 PolarHBondContact O-N 2.99Å; P180-H182 VanDerWaalsContact O-N 3.11Å; H182-E611 IonicContact CE1-OE1 3.34Å; H182-E611 IonicContact ND1-OE1 2.67Å; H182-E611 PolarHBondContact ND1-OE1 3.14Å; H182-Q1034 PolarHBondContact O-NE2 3.45Å |
| 183 | S | 62.7 | Low | 76.5 | Confident | 49 Ų | 49 | 34.1 Ų | 34.1 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -150.6 | 48.8 | 171.1 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | P180 D181 | P180-S183 CarbonylContact O-C 3.58Å; P180-S183 WeakPolarHBondContact O-CA 3.49Å; P180-S183 PolarHBondContact O-N 3.03Å; D181-S183 PolarHBondContact O-N 3.46Å |
| 184 | R | 69.5 | Low | 76.9 | Confident | 52 Ų | 52 | 32.5 Ų | 32.5 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | trans | -66.5 | 144.6 | -178.6 | -163 | -179.1 | -82.7 | -173.9 | -2.8 | 109.7 | V178 P180 D181 E578 | V178-R184 CarbonylContact O-C 3.26Å; P180-R184 PolarHBondContact O-N 3.23Å; D181-R184 IonicContact OD1-CZ 3.19Å; D181-R184 IonicContact OD1-NE 2.67Å; D181-R184 PolarHBondContact OD1-NE 3.2Å; D181-R184 IonicContact OD1-NH2 3.91Å; D181-R184 PolarHBondContact OD1-NH2 2.77Å; R184-E578 IonicContact CZ-OE1 3.87Å; R184-E578 IonicContact NH1-OE1 2.81Å; R184-E578 IonicContact NH2-OE1 2.7Å; R184-E578 PolarHBondContact NH2-OE1 3.35Å | ||
| 185 | S | 76.6 | Confident | 76.8 | Confident | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 172.2 | 179.1 | 60 | 0 | 0 | 0 | 0 | 109.5 | V178 G207 | V178-S185 PolarHBondContact N-O 3.4Å; V178-S185 WeakPolarHBondContact O-CA 3.42Å; V178-S185 PolarHBondContact O-N 3.02Å; V178-S185 PolarHBondContact O-OG 3.22Å; S185-G207 WeakPolarHBondContact CB-O 3.43Å |
| 186 | Y | 81.6 | Confident | 76.8 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143 | -175.1 | -60.4 | -87.1 | 0 | 0 | 0 | 111.6 | T176 A206 G207 K210 A213 | T176-Y186 WeakPolarHBondContact O-CA 3.46Å; Y186-A206 WeakPolarHBondContact O-CA 3.17Å; Y186-G207 PolarHBondContact N-O 3.14Å; Y186-G207 PolarHBondContact O-N 2.66Å; Y186-K210 HydrophobicContact CD1-CD 4.28Å; Y186-K210 HydrophobicContact CD1-CG 3.59Å; Y186-K210 HydrophobicContact CD2-CG 3.94Å; Y186-K210 HydrophobicContact CE1-CD 4.39Å; Y186-K210 HydrophobicContact CE1-CG 3.94Å; Y186-K210 HydrophobicContact CE2-CG 4.27Å; Y186-K210 HydrophobicContact CG-CG 3.59Å; Y186-A213 WeakPolarHBondContact O-CB 3.31Å |
| 187 | I | 82.4 | Confident | 76.9 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.9 | 161.7 | -73.3 | 162.9 | 0 | 0 | 0 | 107.8 | Y175 T176 V178 E189 R204 E205 A206 | Y175-I187 CarbonylContact C-O 3.52Å; Y175-I187 VanDerWaalsContact CA-O 3.29Å; Y175-I187 WeakPolarHBondContact CA-O 3.39Å; T176-I187 PolarHBondContact N-O 3.04Å; T176-I187 PolarHBondContact O-N 3.39Å; V178-I187 HydrophobicContact CG2-CB 4.35Å; V178-I187 HydrophobicContact CG2-CD1 3.91Å; V178-I187 HydrophobicContact CG2-CG1 3.9Å; I187-E189 HydrophobicContact CG2-CG 4.2Å; I187-R204 HydrophobicContact CG2-CG 3.59Å; I187-E205 CarbonylContact C-O 3.43Å; I187-E205 VanDerWaalsContact CA-O 3.28Å; I187-E205 WeakPolarHBondContact CA-O 3.46Å; I187-A206 HydrophobicContact CG1-CB 4.16Å |
| 188 | A | 87.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V173 K174 Y175 R204 E205 A213 C217 | V173-A188 HydrophobicContact CG1-CB 3.8Å; K174-A188 CarbonylContact O-C 3.42Å; K174-A188 WeakPolarHBondContact O-CA 3.5Å; Y175-A188 HydrophobicContact CD1-CB 4.02Å; Y175-A188 HydrophobicContact CE1-CB 3.94Å; A188-R204 WeakPolarHBondContact O-CA 3.47Å; A188-E205 PolarHBondContact N-O 3.21Å; A188-E205 PolarHBondContact O-N 2.84Å; A188-A213 HydrophobicContact CB-CB 3.85Å; A188-C217 HydrophobicContact CB-CB 4.08Å |
| 189 | E | 87.8 | Confident | 77.9 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.3 | 178.2 | -64.4 | 178.9 | 100.7 | 0 | 0 | 111.2 | V173 K174 I187 Y202 A203 R204 | V173-E189 WeakPolarHBondContact CA-O 3.36Å; K174-E189 HydrophobicContact CB-CB 4.31Å; K174-E189 VanDerWaalsContact CD-OE2 3.31Å; K174-E189 WeakPolarHBondContact CD-OE2 3.47Å; K174-E189 VanDerWaalsContact CE-OE2 3.25Å; K174-E189 WeakPolarHBondContact CE-OE2 3.07Å; K174-E189 PolarHBondContact N-O 3.29Å; K174-E189 VanDerWaalsContact N-O 3.12Å; K174-E189 IonicContact NZ-OE2 2.71Å; K174-E189 PolarHBondContact NZ-OE2 3.3Å; K174-E189 PolarHBondContact O-N 2.86Å; I187-E189 HydrophobicContact CG2-CG 4.2Å; E189-Y202 HydrophobicContact CB-CE2 4.44Å; E189-Y202 PolarHBondContact OE1-OH 3.41Å; E189-A203 WeakPolarHBondContact CA-O 3.21Å; E189-R204 HydrophobicContact CG-CB 3.93Å; E189-R204 HydrophobicContact CG-CG 3.68Å; E189-R204 WeakPolarHBondContact OE1-CD 3.21Å; E189-R204 IonicContact OE1-CZ 3.13Å; E189-R204 IonicContact OE1-NE 3.32Å; E189-R204 IonicContact OE1-NH1 3.47Å; E189-R204 PolarHBondContact OE1-NH1 2.56Å; E189-R204 IonicContact OE2-NH1 2.76Å; E189-R204 PolarHBondContact OE2-NH1 3.06Å |
| 190 | M | 89.6 | Confident | 79.1 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 150.7 | 177.5 | -175.1 | 161.2 | 50.2 | 0 | 0 | 111.6 | L159 V173 A203 L221 | L159-M190 HydrophobicContact CD2-CE 3.5Å; L159-M190 VanDerWaalsContact CD2-CE 3.5Å; L159-M190 HydrophobicContact CD2-SD 4.44Å; V173-M190 HydrophobicContact CG2-CE 4.47Å; V173-M190 HydrophobicContact CG2-SD 3.87Å; M190-A203 PolarHBondContact N-O 3.29Å; M190-A203 VanDerWaalsContact N-O 3.11Å; M190-A203 PolarHBondContact O-N 3.28Å; M190-L221 HydrophobicContact CB-CD1 3.77Å; M190-L221 HydrophobicContact CE-CD1 3.67Å; M190-L221 HydrophobicContact CG-CD1 3.8Å; M190-L221 HydrophobicContact SD-CD1 4.47Å |
| 191 | T | 89 | Confident | 80.5 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.7 | 175.6 | 51.3 | 0 | 0 | 0 | 0 | 111 | T200 L201 Y202 | T191-T200 HydrophobicContact CG2-CG2 4.19Å; T191-L201 CarbonylContact C-O 3.29Å; T191-L201 VanDerWaalsContact CA-O 3.24Å; T191-L201 WeakPolarHBondContact CA-O 3.2Å; T191-Y202 HydrophobicContact CG2-CD2 3.85Å |
| 192 | V | 89.2 | Confident | 81.9 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 138.9 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | L159 Y162 L163 A194 L201 L221 L225 | L159-V192 HydrophobicContact CD1-CG2 4.36Å; Y162-V192 HydrophobicContact CD1-CG1 4.23Å; Y162-V192 HydrophobicContact CE1-CG1 3.93Å; L163-V192 HydrophobicContact CD2-CG1 3.89Å; L163-V192 HydrophobicContact CD2-CG2 4.15Å; V192-A194 PolarHBondContact O-N 2.77Å; V192-L201 PolarHBondContact N-O 3.3Å; V192-L201 PolarHBondContact O-N 3.03Å; V192-L221 HydrophobicContact CB-CD2 4.28Å; V192-L221 HydrophobicContact CG2-CD1 4.03Å; V192-L221 HydrophobicContact CG2-CD2 4.3Å; V192-L225 HydrophobicContact CG1-CD1 4.5Å |
| 193 | L | 88.9 | Confident | 83.3 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.2 | 175.6 | -178.3 | 64.5 | 0 | 0 | 0 | 110 | Y162 Q168 K195 | Y162-L193 PolarHBondContact OH-O 2.99Å; Q168-L193 PolarHBondContact NE2-O 2.94Å; L193-K195 PolarHBondContact O-N 2.99Å |
| 194 | A | 87.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 112 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | V192 L197 R198 K199 L201 L225 E230 | V192-A194 PolarHBondContact O-N 2.77Å; A194-L197 HydrophobicContact CB-CB 4.04Å; A194-L197 HydrophobicContact CB-CD1 4.45Å; A194-R198 VanDerWaalsContact O-CA 3.31Å; A194-R198 WeakPolarHBondContact O-CA 3.37Å; A194-R198 PolarHBondContact O-N 3.17Å; A194-K199 WeakPolarHBondContact CB-O 3.3Å; A194-K199 PolarHBondContact N-O 2.96Å; A194-K199 PolarHBondContact O-N 2.88Å; A194-L201 HydrophobicContact CB-CD1 3.97Å; A194-L201 HydrophobicContact CB-CG 4.07Å; A194-L225 HydrophobicContact CB-CD2 4.15Å; A194-E230 HydrophobicContact CB-CG 3.96Å; A194-E230 WeakPolarHBondContact CB-OE1 3.29Å |
| 195 | K | 82.7 | Confident | 85.2 | Confident | 109 Ų | 109 | 55.8 Ų | 55.8 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -33.5 | -161 | -165.3 | 169.9 | -175.1 | 174.8 | 0 | 113.2 | Y162 T166 L193 E230 | Y162-K195 PolarHBondContact OH-N 2.76Å; T166-K195 HydrophobicContact CG2-CB 4.42Å; T166-K195 HydrophobicContact CG2-CD 3.93Å; T166-K195 PolarHBondContact O-NZ 3.17Å; L193-K195 PolarHBondContact O-N 2.99Å; K195-E230 VanDerWaalsContact N-CD 3.32Å; K195-E230 PolarHBondContact N-OE1 3.16Å; K195-E230 PolarHBondContact N-OE2 2.95Å |
| 196 | N | 82.3 | Confident | 85.4 | Confident | 128 Ų | 128 | 56.2 Ų | 56.2 | 68% | 0.684 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -42.4 | 175.3 | -57.3 | -30.1 | 0 | 0 | 0 | 110.5 | R198 E230 | N196-R198 VanDerWaalsContact C-N 3.28Å; N196-R198 PolarHBondContact O-N 3.33Å; N196-E230 WeakPolarHBondContact CA-OE1 3.24Å; N196-E230 VanDerWaalsContact CB-OE1 3.29Å; N196-E230 WeakPolarHBondContact CB-OE1 3.34Å; N196-E230 PolarHBondContact N-OE1 2.8Å |
| 197 | L | 79.6 | Confident | 85.4 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.6 | 174.8 | -73 | -174.8 | 0 | 0 | 0 | 114.3 | A194 K199 A228 E230 | A194-L197 HydrophobicContact CB-CB 4.04Å; A194-L197 HydrophobicContact CB-CD1 4.45Å; L197-K199 HydrophobicContact CB-CB 4.35Å; L197-K199 PolarHBondContact O-N 3.25Å; L197-A228 HydrophobicContact CD1-CB 3.5Å; L197-A228 VanDerWaalsContact CD1-CB 3.5Å; L197-A228 HydrophobicContact CG-CB 4.41Å; L197-E230 PolarHBondContact N-OE1 2.92Å |
| 198 | R | 83.3 | Confident | 85.3 | Confident | 219 Ų | 219 | 55.5 Ų | 55.5 | 83% | 0.826 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.3 | -170.9 | -55.4 | -177.2 | -178.8 | -177.1 | 0.9 | 113.2 | A194 N196 | A194-R198 VanDerWaalsContact O-CA 3.31Å; A194-R198 WeakPolarHBondContact O-CA 3.37Å; A194-R198 PolarHBondContact O-N 3.17Å; N196-R198 VanDerWaalsContact C-N 3.28Å; N196-R198 PolarHBondContact O-N 3.33Å |
| 199 | K | 82 | Confident | 85.1 | Confident | 126 Ų | 126 | 57.1 Ų | 57.1 | 55% | 0.548 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.7 | 179.6 | -76.4 | -172.2 | 174.6 | -173 | 0 | 111 | A194 L197 L201 | A194-K199 WeakPolarHBondContact CB-O 3.3Å; A194-K199 PolarHBondContact N-O 2.96Å; A194-K199 PolarHBondContact O-N 2.88Å; L197-K199 HydrophobicContact CB-CB 4.35Å; L197-K199 PolarHBondContact O-N 3.25Å; K199-L201 PolarHBondContact O-N 3Å |
| 200 | T | 86.4 | Confident | 85 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 59% | 0.589 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.5 | 169.6 | -51.6 | 0 | 0 | 0 | 0 | 109.2 | T191 | T191-T200 HydrophobicContact CG2-CG2 4.19Å |
| 201 | L | 87.5 | Confident | 84.9 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 152.2 | 168.7 | -58.5 | 176.4 | 0 | 0 | 0 | 109.6 | T191 V192 A194 K199 L221 Q224 L225 | T191-L201 CarbonylContact C-O 3.29Å; T191-L201 VanDerWaalsContact CA-O 3.24Å; T191-L201 WeakPolarHBondContact CA-O 3.2Å; V192-L201 PolarHBondContact N-O 3.3Å; V192-L201 PolarHBondContact O-N 3.03Å; A194-L201 HydrophobicContact CB-CD1 3.97Å; A194-L201 HydrophobicContact CB-CG 4.07Å; K199-L201 PolarHBondContact O-N 3Å; L201-L221 HydrophobicContact CB-CD2 3.8Å; L201-Q224 HydrophobicContact CD1-CB 3.92Å; L201-Q224 HydrophobicContact CD2-CB 4.47Å; L201-L225 HydrophobicContact CD1-CD2 3.64Å; L201-L225 HydrophobicContact CD1-CG 3.8Å |
| 202 | Y | 86.7 | Confident | 84.8 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.5 | -177.4 | 167.9 | -102.7 | 0 | 0 | 0 | 110 | E189 T191 R204 Q224 L774 | E189-Y202 HydrophobicContact CB-CE2 4.44Å; E189-Y202 PolarHBondContact OE1-OH 3.41Å; T191-Y202 HydrophobicContact CG2-CD2 3.85Å; Y202-R204 HydrophobicContact CE1-CB 3.99Å; Y202-R204 WeakPolarHBondContact OH-CB 3.03Å; Y202-R204 VanDerWaalsContact OH-CD 3.3Å; Y202-R204 WeakPolarHBondContact OH-CD 3.39Å; Y202-Q224 PolarHBondContact O-NE2 3.17Å; Y202-L774 HydrophobicContact CE1-CD1 4.17Å |
| 203 | A | 87.2 | Confident | 84.7 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E189 M190 L221 | E189-A203 WeakPolarHBondContact CA-O 3.21Å; M190-A203 PolarHBondContact N-O 3.29Å; M190-A203 VanDerWaalsContact N-O 3.11Å; M190-A203 PolarHBondContact O-N 3.28Å; A203-L221 HydrophobicContact CB-CD1 4.2Å; A203-L221 HydrophobicContact CB-CD2 4.45Å; A203-L221 HydrophobicContact CB-CG 3.8Å |
| 204 | R | 85.9 | Confident | 84.7 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 106.1 | 174 | 177.3 | 166.8 | -179.5 | 138 | -12.8 | 108.2 | I187 A188 E189 Y202 E766 T770 | I187-R204 HydrophobicContact CG2-CG 3.59Å; A188-R204 WeakPolarHBondContact O-CA 3.47Å; E189-R204 HydrophobicContact CG-CB 3.93Å; E189-R204 HydrophobicContact CG-CG 3.68Å; E189-R204 WeakPolarHBondContact OE1-CD 3.21Å; E189-R204 IonicContact OE1-CZ 3.13Å; E189-R204 IonicContact OE1-NE 3.32Å; E189-R204 IonicContact OE1-NH1 3.47Å; E189-R204 PolarHBondContact OE1-NH1 2.56Å; E189-R204 IonicContact OE2-NH1 2.76Å; E189-R204 PolarHBondContact OE2-NH1 3.06Å; Y202-R204 HydrophobicContact CE1-CB 3.99Å; Y202-R204 WeakPolarHBondContact OH-CB 3.03Å; Y202-R204 VanDerWaalsContact OH-CD 3.3Å; Y202-R204 WeakPolarHBondContact OH-CD 3.39Å; R204-E766 IonicContact CZ-OE2 3.15Å; R204-E766 IonicContact NH1-OE1 2.75Å; R204-E766 PolarHBondContact NH1-OE1 3.09Å; R204-E766 IonicContact NH1-OE2 2.78Å; R204-E766 PolarHBondContact NH1-OE2 3.49Å; R204-E766 IonicContact NH2-OE1 3.68Å; R204-E766 IonicContact NH2-OE2 2.77Å; R204-E766 PolarHBondContact NH2-OE2 3.34Å; R204-T770 PolarHBondContact NE-OG1 3.3Å; R204-T770 PolarHBondContact NH1-OG1 2.82Å; R204-T770 PolarHBondContact NH2-OG1 3.26Å; R204-T770 VanDerWaalsContact NH2-OG1 3.13Å |
| 205 | E | 85.2 | Confident | 84.9 | Confident | 48 Ų | 48 | 59 Ų | 59 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.6 | -169.8 | -87.4 | -68.8 | 177.3 | 0 | 0 | 112.6 | I187 A188 A216 C217 | I187-E205 CarbonylContact C-O 3.43Å; I187-E205 VanDerWaalsContact CA-O 3.28Å; I187-E205 WeakPolarHBondContact CA-O 3.46Å; A188-E205 PolarHBondContact N-O 3.21Å; A188-E205 PolarHBondContact O-N 2.84Å; E205-A216 HydrophobicContact CB-CB 3.73Å; E205-A216 HydrophobicContact CG-CB 4Å; E205-C217 HydrophobicContact CB-CB 4.09Å |
| 206 | A | 82 | Confident | 85.2 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y186 I187 L718 | Y186-A206 WeakPolarHBondContact O-CA 3.17Å; I187-A206 HydrophobicContact CG1-CB 4.16Å; A206-L718 HydrophobicContact CB-CD1 4.14Å |
| 207 | G | 81.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 167.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S185 Y186 | S185-G207 WeakPolarHBondContact CB-O 3.43Å; Y186-G207 PolarHBondContact N-O 3.14Å; Y186-G207 PolarHBondContact O-N 2.66Å |
| 208 | S | 80.2 | Confident | 86.3 | Confident | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -62.3 | -41.7 | 174.9 | 57 | 0 | 0 | 0 | 0 | 111.8 | E138 | E138-S208 WeakPolarHBondContact OE1-CB 3.35Å; E138-S208 PolarHBondContact OE1-N 3.17Å; E138-S208 WeakPolarHBondContact OE2-CB 3.41Å; E138-S208 PolarHBondContact OE2-N 2.94Å; E138-S208 PolarHBondContact OE2-OG 3.42Å |
| 209 | N | 83.9 | Confident | 86.7 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -121.2 | 164.3 | 177.1 | 73.8 | 43.9 | 0 | 0 | 0 | 111.5 | E135 Q211 L212 A213 | E135-N209 PolarHBondContact OE1-ND2 3.34Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.18Å; N209-Q211 WeakPolarHBondContact OD1-CA 3.48Å; N209-Q211 WeakPolarHBondContact OD1-CB 3.43Å; N209-Q211 PolarHBondContact OD1-N 3.29Å; N209-L212 PolarHBondContact O-N 2.9Å; N209-L212 PolarHBondContact OD1-N 3.39Å; N209-A213 PolarHBondContact O-N 3.35Å; N209-A213 VanDerWaalsContact O-N 3.14Å |
| 210 | K | 84.3 | Confident | 87.1 | Confident | 48 Ų | 48 | 28 Ų | 28 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -32.1 | -179.9 | -71.2 | -164.4 | -178.1 | -165.1 | 0 | 113.5 | Y175 Y186 S214 N583 | Y175-K210 HydrophobicContact CD1-CB 4.01Å; Y175-K210 HydrophobicContact CD1-CD 3.85Å; Y175-K210 HydrophobicContact CD1-CG 3.83Å; Y175-K210 HydrophobicContact CD2-CD 4.1Å; Y175-K210 HydrophobicContact CE1-CB 3.73Å; Y175-K210 HydrophobicContact CE1-CD 4.17Å; Y175-K210 HydrophobicContact CE1-CG 4.09Å; Y175-K210 WeakPolarHBondContact CE1-O 3.24Å; Y175-K210 HydrophobicContact CE2-CD 4.4Å; Y175-K210 HydrophobicContact CG-CD 3.8Å; Y175-K210 HydrophobicContact CG-CG 4.28Å; Y186-K210 HydrophobicContact CD1-CD 4.28Å; Y186-K210 HydrophobicContact CD1-CG 3.59Å; Y186-K210 HydrophobicContact CD2-CG 3.94Å; Y186-K210 HydrophobicContact CE1-CD 4.39Å; Y186-K210 HydrophobicContact CE1-CG 3.94Å; Y186-K210 HydrophobicContact CE2-CG 4.27Å; Y186-K210 HydrophobicContact CG-CG 3.59Å; K210-S214 VanDerWaalsContact O-CB 3.22Å; K210-S214 WeakPolarHBondContact O-CB 3.39Å; K210-S214 PolarHBondContact O-N 2.89Å; K210-N583 VanDerWaalsContact CE-O 3.27Å; K210-N583 WeakPolarHBondContact CE-O 3.17Å; K210-N583 PolarHBondContact NZ-O 3.21Å |
| 211 | Q | 87.8 | Confident | 87.4 | Confident | 127 Ų | 127 | 23.4 Ų | 23.4 | 59% | 0.593 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -69 | -41.3 | -177.8 | -176.8 | 178.5 | -2 | 0 | 0 | 111.6 | N209 R215 | N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.18Å; N209-Q211 WeakPolarHBondContact OD1-CA 3.48Å; N209-Q211 WeakPolarHBondContact OD1-CB 3.43Å; N209-Q211 PolarHBondContact OD1-N 3.29Å; Q211-R215 WeakPolarHBondContact O-CB 3.21Å; Q211-R215 WeakPolarHBondContact O-CG 3.45Å; Q211-R215 PolarHBondContact O-N 2.88Å |
| 212 | L | 86.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 22.7 Ų | 22.7 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.4 | -44.2 | 176.2 | -70 | 170.4 | 0 | 0 | 0 | 111.5 | E135 E138 E139 M152 N209 S214 R215 A216 | E135-L212 HydrophobicContact CB-CD1 3.89Å; E135-L212 HydrophobicContact CG-CD1 3.84Å; E138-L212 HydrophobicContact CB-CD1 4.02Å; E138-L212 VanDerWaalsContact OE2-CD1 3.32Å; E138-L212 WeakPolarHBondContact OE2-CD1 3.17Å; E139-L212 HydrophobicContact CG-CD2 3.71Å; M152-L212 HydrophobicContact CE-CD2 4.01Å; N209-L212 PolarHBondContact O-N 2.9Å; N209-L212 PolarHBondContact OD1-N 3.39Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.31Å; L212-R215 PolarHBondContact O-N 2.98Å; L212-A216 WeakPolarHBondContact O-CB 3.49Å; L212-A216 PolarHBondContact O-N 2.82Å |
| 213 | A | 86.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y186 A188 N209 A216 C217 | Y186-A213 WeakPolarHBondContact O-CB 3.31Å; A188-A213 HydrophobicContact CB-CB 3.85Å; N209-A213 PolarHBondContact O-N 3.35Å; N209-A213 VanDerWaalsContact O-N 3.14Å; A213-A216 PolarHBondContact O-N 3.22Å; A213-C217 WeakPolarHBondContact O-CB 3.45Å; A213-C217 PolarHBondContact O-N 2.75Å |
| 214 | S | 90.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61 | -44 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 112.7 | K156 Y175 K210 L212 C217 C218 | K156-S214 PolarHBondContact NZ-OG 3.28Å; Y175-S214 WeakPolarHBondContact OH-CB 3.34Å; K210-S214 VanDerWaalsContact O-CB 3.22Å; K210-S214 WeakPolarHBondContact O-CB 3.39Å; K210-S214 PolarHBondContact O-N 2.89Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.31Å; S214-C217 PolarHBondContact O-N 2.98Å; S214-C218 PolarHBondContact O-N 2.9Å; S214-C218 PolarHBondContact O-SG 3.03Å |
| 215 | R | 91.2 | Very high | 88.6 | Confident | 37 Ų | 37 | 17.2 Ų | 17.2 | 14% | 0.14 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | -179.9 | -77.7 | 168.1 | 68.5 | -161.7 | -3.6 | 112.2 | E139 M152 K156 Q211 L212 C218 L219 | E139-R215 IonicContact OE1-CZ 2.76Å; E139-R215 IonicContact OE1-NH1 2.72Å; E139-R215 PolarHBondContact OE1-NH1 3.47Å; E139-R215 IonicContact OE1-NH2 3.52Å; E139-R215 PolarHBondContact OE1-NH2 2.69Å; M152-R215 HydrophobicContact CE-CB 3.63Å; M152-R215 VanDerWaalsContact O-CZ 3.28Å; M152-R215 PolarHBondContact O-NE 3.39Å; M152-R215 PolarHBondContact O-NH2 2.77Å; M152-R215 HydrophobicContact SD-CB 4.07Å; K156-R215 HydrophobicContact CB-CG 4.42Å; K156-R215 HydrophobicContact CD-CG 4Å; Q211-R215 WeakPolarHBondContact O-CB 3.21Å; Q211-R215 WeakPolarHBondContact O-CG 3.45Å; Q211-R215 PolarHBondContact O-N 2.88Å; L212-R215 PolarHBondContact O-N 2.98Å; R215-C218 WeakPolarHBondContact O-CB 3.46Å; R215-C218 PolarHBondContact O-N 2.86Å; R215-L219 WeakPolarHBondContact O-CB 3.14Å; R215-L219 PolarHBondContact O-N 3.45Å |
| 216 | A | 89 | Confident | 89 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M152 E205 L212 A213 C218 L219 S220 | M152-A216 HydrophobicContact CE-CB 4.31Å; M152-A216 VanDerWaalsContact SD-CA 3.59Å; M152-A216 HydrophobicContact SD-CB 4.01Å; M152-A216 PolarHBondContact SD-N 2.9Å; E205-A216 HydrophobicContact CB-CB 3.73Å; E205-A216 HydrophobicContact CG-CB 4Å; L212-A216 WeakPolarHBondContact O-CB 3.49Å; L212-A216 PolarHBondContact O-N 2.82Å; A213-A216 PolarHBondContact O-N 3.22Å; A216-C218 PolarHBondContact O-N 2.82Å; A216-L219 WeakPolarHBondContact O-CB 3.43Å; A216-L219 PolarHBondContact O-N 3.11Å; A216-L219 VanDerWaalsContact O-N 3.08Å; A216-S220 PolarHBondContact O-N 3.34Å |
| 217 | C | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | 175.2 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | A188 E205 A213 S214 L221 | A188-C217 HydrophobicContact CB-CB 4.08Å; E205-C217 HydrophobicContact CB-CB 4.09Å; A213-C217 WeakPolarHBondContact O-CB 3.45Å; A213-C217 PolarHBondContact O-N 2.75Å; S214-C217 PolarHBondContact O-N 2.98Å; C217-L221 PolarHBondContact O-N 3.45Å |
| 218 | C | 93.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 170.1 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | K156 L159 S214 R215 A216 L221 V222 | K156-C218 HydrophobicContact CB-CB 4.1Å; L159-C218 HydrophobicContact CD2-CB 4.17Å; S214-C218 PolarHBondContact O-N 2.9Å; S214-C218 PolarHBondContact O-SG 3.03Å; R215-C218 WeakPolarHBondContact O-CB 3.46Å; R215-C218 PolarHBondContact O-N 2.86Å; A216-C218 PolarHBondContact O-N 2.82Å; C218-L221 PolarHBondContact O-N 3.19Å; C218-V222 WeakPolarHBondContact O-CG2 3.45Å; C218-V222 PolarHBondContact O-N 3.47Å |
| 219 | L | 93.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -53 | -178.4 | 177 | 57.6 | 0 | 0 | 0 | 111.8 | W150 M152 A155 R215 A216 L221 V222 R223 | W150-L219 HydrophobicContact CB-CD1 4.3Å; M152-L219 HydrophobicContact CG-CD2 3.98Å; M152-L219 HydrophobicContact SD-CB 4.46Å; M152-L219 HydrophobicContact SD-CD2 4.02Å; A155-L219 HydrophobicContact CB-CB 4.17Å; A155-L219 HydrophobicContact CB-CD1 3.87Å; R215-L219 WeakPolarHBondContact O-CB 3.14Å; R215-L219 PolarHBondContact O-N 3.45Å; A216-L219 WeakPolarHBondContact O-CB 3.43Å; A216-L219 PolarHBondContact O-N 3.11Å; A216-L219 VanDerWaalsContact O-N 3.08Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.4Å; L219-V222 PolarHBondContact O-N 2.94Å; L219-V222 VanDerWaalsContact O-N 3.15Å; L219-R223 HydrophobicContact CD1-CG 3.91Å; L219-R223 HydrophobicContact CG-CG 4.34Å; L219-R223 VanDerWaalsContact O-CG 3.28Å; L219-R223 WeakPolarHBondContact O-CG 3.37Å; L219-R223 PolarHBondContact O-N 2.88Å |
| 220 | S | 90.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | 179 | -180 | 0 | 0 | 0 | 0 | 111.8 | A216 V222 R223 Q224 D807 | A216-S220 PolarHBondContact O-N 3.34Å; S220-V222 PolarHBondContact O-N 3.38Å; S220-R223 PolarHBondContact O-N 2.83Å; S220-Q224 WeakPolarHBondContact O-CB 3.46Å; S220-Q224 VanDerWaalsContact O-CG 3.26Å; S220-Q224 WeakPolarHBondContact O-CG 3.31Å; S220-Q224 PolarHBondContact O-N 3.24Å; S220-Q224 PolarHBondContact OG-NE2 3.13Å; S220-D807 WeakPolarHBondContact CA-OD2 3.28Å; S220-D807 WeakPolarHBondContact CB-OD2 3.39Å; S220-D807 PolarHBondContact OG-OD1 2.83Å; S220-D807 PolarHBondContact OG-OD2 2.9Å |
| 221 | L | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 176 | -77.8 | 162.8 | 0 | 0 | 0 | 113 | L159 M190 V192 L201 A203 C217 C218 L219 Q224 L225 | L159-L221 HydrophobicContact CD1-CB 4.3Å; L159-L221 HydrophobicContact CD2-CB 4.19Å; L159-L221 HydrophobicContact CD2-CD1 4.37Å; M190-L221 HydrophobicContact CB-CD1 3.77Å; M190-L221 HydrophobicContact CE-CD1 3.67Å; M190-L221 HydrophobicContact CG-CD1 3.8Å; M190-L221 HydrophobicContact SD-CD1 4.47Å; V192-L221 HydrophobicContact CB-CD2 4.28Å; V192-L221 HydrophobicContact CG2-CD1 4.03Å; V192-L221 HydrophobicContact CG2-CD2 4.3Å; L201-L221 HydrophobicContact CB-CD2 3.8Å; A203-L221 HydrophobicContact CB-CD1 4.2Å; A203-L221 HydrophobicContact CB-CD2 4.45Å; A203-L221 HydrophobicContact CB-CG 3.8Å; C217-L221 PolarHBondContact O-N 3.45Å; C218-L221 PolarHBondContact O-N 3.19Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-L221 PolarHBondContact O-N 3.4Å; L221-Q224 PolarHBondContact O-N 2.95Å; L221-L225 WeakPolarHBondContact O-CB 3.43Å; L221-L225 VanDerWaalsContact O-CG 3.24Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 2.96Å |
| 222 | V | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | W150 A155 L159 C218 L219 S220 L225 F226 L231 | W150-V222 HydrophobicContact CB-CG1 3.9Å; W150-V222 HydrophobicContact CD2-CG1 3.5Å; W150-V222 HydrophobicContact CE3-CG1 3.9Å; W150-V222 HydrophobicContact CG-CG1 3.46Å; W150-V222 VanDerWaalsContact CG-CG1 3.46Å; A155-V222 HydrophobicContact CB-CB 4.02Å; A155-V222 HydrophobicContact CB-CG1 4.28Å; A155-V222 HydrophobicContact CB-CG2 3.98Å; A155-V222 WeakPolarHBondContact O-CG2 3.24Å; L159-V222 HydrophobicContact CB-CG2 3.8Å; L159-V222 HydrophobicContact CD1-CG2 4.08Å; L159-V222 HydrophobicContact CG-CG2 4.44Å; C218-V222 WeakPolarHBondContact O-CG2 3.45Å; C218-V222 PolarHBondContact O-N 3.47Å; L219-V222 PolarHBondContact O-N 2.94Å; L219-V222 VanDerWaalsContact O-N 3.15Å; S220-V222 PolarHBondContact O-N 3.38Å; V222-L225 PolarHBondContact O-N 3.47Å; V222-F226 WeakPolarHBondContact O-CB 3.35Å; V222-F226 PolarHBondContact O-N 3.09Å; V222-L231 HydrophobicContact CB-CD1 4.46Å; V222-L231 HydrophobicContact CG1-CD1 3.96Å; V222-L231 HydrophobicContact CG2-CD1 4.43Å |
| 223 | R | 93.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 176.4 | -66.4 | 177.1 | 162.5 | -153.6 | -5.2 | 112.4 | D141 T143 H147 W150 L219 S220 F226 H227 D807 E811 | D141-R223 IonicContact OD1-CZ 3.56Å; D141-R223 IonicContact OD1-NH2 2.74Å; D141-R223 PolarHBondContact OD1-NH2 2.89Å; D141-R223 IonicContact OD2-CZ 3.73Å; D141-R223 IonicContact OD2-NH2 3.39Å; D141-R223 PolarHBondContact OD2-NH2 3.19Å; T143-R223 PolarHBondContact OG1-NH1 2.82Å; T143-R223 PolarHBondContact OG1-NH2 2.86Å; H147-R223 HydrophobicContact CB-CB 4.2Å; H147-R223 HydrophobicContact CB-CG 3.65Å; H147-R223 PolarHBondContact CD2-NH1 2.92Å; H147-R223 VanDerWaalsContact CD2-NH1 3.27Å; H147-R223 PolarHBondContact NE2-NH1 2.84Å; W150-R223 HydrophobicContact CB-CG 4.47Å; L219-R223 HydrophobicContact CD1-CG 3.91Å; L219-R223 HydrophobicContact CG-CG 4.34Å; L219-R223 VanDerWaalsContact O-CG 3.28Å; L219-R223 WeakPolarHBondContact O-CG 3.37Å; L219-R223 PolarHBondContact O-N 2.88Å; S220-R223 PolarHBondContact O-N 2.83Å; R223-F226 PolarHBondContact O-N 3.24Å; R223-H227 WeakPolarHBondContact O-CB 3.44Å; R223-H227 PolarHBondContact O-CD2 3.4Å; R223-H227 PolarHBondContact O-N 3.17Å; R223-D807 HydrophobicContact CB-CB 3.83Å; R223-E811 IonicContact NH1-OE1 3.32Å; R223-E811 PolarHBondContact NH1-OE1 3.48Å |
| 224 | Q | 91.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 174.1 | -70.6 | 178.5 | 56.2 | 0 | 0 | 111.6 | L201 Y202 S220 L221 A228 P805 D807 | L201-Q224 HydrophobicContact CD1-CB 3.92Å; L201-Q224 HydrophobicContact CD2-CB 4.47Å; Y202-Q224 PolarHBondContact O-NE2 3.17Å; S220-Q224 WeakPolarHBondContact O-CB 3.46Å; S220-Q224 VanDerWaalsContact O-CG 3.26Å; S220-Q224 WeakPolarHBondContact O-CG 3.31Å; S220-Q224 PolarHBondContact O-N 3.24Å; S220-Q224 PolarHBondContact OG-NE2 3.13Å; L221-Q224 PolarHBondContact O-N 2.95Å; Q224-A228 WeakPolarHBondContact O-CB 3.36Å; Q224-A228 PolarHBondContact O-N 2.86Å; Q224-P805 HydrophobicContact CG-CB 4.36Å; Q224-D807 VanDerWaalsContact CG-OD1 3.31Å; Q224-D807 WeakPolarHBondContact CG-OD1 3.44Å |
| 225 | L | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 174.1 | -75.5 | 168.6 | 0 | 0 | 0 | 112.2 | L159 Y162 V192 A194 L201 L221 V222 A228 G229 E230 L231 | L159-L225 HydrophobicContact CD1-CD1 3.75Å; Y162-L225 HydrophobicContact CD1-CD1 3.81Å; Y162-L225 HydrophobicContact CE1-CD1 3.92Å; Y162-L225 HydrophobicContact CE1-CD2 3.88Å; Y162-L225 HydrophobicContact CE2-CD2 4.3Å; Y162-L225 HydrophobicContact CG-CD1 4.15Å; V192-L225 HydrophobicContact CG1-CD1 4.5Å; A194-L225 HydrophobicContact CB-CD2 4.15Å; L201-L225 HydrophobicContact CD1-CD2 3.64Å; L201-L225 HydrophobicContact CD1-CG 3.8Å; L221-L225 WeakPolarHBondContact O-CB 3.43Å; L221-L225 VanDerWaalsContact O-CG 3.24Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 2.96Å; V222-L225 PolarHBondContact O-N 3.47Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.02Å; L225-G229 PolarHBondContact O-N 3.1Å; L225-E230 HydrophobicContact CB-CB 4.14Å; L225-E230 HydrophobicContact CD2-CB 3.67Å; L225-E230 HydrophobicContact CD2-CG 3.87Å; L225-E230 WeakPolarHBondContact O-CB 3.32Å; L225-E230 PolarHBondContact O-N 3.06Å; L225-L231 HydrophobicContact CB-CD1 3.71Å; L225-L231 HydrophobicContact CB-CG 3.97Å; L225-L231 HydrophobicContact CD1-CD1 4.1Å; L225-L231 PolarHBondContact O-N 2.89Å |
| 226 | F | 93.8 | Very high | 90.6 | Very high | 47 Ų | 47 | 30 Ų | 30 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -52.7 | 172.1 | 170.7 | -106.2 | 0 | 0 | 0 | 111.4 | V222 R223 A228 G229 E232 A233 | V222-F226 WeakPolarHBondContact O-CB 3.35Å; V222-F226 PolarHBondContact O-N 3.09Å; R223-F226 PolarHBondContact O-N 3.24Å; F226-A228 PolarHBondContact O-N 2.92Å; F226-A228 VanDerWaalsContact O-N 3.13Å; F226-G229 PolarHBondContact O-N 3.46Å; F226-E232 WeakPolarHBondContact CD2-O 3.44Å; F226-A233 HydrophobicContact CE2-CB 3.91Å; F226-A233 HydrophobicContact CZ-CB 4.48Å |
| 227 | H | 90.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.8 | 177.9 | -70.5 | -45.3 | 0 | 0 | 0 | 114.7 | L146 H147 R223 R794 L806 I810 | L146-H227 PolarHBondContact O-CE1 3.45Å; H147-H227 AromaticContact CE1-NE2 3.72Å; H147-H227 AromaticContact CG-NE2 3.77Å; H147-H227 AromaticContact ND1-CD2 3.48Å; H147-H227 PolarHBondContact ND1-CD2 2.94Å; H147-H227 AromaticContact ND1-NE2 3.01Å; H147-H227 PolarHBondContact ND1-NE2 2.86Å; R223-H227 WeakPolarHBondContact O-CB 3.44Å; R223-H227 PolarHBondContact O-CD2 3.4Å; R223-H227 PolarHBondContact O-N 3.17Å; H227-R794 PolarHBondContact O-NH2 3.08Å; H227-L806 HydrophobicContact CB-CB 4.37Å; H227-I810 HydrophobicContact CB-CD1 3.83Å; H227-I810 VanDerWaalsContact CG-CD1 3.41Å |
| 228 | A | 87.3 | Confident | 88.3 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L197 Q224 L225 F226 E230 | L197-A228 HydrophobicContact CD1-CB 3.5Å; L197-A228 VanDerWaalsContact CD1-CB 3.5Å; L197-A228 HydrophobicContact CG-CB 4.41Å; Q224-A228 WeakPolarHBondContact O-CB 3.36Å; Q224-A228 PolarHBondContact O-N 2.86Å; L225-A228 WeakPolarHBondContact O-CB 3.45Å; L225-A228 PolarHBondContact O-N 3.02Å; F226-A228 PolarHBondContact O-N 2.92Å; F226-A228 VanDerWaalsContact O-N 3.13Å; A228-E230 HydrophobicContact CB-CG 3.99Å |
| 229 | G | 90 | Very high | 86.7 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 62% | 0.619 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 20.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L225 F226 | L225-G229 PolarHBondContact O-N 3.1Å; F226-G229 PolarHBondContact O-N 3.46Å |
| 230 | E | 90.9 | Very high | 84.8 | Confident | 23 Ų | 23 | 61 Ų | 61 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -92.1 | -16.2 | 176.4 | -61 | -90.8 | 170.2 | 0 | 0 | 112.4 | Y162 A194 K195 N196 L197 L225 A228 | Y162-E230 HydrophobicContact CE2-CB 4Å; Y162-E230 PolarHBondContact OH-OE2 3.46Å; A194-E230 HydrophobicContact CB-CG 3.96Å; A194-E230 WeakPolarHBondContact CB-OE1 3.29Å; K195-E230 VanDerWaalsContact N-CD 3.32Å; K195-E230 PolarHBondContact N-OE1 3.16Å; K195-E230 PolarHBondContact N-OE2 2.95Å; N196-E230 WeakPolarHBondContact CA-OE1 3.24Å; N196-E230 VanDerWaalsContact CB-OE1 3.29Å; N196-E230 WeakPolarHBondContact CB-OE1 3.34Å; N196-E230 PolarHBondContact N-OE1 2.8Å; L197-E230 PolarHBondContact N-OE1 2.92Å; L225-E230 HydrophobicContact CB-CB 4.14Å; L225-E230 HydrophobicContact CD2-CB 3.67Å; L225-E230 HydrophobicContact CD2-CG 3.87Å; L225-E230 WeakPolarHBondContact O-CB 3.32Å; L225-E230 PolarHBondContact O-N 3.06Å; A228-E230 HydrophobicContact CB-CG 3.99Å |
| 231 | L | 91.8 | Very high | 83.1 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -136.9 | 147.2 | 178 | -71.2 | 177.1 | 0 | 0 | 0 | 111.2 | R158 Y162 V222 L225 | R158-L231 HydrophobicContact CG-CD1 4.26Å; R158-L231 HydrophobicContact CG-CD2 4.35Å; Y162-L231 HydrophobicContact CD2-CD2 3.77Å; Y162-L231 HydrophobicContact CD2-CG 4.25Å; Y162-L231 HydrophobicContact CG-CD2 4.4Å; V222-L231 HydrophobicContact CB-CD1 4.46Å; V222-L231 HydrophobicContact CG1-CD1 3.96Å; V222-L231 HydrophobicContact CG2-CD1 4.43Å; L225-L231 HydrophobicContact CB-CD1 3.71Å; L225-L231 HydrophobicContact CB-CG 3.97Å; L225-L231 HydrophobicContact CD1-CD1 4.1Å; L225-L231 PolarHBondContact O-N 2.89Å |
| 232 | E | 92.1 | Very high | 81.1 | Confident | 97 Ų | 97 | 75.1 Ų | 75.1 | 45% | 0.453 | 38% | 0.375 | S | S | . | . | trans | -74 | 174.2 | 169.6 | 70.9 | -60.9 | 140.3 | 0 | 0 | 113.6 | W150 R158 F226 | W150-E232 WeakPolarHBondContact CZ2-O 3.4Å; W150-E232 PolarHBondContact NE1-O 2.89Å; R158-E232 IonicContact CZ-OE1 3.4Å; R158-E232 IonicContact CZ-OE2 3.67Å; R158-E232 IonicContact NE-OE1 3.99Å; R158-E232 PolarHBondContact NE-OE1 3.42Å; R158-E232 IonicContact NH2-OE1 3.53Å; R158-E232 PolarHBondContact NH2-OE1 2.9Å; R158-E232 IonicContact NH2-OE2 3.88Å; R158-E232 PolarHBondContact NH2-OE2 3.22Å; F226-E232 WeakPolarHBondContact CD2-O 3.44Å | ||
| 233 | A | 90.6 | Very high | 79.4 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | trans | -77.3 | 146.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G148 F226 T235 | G148-A233 CarbonylContact O-C 3.58Å; G148-A233 WeakPolarHBondContact O-CA 3.42Å; F226-A233 HydrophobicContact CE2-CB 3.91Å; F226-A233 HydrophobicContact CZ-CB 4.48Å; A233-T235 PolarHBondContact O-N 3.27Å | ||
| 234 | Y | 90 | Very high | 78 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 35% | 0.345 | 42% | 0.416 | S | S | . | . | trans | -68.3 | 122.3 | 175.1 | -178.6 | -108.9 | 0 | 0 | 0 | 111.4 | G148 W150 N154 G236 | G148-Y234 PolarHBondContact O-N 3Å; W150-Y234 HydrophobicContact CE3-CD2 4.3Å; W150-Y234 HydrophobicContact CE3-CG 4.42Å; W150-Y234 AromaticContact CH2-CD2 3.77Å; W150-Y234 HydrophobicContact CH2-CD2 3.77Å; W150-Y234 HydrophobicContact CH2-CG 4.31Å; W150-Y234 AromaticContact CZ3-CD2 3.58Å; W150-Y234 HydrophobicContact CZ3-CD2 3.58Å; W150-Y234 HydrophobicContact CZ3-CG 4.11Å; N154-Y234 HydrophobicContact CB-CD2 4.24Å; N154-Y234 HydrophobicContact CB-CE2 3.94Å; N154-Y234 WeakPolarHBondContact ND2-CD1 3.37Å; N154-Y234 WeakPolarHBondContact ND2-CD2 3.35Å; N154-Y234 WeakPolarHBondContact ND2-CE1 3.47Å; Y234-G236 WeakPolarHBondContact CE1-O 3.21Å | ||
| 235 | T | 84.7 | Confident | 76.9 | Confident | 144 Ų | 144 | 90.7 Ų | 90.7 | 88% | 0.883 | 45% | 0.454 | S | S | * | . | trans | -100.6 | -0.7 | -175.1 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | A233 | A233-T235 PolarHBondContact O-N 3.27Š| ||
| 236 | G | 79.3 | Confident | 76.4 | Confident | 31 Ų | 31 | 91.2 Ų | 91.2 | 32% | 0.32 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -82.9 | 157.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y234 K238 | Y234-G236 WeakPolarHBondContact CE1-O 3.21Å; G236-K238 PolarHBondContact O-N 2.87Å |
| 237 | E | 67.7 | Low | 76 | Confident | 185 Ų | 185 | 92.2 Ų | 92.2 | 86% | 0.864 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 129.4 | 174.9 | -66.5 | -170.9 | 143.8 | 0 | 0 | 111.9 | R239 | E237-R239 PolarHBondContact O-N 3.22Š|
| 238 | K | 64.9 | Low | 76 | Confident | 92 Ų | 92 | 93.3 Ų | 93.3 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 118.7 | 172 | -61.8 | -169.6 | -172.4 | -173.1 | 0 | 109.8 | S144 D145 G236 K240 | S144-K238 PolarHBondContact OG-NZ 3.38Å; D145-K238 WeakPolarHBondContact OD1-CE 3.32Å; D145-K238 IonicContact OD1-NZ 3.66Å; D145-K238 PolarHBondContact OD1-NZ 2.88Å; D145-K238 IonicContact OD2-NZ 3.5Å; D145-K238 PolarHBondContact OD2-NZ 2.88Å; G236-K238 PolarHBondContact O-N 2.87Å; K238-K240 PolarHBondContact O-N 3.35Å |
| 239 | R | 57.8 | Low | 76.1 | Confident | 216 Ų | 216 | 94.6 Ų | 94.6 | 82% | 0.815 | 49% | 0.486 | S | S | * | . | trans | -66.1 | 97.2 | 172.7 | -73 | -177.2 | 169.1 | -168.9 | -3.7 | 110.9 | E237 K241 | E237-R239 PolarHBondContact O-N 3.22Å; R239-K241 PolarHBondContact O-N 3.1Å; R239-K241 VanDerWaalsContact O-N 3.09Å | ||
| 240 | K | 55.2 | Low | 76.2 | Confident | 167 Ų | 167 | 95.7 Ų | 95.7 | 73% | 0.726 | 48% | 0.478 | S | S | * | . | trans | -62.7 | 109.9 | 163.7 | -68.8 | -164 | 178 | -172.2 | 0 | 108.3 | K238 D1074 | K238-K240 PolarHBondContact O-N 3.35Å; K240-D1074 IonicContact NZ-OD2 3.76Å; K240-D1074 PolarHBondContact NZ-OD2 3.47Å | ||
| 241 | K | 54.7 | Low | 76.2 | Confident | 92 Ų | 92 | 95 Ų | 95 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | trans | -63.7 | 151 | 172.2 | -79.5 | 170.2 | 176 | 152.7 | 0 | 109 | E139 E153 R239 H243 | E139-K241 IonicContact OE2-NZ 3.49Å; E139-K241 PolarHBondContact OE2-NZ 2.66Å; E153-K241 WeakPolarHBondContact OE1-CE 3.5Å; E153-K241 IonicContact OE1-NZ 3.78Å; E153-K241 PolarHBondContact OE1-NZ 3.25Å; R239-K241 PolarHBondContact O-N 3.1Å; R239-K241 VanDerWaalsContact O-N 3.09Å; K241-H243 PolarHBondContact O-CD2 2.77Å; K241-H243 PolarHBondContact O-N 2.99Å; K241-H243 VanDerWaalsContact O-N 3.1Å | ||
| 242 | K | 49.4 | Very low | 76.1 | Confident | 210 Ų | 210 | 97.6 Ų | 97.6 | 91% | 0.913 | 49% | 0.489 | S | S | * | . | trans | -75.1 | 98.8 | 167.4 | -78.5 | -161.6 | 171.9 | -163.7 | 0 | 108.7 | ||||
| 243 | H | 58.5 | Low | 76.1 | Confident | 100 Ų | 100 | 93.1 Ų | 93.1 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | trans | -74.8 | 170 | 176 | -67.6 | -87.7 | 0 | 0 | 0 | 111.3 | K241 E245 E1001 | K241-H243 PolarHBondContact O-CD2 2.77Å; K241-H243 PolarHBondContact O-N 2.99Å; K241-H243 VanDerWaalsContact O-N 3.1Å; H243-E245 PolarHBondContact O-N 3.07Å; H243-E1001 PolarHBondContact CE1-O 2.84Å; H243-E1001 PolarHBondContact ND1-O 3.14Å | ||
| 244 | S | 63.6 | Low | 76.2 | Confident | 61 Ų | 61 | 93.7 Ų | 93.7 | 43% | 0.427 | 47% | 0.465 | S | S | . | . | trans | -73.7 | 108.3 | 171.7 | -61.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 245 | E | 69.6 | Low | 76.2 | Confident | 180 Ų | 180 | 92 Ų | 92 | 84% | 0.841 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 135.7 | -177.5 | -68.9 | 174.7 | 179.7 | 0 | 0 | 111.5 | H243 | H243-E245 PolarHBondContact O-N 3.07Š|
| 246 | V | 83.4 | Confident | 76.5 | Confident | 12 Ų | 12 | 92 Ų | 92 | 7% | 0.073 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 137.7 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | V248 F990 L998 W1075 P1077 | V246-V248 PolarHBondContact O-N 3.13Å; V246-F990 HydrophobicContact CG1-CD1 4.1Å; V246-F990 HydrophobicContact CG1-CD2 3.5Å; V246-F990 HydrophobicContact CG1-CE1 4.12Å; V246-F990 HydrophobicContact CG1-CE2 3.5Å; V246-F990 HydrophobicContact CG1-CG 3.8Å; V246-F990 HydrophobicContact CG1-CZ 3.84Å; V246-F990 HydrophobicContact CG2-CG 4.4Å; V246-L998 HydrophobicContact CG2-CD1 4.32Å; V246-W1075 HydrophobicContact CG2-CE3 3.7Å; V246-W1075 HydrophobicContact CG2-CZ3 3.88Å; V246-P1077 VanDerWaalsContact O-CG 3.31Å; V246-P1077 WeakPolarHBondContact O-CG 3.37Å |
| 247 | A | 85.2 | Confident | 77.2 | Confident | 68 Ų | 68 | 91 Ų | 91 | 56% | 0.562 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 134.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H249 F990 | A247-H249 PolarHBondContact O-N 3.09Å; A247-F990 HydrophobicContact CB-CZ 4.46Å |
| 248 | V | 88.5 | Confident | 78.4 | Confident | 55 Ų | 55 | 83.5 Ų | 83.5 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 125.6 | 178.4 | -171 | 0 | 0 | 0 | 0 | 110.2 | V246 I1069 P1077 R1079 | V246-V248 PolarHBondContact O-N 3.13Å; V248-I1069 HydrophobicContact CG1-CD1 4.29Å; V248-I1069 HydrophobicContact CG1-CG1 4.36Å; V248-I1069 HydrophobicContact CG2-CD1 4.18Å; V248-P1077 WeakPolarHBondContact CA-O 3.47Å; V248-P1077 HydrophobicContact CB-CG 4.47Å; V248-P1077 HydrophobicContact CG1-CB 4.42Å; V248-P1077 HydrophobicContact CG2-CB 4.09Å; V248-P1077 HydrophobicContact CG2-CG 4.02Å; V248-R1079 HydrophobicContact CG1-CB 3.72Å |
| 249 | H | 89.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 85 Ų | 85 | 22% | 0.218 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.9 | -178.3 | -170.5 | 77.9 | 0 | 0 | 0 | 110.6 | A247 F1024 P1077 F1078 R1079 | A247-H249 PolarHBondContact O-N 3.09Å; H249-F1024 HydrophobicContact CB-CE2 4.38Å; H249-F1024 HydrophobicContact CB-CZ 4.06Å; H249-F1024 AromaticContact CD2-CE2 3.76Å; H249-F1024 AromaticContact CG-CE2 3.97Å; H249-P1077 PolarHBondContact N-O 3.19Å; H249-P1077 VanDerWaalsContact N-O 3.08Å; H249-F1078 HydrophobicContact CB-CD1 4.25Å; H249-F1078 CarbonylContact O-C 3.6Å; H249-F1078 VanDerWaalsContact O-CA 3.3Å; H249-F1078 WeakPolarHBondContact O-CA 3.25Å; H249-R1079 PolarHBondContact O-N 2.74Å |
| 250 | D | 91.6 | Very high | 81.5 | Confident | 84 Ų | 84 | 77.2 Ų | 77.2 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.2 | -178.6 | -67.3 | -71.8 | 0 | 0 | 0 | 112 | R1079 | D250-R1079 VanDerWaalsContact CG-NH1 3.31Å; D250-R1079 WeakPolarHBondContact OD1-CB 3.32Å; D250-R1079 VanDerWaalsContact OD1-CD 3.3Å; D250-R1079 WeakPolarHBondContact OD1-CD 3.32Å; D250-R1079 IonicContact OD1-CZ 3.21Å; D250-R1079 IonicContact OD1-NE 3.2Å; D250-R1079 IonicContact OD1-NH1 3.35Å; D250-R1079 PolarHBondContact OD1-NH1 2.93Å; D250-R1079 IonicContact OD2-NH1 2.72Å; D250-R1079 PolarHBondContact OD2-NH1 2.84Å |
| 251 | V | 91.3 | Very high | 83.4 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | trans | -127.9 | 107.1 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | P1046 F1078 R1079 M1080 L1132 | V251-P1046 HydrophobicContact CG1-CB 4.41Å; V251-P1046 HydrophobicContact CG2-CB 3.71Å; V251-P1046 HydrophobicContact CG2-CG 4.16Å; V251-F1078 HydrophobicContact CG2-CB 3.98Å; V251-F1078 HydrophobicContact CG2-CD1 3.7Å; V251-F1078 HydrophobicContact CG2-CE1 4.45Å; V251-F1078 HydrophobicContact CG2-CG 4.02Å; V251-R1079 PolarHBondContact N-O 3.09Å; V251-M1080 HydrophobicContact CB-CB 4.22Å; V251-M1080 HydrophobicContact CB-CE 4.38Å; V251-M1080 HydrophobicContact CB-SD 4.37Å; V251-M1080 HydrophobicContact CG1-CE 3.98Å; V251-M1080 HydrophobicContact CG1-SD 4.48Å; V251-M1080 WeakPolarHBondContact O-CB 3.45Å; V251-L1132 HydrophobicContact CG1-CD1 4.37Å; V251-L1132 HydrophobicContact CG1-CD2 3.73Å | ||
| 252 | N | 91.1 | Very high | 85.3 | Confident | 69 Ų | 69 | 65.9 Ų | 65.9 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | trans | -124.3 | 104.2 | -176.3 | -173.3 | -3.5 | 0 | 0 | 0 | 110.6 | L1132 K1133 | N252-L1132 WeakPolarHBondContact O-CA 3.48Å; N252-K1133 HydrophobicContact CB-CB 4.43Å; N252-K1133 PolarHBondContact O-N 3.12Å | ||
| 253 | L | 91.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 144.5 | -174.4 | -169.3 | 65.1 | 0 | 0 | 0 | 111.6 | S255 V257 E258 I1047 T1084 I1088 L1126 A1131 K1133 | L253-S255 PolarHBondContact O-N 2.75Å; L253-V257 HydrophobicContact CD1-CB 4.34Å; L253-V257 HydrophobicContact CD1-CG1 4.11Å; L253-V257 HydrophobicContact CG-CB 4.49Å; L253-E258 HydrophobicContact CD2-CB 3.69Å; L253-E258 HydrophobicContact CD2-CG 4.04Å; L253-E258 HydrophobicContact CG-CB 4.3Å; L253-I1047 HydrophobicContact CD1-CD1 3.65Å; L253-T1084 HydrophobicContact CB-CG2 3.55Å; L253-T1084 HydrophobicContact CD2-CG2 3.68Å; L253-T1084 HydrophobicContact CG-CG2 4.26Å; L253-I1088 HydrophobicContact CD2-CD1 4.49Å; L253-L1126 HydrophobicContact CD1-CD2 3.9Å; L253-L1126 HydrophobicContact CD2-CD2 4.31Å; L253-A1131 CarbonylContact C-O 3.52Å; L253-A1131 WeakPolarHBondContact CA-O 3.43Å; L253-A1131 HydrophobicContact CD1-CB 4.38Å; L253-A1131 WeakPolarHBondContact CD1-O 3.36Å; L253-K1133 WeakPolarHBondContact O-CE 3.4Å; L253-K1133 PolarHBondContact O-NZ 3.35Å |
| 254 | N | 92.4 | Very high | 89.2 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | trans | -65.9 | 125.5 | 171.3 | -174.3 | -26.6 | 0 | 0 | 0 | 109.5 | K256 V257 E258 E1130 A1131 | N254-K256 VanDerWaalsContact C-N 3.26Å; N254-K256 PolarHBondContact O-N 3.38Å; N254-K256 PolarHBondContact OD1-N 3.49Å; N254-V257 HydrophobicContact CB-CB 4.36Å; N254-V257 HydrophobicContact CB-CG2 4.01Å; N254-V257 WeakPolarHBondContact O-CA 3.35Å; N254-V257 WeakPolarHBondContact O-CB 3.48Å; N254-V257 PolarHBondContact O-N 2.86Å; N254-E258 PolarHBondContact O-N 2.88Å; N254-E1130 PolarHBondContact ND2-O 3.24Å; N254-E1130 VanDerWaalsContact ND2-O 3.14Å; N254-A1131 WeakPolarHBondContact CB-O 3.28Å; N254-A1131 PolarHBondContact N-O 3.41Å | ||
| 255 | S | 90.2 | Very high | 90.6 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -35.8 | -169.9 | -57 | 0 | 0 | 0 | 0 | 112.8 | L253 V257 E258 E259 K1133 | L253-S255 PolarHBondContact O-N 2.75Å; S255-V257 VanDerWaalsContact C-N 3.3Å; S255-V257 PolarHBondContact O-N 2.87Å; S255-E258 WeakPolarHBondContact O-CB 3.41Å; S255-E258 PolarHBondContact O-N 2.86Å; S255-E258 VanDerWaalsContact O-N 3.15Å; S255-E259 VanDerWaalsContact O-CG 3.29Å; S255-E259 WeakPolarHBondContact O-CG 3.47Å; S255-E259 PolarHBondContact O-N 2.85Å; S255-K1133 PolarHBondContact OG-NZ 3.21Å |
| 256 | K | 91.6 | Very high | 91.7 | Very high | 143 Ų | 143 | 50.5 Ų | 50.5 | 62% | 0.622 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.9 | -32 | 175.2 | -174.3 | 176 | -179.5 | -179.8 | 0 | 113.1 | N254 N260 | N254-K256 VanDerWaalsContact C-N 3.26Å; N254-K256 PolarHBondContact O-N 3.38Å; N254-K256 PolarHBondContact OD1-N 3.49Å; K256-N260 PolarHBondContact O-N 3.47Å; K256-N260 PolarHBondContact O-ND2 2.9Å |
| 257 | V | 92.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.6 | -33.6 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | L253 N254 S255 L261 Q1125 L1126 | L253-V257 HydrophobicContact CD1-CB 4.34Å; L253-V257 HydrophobicContact CD1-CG1 4.11Å; L253-V257 HydrophobicContact CG-CB 4.49Å; N254-V257 HydrophobicContact CB-CB 4.36Å; N254-V257 HydrophobicContact CB-CG2 4.01Å; N254-V257 WeakPolarHBondContact O-CA 3.35Å; N254-V257 WeakPolarHBondContact O-CB 3.48Å; N254-V257 PolarHBondContact O-N 2.86Å; S255-V257 VanDerWaalsContact C-N 3.3Å; S255-V257 PolarHBondContact O-N 2.87Å; V257-L261 VanDerWaalsContact O-CB 3.26Å; V257-L261 WeakPolarHBondContact O-CB 3.37Å; V257-L261 PolarHBondContact O-N 3.47Å; V257-Q1125 HydrophobicContact CG1-CB 3.92Å; V257-Q1125 HydrophobicContact CG2-CB 4.22Å; V257-L1126 HydrophobicContact CG1-CD2 3.74Å; V257-L1126 HydrophobicContact CG1-CG 4.1Å |
| 258 | E | 93.2 | Very high | 92.4 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 173.2 | -164.9 | 166.4 | -170.4 | 0 | 0 | 112.9 | L253 N254 S255 L261 T262 T1084 R1087 | L253-E258 HydrophobicContact CD2-CB 3.69Å; L253-E258 HydrophobicContact CD2-CG 4.04Å; L253-E258 HydrophobicContact CG-CB 4.3Å; N254-E258 PolarHBondContact O-N 2.88Å; S255-E258 WeakPolarHBondContact O-CB 3.41Å; S255-E258 PolarHBondContact O-N 2.86Å; S255-E258 VanDerWaalsContact O-N 3.15Å; E258-L261 PolarHBondContact O-N 3.02Å; E258-T262 WeakPolarHBondContact O-CB 3.32Å; E258-T262 PolarHBondContact O-N 2.96Å; E258-T262 PolarHBondContact O-OG1 2.84Å; E258-T1084 VanDerWaalsContact CD-OG1 3.29Å; E258-T1084 VanDerWaalsContact OE1-CA 3.23Å; E258-T1084 WeakPolarHBondContact OE1-CA 3.5Å; E258-T1084 VanDerWaalsContact OE1-CB 3.31Å; E258-T1084 WeakPolarHBondContact OE1-CB 3.43Å; E258-T1084 PolarHBondContact OE1-OG1 2.92Å; E258-T1084 PolarHBondContact OE2-OG1 2.77Å; E258-R1087 IonicContact OE1-CZ 2.71Å; E258-R1087 IonicContact OE1-NH1 3.69Å; E258-R1087 PolarHBondContact OE1-NH1 3.4Å |
| 259 | E | 94.3 | Very high | 92.4 | Very high | 123 Ų | 123 | 52.7 Ų | 52.7 | 58% | 0.575 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.9 | -52.3 | 172.5 | -73.5 | 155.4 | -156.2 | 0 | 0 | 110.8 | S255 L261 T262 D263 | S255-E259 VanDerWaalsContact O-CG 3.29Å; S255-E259 WeakPolarHBondContact O-CG 3.47Å; S255-E259 PolarHBondContact O-N 2.85Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-L261 PolarHBondContact O-N 2.88Å; E259-T262 WeakPolarHBondContact O-CB 3.46Å; E259-T262 PolarHBondContact O-N 2.88Å; E259-T262 VanDerWaalsContact O-N 3.08Å; E259-D263 PolarHBondContact O-N 2.95Å |
| 260 | N | 94.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 177.4 | -69.8 | -21.4 | 0 | 0 | 0 | 113 | K256 V264 V1122 Q1125 | K256-N260 PolarHBondContact O-N 3.47Å; K256-N260 PolarHBondContact O-ND2 2.9Å; N260-V264 PolarHBondContact O-N 3.06Å; N260-V1122 HydrophobicContact CB-CG2 4.35Å; N260-Q1125 PolarHBondContact ND2-NE2 3.21Å; N260-Q1125 PolarHBondContact ND2-OE1 2.86Å |
| 261 | L | 95 | Very high | 92 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.1 | 172.1 | 58.9 | 0 | 0 | 0 | 111.2 | V257 E258 E259 V264 L265 R1087 I1088 F1091 V1122 L1126 | V257-L261 VanDerWaalsContact O-CB 3.26Å; V257-L261 WeakPolarHBondContact O-CB 3.37Å; V257-L261 PolarHBondContact O-N 3.47Å; E258-L261 PolarHBondContact O-N 3.02Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-L261 PolarHBondContact O-N 2.88Å; L261-V264 PolarHBondContact O-N 2.92Å; L261-L265 HydrophobicContact CD1-CD1 3.92Å; L261-L265 HydrophobicContact CD1-CG 4.03Å; L261-L265 HydrophobicContact CG-CD1 3.98Å; L261-L265 VanDerWaalsContact O-CG 3.25Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 2.69Å; L261-R1087 HydrophobicContact CD2-CB 3.84Å; L261-R1087 HydrophobicContact CG-CB 4.26Å; L261-I1088 HydrophobicContact CD2-CG1 3.98Å; L261-F1091 HydrophobicContact CD1-CB 3.93Å; L261-F1091 HydrophobicContact CD1-CD1 4.47Å; L261-F1091 HydrophobicContact CD1-CD2 3.75Å; L261-F1091 HydrophobicContact CD1-CE2 4.37Å; L261-F1091 HydrophobicContact CD1-CG 3.81Å; L261-V1122 HydrophobicContact CB-CG1 4.15Å; L261-V1122 HydrophobicContact CD1-CG1 3.94Å; L261-L1126 HydrophobicContact CD1-CD1 4.35Å; L261-L1126 HydrophobicContact CD2-CD1 4.41Å; L261-L1126 HydrophobicContact CD2-CD2 4.29Å |
| 262 | T | 94.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 52 Ų | 52 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 178.7 | -55 | 0 | 0 | 0 | 0 | 111.1 | E258 E259 V264 L265 E266 R1087 | E258-T262 WeakPolarHBondContact O-CB 3.32Å; E258-T262 PolarHBondContact O-N 2.96Å; E258-T262 PolarHBondContact O-OG1 2.84Å; E259-T262 WeakPolarHBondContact O-CB 3.46Å; E259-T262 PolarHBondContact O-N 2.88Å; E259-T262 VanDerWaalsContact O-N 3.08Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 2.91Å; T262-L265 PolarHBondContact O-N 2.81Å; T262-E266 HydrophobicContact CG2-CG 4.44Å; T262-E266 WeakPolarHBondContact CG2-OE1 3.07Å; T262-E266 WeakPolarHBondContact O-CG 3.48Å; T262-E266 PolarHBondContact O-N 2.84Å; T262-R1087 PolarHBondContact OG1-NE 3.12Å |
| 263 | D | 95.1 | Very high | 91 | Very high | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.2 | -47.5 | 172.8 | 171.1 | 81.8 | 0 | 0 | 0 | 111.8 | E259 E266 N267 R1118 | E259-D263 PolarHBondContact O-N 2.95Å; D263-E266 PolarHBondContact O-N 2.84Å; D263-N267 VanDerWaalsContact O-CB 3.32Å; D263-N267 WeakPolarHBondContact O-CB 3.12Å; D263-N267 PolarHBondContact O-N 2.73Å; D263-N267 PolarHBondContact O-ND2 3.16Å; D263-N267 PolarHBondContact OD1-ND2 3.48Å; D263-N267 PolarHBondContact OD2-ND2 2.82Å; D263-R1118 IonicContact OD2-NH1 3.11Å; D263-R1118 PolarHBondContact OD2-NH1 3.04Å |
| 264 | V | 94.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.8 | -32.5 | -178.3 | 172.1 | 0 | 0 | 0 | 0 | 112.6 | N260 L261 T262 L268 F1091 R1118 V1119 V1122 | N260-V264 PolarHBondContact O-N 3.06Å; L261-V264 PolarHBondContact O-N 2.92Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 2.91Å; V264-L268 HydrophobicContact CG1-CD1 3.86Å; V264-L268 HydrophobicContact CG1-CG 4.47Å; V264-L268 VanDerWaalsContact O-CB 3.32Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 WeakPolarHBondContact O-CD1 3.2Å; V264-L268 WeakPolarHBondContact O-CG 3.4Å; V264-L268 PolarHBondContact O-N 2.8Å; V264-F1091 HydrophobicContact CG1-CE2 4.05Å; V264-R1118 HydrophobicContact CG2-CB 3.91Å; V264-V1119 HydrophobicContact CG1-CG2 4Å; V264-V1122 HydrophobicContact CB-CG2 4.12Å; V264-V1122 HydrophobicContact CG2-CG2 3.6Å |
| 265 | L | 93.5 | Very high | 89 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.3 | -45 | 172.9 | -69.7 | 168 | 0 | 0 | 0 | 111.6 | L261 T262 L268 G269 L270 V272 R1087 A1090 F1091 | L261-L265 HydrophobicContact CD1-CD1 3.92Å; L261-L265 HydrophobicContact CD1-CG 4.03Å; L261-L265 HydrophobicContact CG-CD1 3.98Å; L261-L265 VanDerWaalsContact O-CG 3.25Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 2.69Å; T262-L265 PolarHBondContact O-N 2.81Å; L265-L268 PolarHBondContact O-N 2.66Å; L265-G269 PolarHBondContact O-N 2.87Å; L265-G269 VanDerWaalsContact O-N 3.16Å; L265-L270 HydrophobicContact CB-CB 4.42Å; L265-L270 HydrophobicContact CD2-CB 3.84Å; L265-L270 HydrophobicContact CD2-CD1 3.77Å; L265-L270 HydrophobicContact CD2-CG 4.46Å; L265-L270 PolarHBondContact O-N 2.82Å; L265-V272 HydrophobicContact CD1-CG2 4.14Å; L265-R1087 HydrophobicContact CD1-CB 3.79Å; L265-R1087 HydrophobicContact CD1-CG 3.94Å; L265-A1090 HydrophobicContact CD1-CB 4.49Å; L265-A1090 HydrophobicContact CD2-CB 3.99Å; L265-F1091 HydrophobicContact CD2-CB 4.35Å; L265-F1091 HydrophobicContact CD2-CD2 4.43Å |
| 266 | E | 93 | Very high | 87.7 | Confident | 146 Ų | 146 | 58 Ų | 58 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 179.5 | -71.5 | 178.2 | -168.7 | 0 | 0 | 111.8 | T262 D263 L268 G269 | T262-E266 HydrophobicContact CG2-CG 4.44Å; T262-E266 WeakPolarHBondContact CG2-OE1 3.07Å; T262-E266 WeakPolarHBondContact O-CG 3.48Å; T262-E266 PolarHBondContact O-N 2.84Å; D263-E266 PolarHBondContact O-N 2.84Å; E266-L268 VanDerWaalsContact C-N 3.26Å; E266-L268 PolarHBondContact O-N 3Å; E266-G269 PolarHBondContact O-N 3.3Å |
| 267 | N | 91.9 | Very high | 86.2 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -29.3 | 175.7 | -76.8 | -61.6 | 0 | 0 | 0 | 113.3 | D263 R1118 | D263-N267 VanDerWaalsContact O-CB 3.32Å; D263-N267 WeakPolarHBondContact O-CB 3.12Å; D263-N267 PolarHBondContact O-N 2.73Å; D263-N267 PolarHBondContact O-ND2 3.16Å; D263-N267 PolarHBondContact OD1-ND2 3.48Å; D263-N267 PolarHBondContact OD2-ND2 2.82Å; N267-R1118 PolarHBondContact ND2-NH1 3.46Å |
| 268 | L | 90.8 | Very high | 84.6 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.5 | 175.1 | -68.7 | 175 | 0 | 0 | 0 | 113.5 | V264 L265 E266 L270 A1094 E1115 V1119 | V264-L268 HydrophobicContact CG1-CD1 3.86Å; V264-L268 HydrophobicContact CG1-CG 4.47Å; V264-L268 VanDerWaalsContact O-CB 3.32Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 WeakPolarHBondContact O-CD1 3.2Å; V264-L268 WeakPolarHBondContact O-CG 3.4Å; V264-L268 PolarHBondContact O-N 2.8Å; L265-L268 PolarHBondContact O-N 2.66Å; E266-L268 VanDerWaalsContact C-N 3.26Å; E266-L268 PolarHBondContact O-N 3Å; L268-L270 HydrophobicContact CB-CD1 4Å; L268-L270 HydrophobicContact CB-CG 4.1Å; L268-L270 HydrophobicContact CD1-CD1 4.05Å; L268-L270 PolarHBondContact O-N 3.17Å; L268-A1094 HydrophobicContact CD1-CB 3.84Å; L268-E1115 HydrophobicContact CD2-CB 4.18Å; L268-E1115 HydrophobicContact CD2-CG 4.13Å; L268-V1119 HydrophobicContact CD1-CG2 3.7Å |
| 269 | G | 88.9 | Confident | 83 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 24.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L265 E266 P271 | L265-G269 PolarHBondContact O-N 2.87Å; L265-G269 VanDerWaalsContact O-N 3.16Å; E266-G269 PolarHBondContact O-N 3.3Å; G269-P271 WeakPolarHBondContact O-CD 3.45Å |
| 270 | L | 87.9 | Confident | 81.4 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | trans | -79.8 | 115.5 | -175 | -84.2 | 168.9 | 0 | 0 | 0 | 111.6 | L265 L268 V272 Y291 L293 P1093 A1094 | L265-L270 HydrophobicContact CB-CB 4.42Å; L265-L270 HydrophobicContact CD2-CB 3.84Å; L265-L270 HydrophobicContact CD2-CD1 3.77Å; L265-L270 HydrophobicContact CD2-CG 4.46Å; L265-L270 PolarHBondContact O-N 2.82Å; L268-L270 HydrophobicContact CB-CD1 4Å; L268-L270 HydrophobicContact CB-CG 4.1Å; L268-L270 HydrophobicContact CD1-CD1 4.05Å; L268-L270 PolarHBondContact O-N 3.17Å; L270-V272 PolarHBondContact O-N 2.93Å; L270-Y291 HydrophobicContact CD2-CD1 3.89Å; L270-Y291 HydrophobicContact CD2-CE1 4.16Å; L270-L293 HydrophobicContact CD1-CD1 3.75Å; L270-L293 HydrophobicContact CD2-CD1 3.75Å; L270-L293 HydrophobicContact CD2-CD2 4.45Å; L270-L293 HydrophobicContact CD2-CG 3.8Å; L270-L293 HydrophobicContact CG-CD1 3.84Å; L270-L293 HydrophobicContact CG-CG 4.29Å; L270-P1093 HydrophobicContact CD2-CB 3.73Å; L270-P1093 HydrophobicContact CD2-CG 4.27Å; L270-A1094 HydrophobicContact CD1-CB 4.01Å | ||
| 271 | P | 84.6 | Confident | 79.7 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | trans | -72.4 | 117.4 | -179.1 | 29 | -33.7 | 0 | 0 | 0 | 111 | G269 N273 | G269-P271 WeakPolarHBondContact O-CD 3.45Å; P271-N273 PolarHBondContact O-N 3.16Å | ||
| 272 | V | 83.8 | Confident | 77.9 | Confident | 38 Ų | 38 | 75.9 Ų | 75.9 | 23% | 0.23 | 43% | 0.427 | C | S | . | . | trans | -68.5 | 129.1 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | L265 L270 L274 M1083 A1086 R1087 A1090 | L265-V272 HydrophobicContact CD1-CG2 4.14Å; L270-V272 PolarHBondContact O-N 2.93Å; V272-L274 HydrophobicContact CB-CD2 4.48Å; V272-L274 HydrophobicContact CG1-CD2 4.09Å; V272-L274 PolarHBondContact O-N 2.94Å; V272-L274 VanDerWaalsContact O-N 3.1Å; V272-M1083 HydrophobicContact CG1-SD 4.15Å; V272-A1086 HydrophobicContact CG1-CB 3.5Å; V272-R1087 HydrophobicContact CG1-CG 4.42Å; V272-R1087 HydrophobicContact CG2-CG 4.17Å; V272-A1090 HydrophobicContact CG2-CB 4.31Å | ||
| 273 | N | 78.7 | Confident | 76.3 | Confident | 49 Ų | 49 | 80.5 Ų | 80.5 | 26% | 0.262 | 45% | 0.447 | S | S | . | . | trans | -75.5 | 101.4 | -178.1 | -160.1 | 8.1 | 0 | 0 | 0 | 110.1 | P271 Y285 N286 M287 T289 F1082 | P271-N273 PolarHBondContact O-N 3.16Å; N273-Y285 VanDerWaalsContact C-OH 3.27Å; N273-Y285 PolarHBondContact ND2-OH 2.99Å; N273-Y285 PolarHBondContact O-OH 2.97Å; N273-Y285 PolarHBondContact OD1-OH 2.89Å; N273-N286 PolarHBondContact ND2-O 2.87Å; N273-M287 PolarHBondContact ND2-O 3.48Å; N273-T289 HydrophobicContact CB-CG2 3.73Å; N273-F1082 WeakPolarHBondContact O-CZ 3.25Å | ||
| 274 | L | 72.6 | Confident | 75 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 141.2 | -176.4 | -60.1 | -175 | 0 | 0 | 0 | 112.1 | V272 P276 Y285 M1083 | V272-L274 HydrophobicContact CB-CD2 4.48Å; V272-L274 HydrophobicContact CG1-CD2 4.09Å; V272-L274 PolarHBondContact O-N 2.94Å; V272-L274 VanDerWaalsContact O-N 3.1Å; L274-P276 WeakPolarHBondContact O-CD 3.48Å; L274-Y285 VanDerWaalsContact C-OH 3.29Å; L274-Y285 PolarHBondContact O-OH 2.85Å; L274-M1083 HydrophobicContact CD2-CE 3.69Å; L274-M1083 HydrophobicContact CD2-SD 3.65Å |
| 275 | K | 67.7 | Low | 74 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -56 | 123.8 | 178.7 | -176.5 | -176.6 | 176 | -173.7 | 0 | 110.4 | T277 F1082 | K275-T277 PolarHBondContact O-N 2.9Å; K275-F1082 HydrophobicContact CB-CE1 3.97Å; K275-F1082 HydrophobicContact CB-CE2 3.94Å; K275-F1082 HydrophobicContact CB-CZ 3.66Å; K275-F1082 VanDerWaalsContact N-CZ 3.28Å |
| 276 | P | 63 | Low | 73.5 | Confident | 58 Ų | 58 | 84 Ų | 84 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 132 | 171.4 | -25.4 | 35.2 | 0 | 0 | 0 | 110.8 | L274 N278 L279 Y285 | L274-P276 WeakPolarHBondContact O-CD 3.48Å; P276-N278 PolarHBondContact O-N 3.45Å; P276-N278 VanDerWaalsContact O-N 3.14Å; P276-L279 HydrophobicContact CB-CD1 4.28Å; P276-L279 HydrophobicContact CG-CD1 4.1Å; P276-L279 PolarHBondContact O-N 2.9Å; P276-Y285 HydrophobicContact CG-CD2 4.22Å; P276-Y285 HydrophobicContact CG-CE2 3.91Å |
| 277 | T | 60.5 | Low | 73.1 | Confident | 139 Ų | 139 | 77.1 Ų | 77.1 | 85% | 0.853 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.7 | -173 | 40.5 | 0 | 0 | 0 | 0 | 114.2 | K275 | K275-T277 PolarHBondContact O-N 2.9Š|
| 278 | N | 59.3 | Low | 72.7 | Confident | 149 Ų | 149 | 73.4 Ų | 73.4 | 80% | 0.797 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 42.2 | -178.3 | -66.5 | -18.5 | 0 | 0 | 0 | 112.6 | P276 P280 | P276-N278 PolarHBondContact O-N 3.45Å; P276-N278 VanDerWaalsContact O-N 3.14Å; N278-P280 WeakPolarHBondContact O-CD 3.5Å |
| 279 | L | 59.8 | Low | 71.8 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | trans | -75.2 | 125.2 | 175.1 | -157.3 | 89.3 | 0 | 0 | 0 | 111.1 | P276 Q283 Y285 | P276-L279 HydrophobicContact CB-CD1 4.28Å; P276-L279 HydrophobicContact CG-CD1 4.1Å; P276-L279 PolarHBondContact O-N 2.9Å; L279-Q283 WeakPolarHBondContact CD2-O 3.49Å; L279-Q283 HydrophobicContact CG-CB 4.46Å; L279-Y285 HydrophobicContact CD1-CD2 4.46Å | ||
| 280 | P | 60.5 | Low | 70.9 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 47% | 0.468 | 43% | 0.432 | S | S | . | . | trans | -64.1 | 146.9 | 173.2 | -20.1 | 32.8 | 0 | 0 | 0 | 112.4 | N278 D282 Q283 | N278-P280 WeakPolarHBondContact O-CD 3.5Å; P280-D282 PolarHBondContact O-N 3.21Å; P280-Q283 HydrophobicContact CB-CB 4.35Å; P280-Q283 HydrophobicContact CG-CB 4.46Å; P280-Q283 PolarHBondContact O-N 3.39Å | ||
| 281 | L | 58.1 | Low | 70.2 | Confident | 154 Ų | 154 | 82.7 Ų | 82.7 | 81% | 0.806 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -36.1 | -179.2 | -78.8 | 160.3 | 0 | 0 | 0 | 113.5 | Q283 | L281-Q283 VanDerWaalsContact C-N 3.34Š|
| 282 | D | 57.6 | Low | 69.7 | Low | 168 Ų | 168 | 82.4 Ų | 82.4 | 90% | 0.898 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.1 | -179.2 | -59.2 | -51.3 | 0 | 0 | 0 | 114.1 | P280 | P280-D282 PolarHBondContact O-N 3.21Š|
| 283 | Q | 61.4 | Low | 69.6 | Low | 118 Ų | 118 | 82.6 Ų | 82.6 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | trans | -92.8 | 114 | -171.9 | -164.5 | 169 | 22.4 | 0 | 0 | 112.1 | L279 P280 L281 Y285 | L279-Q283 WeakPolarHBondContact CD2-O 3.49Å; L279-Q283 HydrophobicContact CG-CB 4.46Å; P280-Q283 HydrophobicContact CB-CB 4.35Å; P280-Q283 HydrophobicContact CG-CB 4.46Å; P280-Q283 PolarHBondContact O-N 3.39Å; L281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-Y285 PolarHBondContact O-N 3.17Å | ||
| 284 | A | 66 | Low | 69.9 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | trans | -64.5 | 121.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1058 | A284-I1058 HydrophobicContact CB-CD1 4.22Å; A284-I1058 HydrophobicContact CB-CG2 3.7Å | ||
| 285 | Y | 74.9 | Confident | 70.6 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 9% | 0.09 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.3 | 175.9 | 173.9 | -98.1 | 0 | 0 | 0 | 111 | N273 L274 P276 L279 Q283 M287 I1058 W1059 F1082 | N273-Y285 VanDerWaalsContact C-OH 3.27Å; N273-Y285 PolarHBondContact ND2-OH 2.99Å; N273-Y285 PolarHBondContact O-OH 2.97Å; N273-Y285 PolarHBondContact OD1-OH 2.89Å; L274-Y285 VanDerWaalsContact C-OH 3.29Å; L274-Y285 PolarHBondContact O-OH 2.85Å; P276-Y285 HydrophobicContact CG-CD2 4.22Å; P276-Y285 HydrophobicContact CG-CE2 3.91Å; L279-Y285 HydrophobicContact CD1-CD2 4.46Å; Q283-Y285 PolarHBondContact O-N 3.17Å; Y285-M287 HydrophobicContact CD1-CG 4.09Å; Y285-M287 HydrophobicContact CE1-CG 4.09Å; Y285-I1058 WeakPolarHBondContact O-CA 3.38Å; Y285-W1059 HydrophobicContact CD1-CB 4.23Å; Y285-W1059 PolarHBondContact O-N 3.34Å; Y285-F1082 HydrophobicContact CD1-CE2 4.2Å; Y285-F1082 AromaticContact CE1-CE2 3.76Å; Y285-F1082 HydrophobicContact CE1-CE2 3.76Å; Y285-F1082 AromaticContact CE1-CZ 3.78Å; Y285-F1082 HydrophobicContact CE1-CZ 3.78Å |
| 286 | N | 81.8 | Confident | 71.5 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.9 | 175.7 | -173 | 16.2 | 0 | 0 | 0 | 110.4 | N273 I288 A1057 | N273-N286 PolarHBondContact ND2-O 2.87Å; N286-I288 PolarHBondContact OD1-N 3.28Å; N286-A1057 CarbonylContact C-O 3.57Å; N286-A1057 WeakPolarHBondContact CA-O 3.39Å; N286-A1057 PolarHBondContact OD1-N 2.92Å; N286-A1057 PolarHBondContact OD1-O 3.22Å |
| 287 | M | 85.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 43% | 0.432 | C | S | . | . | trans | -81.6 | -21.3 | -176.1 | -56.4 | -172.6 | 72.4 | 0 | 0 | 113.2 | N273 Y285 T289 A1057 W1059 V1070 F1082 A1085 A1086 F1089 | N273-M287 PolarHBondContact ND2-O 3.48Å; Y285-M287 HydrophobicContact CD1-CG 4.09Å; Y285-M287 HydrophobicContact CE1-CG 4.09Å; M287-T289 PolarHBondContact O-N 3.44Å; M287-A1057 HydrophobicContact CB-CB 4.43Å; M287-A1057 PolarHBondContact N-O 3.24Å; M287-W1059 HydrophobicContact CE-CE3 4.37Å; M287-W1059 HydrophobicContact CG-CB 4.16Å; M287-W1059 HydrophobicContact SD-CB 3.95Å; M287-W1059 HydrophobicContact SD-CE3 3.93Å; M287-V1070 HydrophobicContact SD-CG1 4.38Å; M287-V1070 HydrophobicContact SD-CG2 3.88Å; M287-F1082 HydrophobicContact CE-CD2 3.65Å; M287-F1082 HydrophobicContact CE-CE2 3.54Å; M287-F1082 HydrophobicContact CE-CG 4.25Å; M287-F1082 HydrophobicContact CE-CZ 4.01Å; M287-F1082 WeakPolarHBondContact CE-O 3.47Å; M287-F1082 HydrophobicContact SD-CE2 4.44Å; M287-A1085 HydrophobicContact CE-CB 3.67Å; M287-A1085 HydrophobicContact SD-CB 4.17Å; M287-A1086 HydrophobicContact CE-CB 3.87Å; M287-F1089 HydrophobicContact CB-CD2 3.65Å; M287-F1089 HydrophobicContact CB-CE2 4.09Å; M287-F1089 HydrophobicContact CB-CG 4.48Å; M287-F1089 HydrophobicContact SD-CD2 4.44Å; M287-F1089 HydrophobicContact SD-CE2 4.23Å | ||
| 288 | I | 83.5 | Confident | 73.8 | Confident | 20 Ų | 20 | 73.5 Ų | 73.5 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | trans | -70.2 | 125.8 | -176.9 | -64.6 | 166.5 | 0 | 0 | 0 | 110.9 | N286 R1055 A1057 F1089 | N286-I288 PolarHBondContact OD1-N 3.28Å; I288-R1055 WeakPolarHBondContact CD1-O 3.28Å; I288-A1057 HydrophobicContact CD1-CB 3.95Å; I288-A1057 HydrophobicContact CG1-CB 3.91Å; I288-F1089 HydrophobicContact CG1-CB 4.43Å; I288-F1089 HydrophobicContact CG1-CD1 3.82Å; I288-F1089 HydrophobicContact CG1-CE1 4.31Å; I288-F1089 HydrophobicContact CG1-CG 4.13Å | ||
| 289 | T | 72.8 | Confident | 75 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | trans | -87.1 | 116.6 | 175 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | N273 M287 Y291 | N273-T289 HydrophobicContact CB-CG2 3.73Å; M287-T289 PolarHBondContact O-N 3.44Å; T289-Y291 PolarHBondContact O-N 3.18Å | ||
| 290 | N | 69.2 | Low | 76.2 | Confident | 151 Ų | 151 | 70.2 Ų | 70.2 | 81% | 0.807 | 40% | 0.402 | S | S | * | . | trans | -79.6 | 44.4 | 173.2 | -65.3 | -15.3 | 0 | 0 | 0 | 112.1 | ||||
| 291 | Y | 73.2 | Confident | 77.3 | Confident | 113 Ų | 113 | 73.3 Ų | 73.3 | 44% | 0.443 | 41% | 0.408 | S | S | . | . | trans | -99.7 | 121.1 | -179.4 | 179.8 | -98.7 | 0 | 0 | 0 | 110.1 | L270 T289 L293 P1093 | L270-Y291 HydrophobicContact CD2-CD1 3.89Å; L270-Y291 HydrophobicContact CD2-CE1 4.16Å; T289-Y291 PolarHBondContact O-N 3.18Å; Y291-L293 HydrophobicContact CD1-CG 4.44Å; Y291-L293 HydrophobicContact CE1-CD2 4Å; Y291-L293 HydrophobicContact CE1-CG 3.93Å; Y291-P1093 WeakPolarHBondContact O-CB 3.27Å; Y291-P1093 WeakPolarHBondContact O-CG 3.43Å | ||
| 292 | N | 74.8 | Confident | 78.1 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | trans | -96.5 | 108.5 | 176.1 | -65.8 | -27.3 | 0 | 0 | 0 | 109.6 | V294 D295 K820 | N292-V294 VanDerWaalsContact C-N 3.29Å; N292-V294 PolarHBondContact O-N 2.86Å; N292-D295 HydrophobicContact CB-CB 4Å; N292-D295 VanDerWaalsContact ND2-CG 3.28Å; N292-D295 PolarHBondContact ND2-OD2 2.73Å; N292-K820 PolarHBondContact ND2-NZ 3.27Å; N292-K820 PolarHBondContact OD1-NZ 3.43Å | ||
| 293 | L | 81.5 | Confident | 79.2 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -60.3 | -40.2 | 172.2 | -99.5 | 173.7 | 0 | 0 | 0 | 112.1 | L270 Y291 A1094 A1097 | L270-L293 HydrophobicContact CD1-CD1 3.75Å; L270-L293 HydrophobicContact CD2-CD1 3.75Å; L270-L293 HydrophobicContact CD2-CD2 4.45Å; L270-L293 HydrophobicContact CD2-CG 3.8Å; L270-L293 HydrophobicContact CG-CD1 3.84Å; L270-L293 HydrophobicContact CG-CG 4.29Å; Y291-L293 HydrophobicContact CD1-CG 4.44Å; Y291-L293 HydrophobicContact CE1-CD2 4Å; Y291-L293 HydrophobicContact CE1-CG 3.93Å; L293-A1094 HydrophobicContact CD1-CB 4.33Å; L293-A1097 HydrophobicContact CB-CB 3.77Å |
| 294 | V | 84.7 | Confident | 80.2 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.255 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -142.8 | 141.3 | 171 | -170.7 | 0 | 0 | 0 | 0 | 106.1 | N292 A1097 V1100 L1104 | N292-V294 VanDerWaalsContact C-N 3.29Å; N292-V294 PolarHBondContact O-N 2.86Å; V294-A1097 HydrophobicContact CB-CB 4.03Å; V294-A1097 HydrophobicContact CG2-CB 3.97Å; V294-V1100 HydrophobicContact CB-CG1 4.19Å; V294-V1100 HydrophobicContact CG1-CG1 3.68Å; V294-L1104 HydrophobicContact CG1-CD1 4.45Å |
| 295 | D | 86.3 | Confident | 80.9 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | trans | -136.5 | 167 | 176.4 | -147 | 9.4 | 0 | 0 | 0 | 110 | N292 K820 | N292-D295 HydrophobicContact CB-CB 4Å; N292-D295 VanDerWaalsContact ND2-CG 3.28Å; N292-D295 PolarHBondContact ND2-OD2 2.73Å; D295-K820 WeakPolarHBondContact OD1-CE 3.31Å; D295-K820 IonicContact OD1-NZ 3.58Å; D295-K820 PolarHBondContact OD1-NZ 2.74Å | ||
| 296 | F | 87.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 6% | 0.057 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 130.6 | 168.1 | -56.7 | -58.4 | 0 | 0 | 0 | 109.4 | K820 T829 P830 L831 V1100 C1103 L1104 | F296-K820 HydrophobicContact CD2-CB 4.23Å; F296-K820 HydrophobicContact CE2-CB 4.19Å; F296-T829 HydrophobicContact CB-CG2 4.16Å; F296-T829 HydrophobicContact CD2-CG2 3.93Å; F296-T829 HydrophobicContact CG-CG2 4.28Å; F296-P830 HydrophobicContact CD1-CB 4.19Å; F296-P830 HydrophobicContact CD1-CG 3.79Å; F296-P830 HydrophobicContact CE1-CB 3.98Å; F296-P830 HydrophobicContact CE1-CG 4.1Å; F296-L831 HydrophobicContact CE2-CB 3.63Å; F296-L831 HydrophobicContact CE2-CD2 4.29Å; F296-L831 HydrophobicContact CZ-CB 3.59Å; F296-V1100 HydrophobicContact CD1-CG1 3.93Å; F296-V1100 HydrophobicContact CE1-CB 4.18Å; F296-V1100 HydrophobicContact CE1-CG1 3.77Å; F296-V1100 HydrophobicContact CE1-CG2 4.22Å; F296-V1100 HydrophobicContact CE2-CG2 4.03Å; F296-V1100 HydrophobicContact CZ-CB 4.22Å; F296-V1100 HydrophobicContact CZ-CG1 4.26Å; F296-V1100 HydrophobicContact CZ-CG2 3.86Å; F296-C1103 HydrophobicContact CE1-CB 3.79Å; F296-C1103 HydrophobicContact CZ-CB 3.75Å; F296-L1104 HydrophobicContact CD1-CD2 4.34Å; F296-L1104 HydrophobicContact CD1-CG 4.26Å; F296-L1104 HydrophobicContact CE1-CG 4.23Å |
| 297 | G | 85.5 | Confident | 81.5 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 135.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | A299 | G297-A299 PolarHBondContact O-N 2.94Š|
| 298 | D | 86.8 | Confident | 81.5 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123.4 | 177.1 | -60.7 | -67.4 | 0 | 0 | 0 | 109.8 | K824 | D298-K824 WeakPolarHBondContact OD1-CB 3.11Å; D298-K824 VanDerWaalsContact OD1-CG 3.28Å; D298-K824 WeakPolarHBondContact OD1-CG 3.14Å; D298-K824 PolarHBondContact OD1-N 3.43Å; D298-K824 IonicContact OD1-NZ 2.69Å; D298-K824 PolarHBondContact OD1-NZ 2.88Å; D298-K824 IonicContact OD2-NZ 2.67Å; D298-K824 PolarHBondContact OD2-NZ 2.82Å |
| 299 | A | 84.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 21% | 0.207 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -81 | 149.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G297 D823 N825 E827 | G297-A299 PolarHBondContact O-N 2.94Å; A299-D823 PolarHBondContact N-OD2 2.83Å; A299-N825 PolarHBondContact O-ND2 3.2Å; A299-E827 HydrophobicContact CB-CB 3.98Å |
| 300 | P | 84.9 | Confident | 82.6 | Confident | 106 Ų | 106 | 66.1 Ų | 66.1 | 69% | 0.688 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 135.5 | 173.9 | 28.2 | -34.2 | 0 | 0 | 0 | 110.5 | Q302 | P300-Q302 PolarHBondContact O-N 3.37Š|
| 301 | K | 82.7 | Confident | 83.6 | Confident | 136 Ų | 136 | 61 Ų | 61 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -54 | 124.3 | 179.5 | -71.2 | -165.3 | -179.1 | -144.8 | 0 | 111.2 | N825 E827 | K301-N825 WeakPolarHBondContact CE-O 3.42Å; K301-N825 HydrophobicContact CG-CB 3.81Å; K301-N825 PolarHBondContact NZ-O 2.93Å; K301-E827 WeakPolarHBondContact CA-OE1 3.44Å |
| 302 | Q | 75.9 | Confident | 84.5 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 132.6 | -174.5 | -61 | -172.6 | 31.4 | 0 | 0 | 109.8 | P300 R789 E827 | P300-Q302 PolarHBondContact O-N 3.37Å; Q302-R789 VanDerWaalsContact OE1-CD 3.31Å; Q302-R789 VanDerWaalsContact OE1-NE 3.09Å; Q302-E827 PolarHBondContact N-OE1 3.14Å |
| 303 | Q | 79.4 | Confident | 85.2 | Confident | 165 Ų | 165 | 55 Ų | 55 | 77% | 0.771 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 143.7 | 172.2 | -66.7 | -166.1 | 15.8 | 0 | 0 | 110.2 | Q305 | Q303-Q305 WeakPolarHBondContact O-CG 3.46Å; Q303-Q305 PolarHBondContact O-N 3.23Å |
| 304 | P | 82.7 | Confident | 85.4 | Confident | 96 Ų | 96 | 56.2 Ų | 56.2 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 121.2 | 179.4 | -21.1 | 31.3 | 0 | 0 | 0 | 111.6 | ||
| 305 | Q | 81.3 | Confident | 85.6 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 148.1 | 177.5 | -53.2 | -169.9 | 15.6 | 0 | 0 | 110 | Q303 R789 | Q303-Q305 WeakPolarHBondContact O-CG 3.46Å; Q303-Q305 PolarHBondContact O-N 3.23Å; Q305-R789 HydrophobicContact CB-CB 4.14Å; Q305-R789 HydrophobicContact CG-CB 4.08Å; Q305-R789 PolarHBondContact N-O 2.88Å |
| 306 | L | 83.5 | Confident | 85.8 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 143.1 | 168.1 | -168.1 | 76.3 | 0 | 0 | 0 | 109.1 | A308 E506 M507 A510 | L306-A308 PolarHBondContact O-N 2.87Å; L306-A308 VanDerWaalsContact O-N 3.12Å; L306-E506 HydrophobicContact CD1-CB 3.88Å; L306-M507 HydrophobicContact CD1-CG 4.28Å; L306-M507 HydrophobicContact CG-CG 4.44Å; L306-A510 HydrophobicContact CD2-CB 3.46Å; L306-A510 VanDerWaalsContact CD2-CB 3.46Å |
| 307 | V | 86.1 | Confident | 86 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 119.2 | 167.1 | 174 | 0 | 0 | 0 | 0 | 109 | M475 L503 M507 L790 | V307-M475 HydrophobicContact CB-SD 4.39Å; V307-M475 HydrophobicContact CG1-CB 3.79Å; V307-M475 HydrophobicContact CG1-CG 4.15Å; V307-M475 HydrophobicContact CG1-SD 3.87Å; V307-M475 HydrophobicContact CG2-CB 4.04Å; V307-M475 HydrophobicContact CG2-SD 4.02Å; V307-L503 HydrophobicContact CG2-CD2 3.68Å; V307-M507 HydrophobicContact CB-CE 3.98Å; V307-M507 HydrophobicContact CB-CG 4.29Å; V307-M507 HydrophobicContact CB-SD 3.75Å; V307-M507 HydrophobicContact CG1-CE 3.7Å; V307-M507 HydrophobicContact CG1-SD 3.87Å; V307-L790 HydrophobicContact CG2-CD2 4.3Å |
| 308 | A | 84.6 | Confident | 86.3 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 140.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L306 G478 L479 | L306-A308 PolarHBondContact O-N 2.87Å; L306-A308 VanDerWaalsContact O-N 3.12Å; A308-G478 CarbonylContact O-C 3.53Å; A308-G478 WeakPolarHBondContact O-CA 3.41Å; A308-L479 PolarHBondContact O-N 3.42Å |
| 309 | W | 91.1 | Very high | 86.5 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | trans | -144.1 | 144.4 | -177.5 | -179.5 | 86.4 | 0 | 0 | 0 | 111.7 | Y50 P311 V482 M507 N511 N513 L514 | Y50-W309 WeakPolarHBondContact CE2-O 3.39Å; W309-P311 HydrophobicContact CH2-CB 3.98Å; W309-P311 HydrophobicContact CH2-CG 4.34Å; W309-P311 HydrophobicContact CZ2-CB 4.39Å; W309-V482 PolarHBondContact NE1-O 3.11Å; W309-M507 HydrophobicContact CB-CE 4.06Å; W309-N511 HydrophobicContact CD2-CB 4.04Å; W309-N511 HydrophobicContact CE3-CB 3.64Å; W309-N511 VanDerWaalsContact CE3-OD1 3.29Å; W309-N511 HydrophobicContact CZ3-CB 4.17Å; W309-N513 HydrophobicContact CH2-CB 3.68Å; W309-N513 HydrophobicContact CZ3-CB 4.24Å; W309-L514 HydrophobicContact CD2-CB 4.33Å; W309-L514 HydrophobicContact CZ2-CB 4.06Å | ||
| 310 | C | 88.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -150 | 155.9 | 166.7 | 61.4 | 0 | 0 | 0 | 0 | 109.1 | F313 R480 G481 | C310-F313 VanDerWaalsContact SG-CE1 3.51Å; C310-R480 VanDerWaalsContact SG-CB 3.56Å; C310-R480 WeakPolarHBondContact SG-CG 3.17Å; C310-G481 PolarHBondContact O-N 3.02Å | ||
| 311 | P | 89.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 29% | 0.286 | 25% | 0.247 | S | C | . | . | trans | -63.9 | 166.8 | 172.9 | 30.1 | -36.3 | 0 | 0 | 0 | 111 | W309 | W309-P311 HydrophobicContact CH2-CB 3.98Å; W309-P311 HydrophobicContact CH2-CG 4.34Å; W309-P311 HydrophobicContact CZ2-CB 4.39Å | ||
| 312 | P | 92.1 | Very high | 86.7 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | trans | -50.8 | 142.5 | 173.6 | -29.3 | 38.1 | 0 | 0 | 0 | 113.3 | L334 | P312-L334 HydrophobicContact CB-CD1 4.23Š| ||
| 313 | F | 89.1 | Confident | 87.1 | Confident | 38 Ų | 38 | 37 Ų | 37 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | trans | -148.9 | 156.3 | 179.9 | 65.4 | -81.8 | 0 | 0 | 0 | 110.6 | C310 W316 R480 | C310-F313 VanDerWaalsContact SG-CE1 3.51Å; F313-W316 HydrophobicContact CD1-CB 4.26Å; F313-W316 HydrophobicContact CD1-CG 4.39Å; F313-W316 HydrophobicContact CD2-CB 4.06Å; F313-W316 HydrophobicContact CE1-CB 3.81Å; F313-W316 AromaticContact CE1-CD1 3.73Å; F313-W316 HydrophobicContact CE1-CD2 4.01Å; F313-W316 AromaticContact CE1-CG 3.57Å; F313-W316 HydrophobicContact CE1-CG 3.57Å; F313-W316 HydrophobicContact CE2-CB 3.61Å; F313-W316 HydrophobicContact CE2-CD2 4.31Å; F313-W316 HydrophobicContact CE2-CE3 4.36Å; F313-W316 HydrophobicContact CE2-CG 4.02Å; F313-W316 HydrophobicContact CG-CB 4.38Å; F313-W316 HydrophobicContact CZ-CB 3.48Å; F313-W316 VanDerWaalsContact CZ-CB 3.48Å; F313-W316 AromaticContact CZ-CD1 3.99Å; F313-W316 AromaticContact CZ-CD2 3.5Å; F313-W316 HydrophobicContact CZ-CD2 3.5Å; F313-W316 VanDerWaalsContact CZ-CD2 3.5Å; F313-W316 AromaticContact CZ-CE3 3.79Å; F313-W316 HydrophobicContact CZ-CE3 3.79Å; F313-W316 AromaticContact CZ-CG 3.36Å; F313-W316 HydrophobicContact CZ-CG 3.36Å; F313-R480 HydrophobicContact CE1-CB 4.35Å | ||
| 314 | P | 87 | Confident | 87.4 | Confident | 66 Ų | 66 | 30.7 Ų | 30.7 | 43% | 0.429 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -61.5 | 154.6 | -179 | -22.9 | 33.3 | 0 | 0 | 0 | 114.3 | L334 | P314-L334 HydrophobicContact CG-CD2 4.5Å; P314-L334 HydrophobicContact CG-CG 4.15Å |
| 315 | N | 89.2 | Confident | 87.1 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 18% | 0.176 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 51.9 | 44.5 | -174.6 | -165.5 | 18.7 | 0 | 0 | 0 | 114.7 | N323 I324 D325 A330 Y460 | N315-N323 WeakPolarHBondContact O-CA 3.38Å; N315-N323 WeakPolarHBondContact O-CB 3.42Å; N315-N323 PolarHBondContact O-ND2 3.18Å; N315-I324 WeakPolarHBondContact OD1-CA 3.48Å; N315-I324 WeakPolarHBondContact OD1-CB 3.39Å; N315-I324 PolarHBondContact OD1-N 3.21Å; N315-D325 PolarHBondContact ND2-OD1 2.87Å; N315-D325 PolarHBondContact OD1-N 2.68Å; N315-A330 WeakPolarHBondContact CB-O 3.46Å; N315-Y460 PolarHBondContact N-OH 2.86Å |
| 316 | W | 90.3 | Very high | 87 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | trans | -140.9 | 132.5 | 175.6 | -175.4 | -101 | 0 | 0 | 0 | 113.4 | F313 A321 C322 Y460 R480 | F313-W316 HydrophobicContact CD1-CB 4.26Å; F313-W316 HydrophobicContact CD1-CG 4.39Å; F313-W316 HydrophobicContact CD2-CB 4.06Å; F313-W316 HydrophobicContact CE1-CB 3.81Å; F313-W316 AromaticContact CE1-CD1 3.73Å; F313-W316 HydrophobicContact CE1-CD2 4.01Å; F313-W316 AromaticContact CE1-CG 3.57Å; F313-W316 HydrophobicContact CE1-CG 3.57Å; F313-W316 HydrophobicContact CE2-CB 3.61Å; F313-W316 HydrophobicContact CE2-CD2 4.31Å; F313-W316 HydrophobicContact CE2-CE3 4.36Å; F313-W316 HydrophobicContact CE2-CG 4.02Å; F313-W316 HydrophobicContact CG-CB 4.38Å; F313-W316 HydrophobicContact CZ-CB 3.48Å; F313-W316 VanDerWaalsContact CZ-CB 3.48Å; F313-W316 AromaticContact CZ-CD1 3.99Å; F313-W316 AromaticContact CZ-CD2 3.5Å; F313-W316 HydrophobicContact CZ-CD2 3.5Å; F313-W316 VanDerWaalsContact CZ-CD2 3.5Å; F313-W316 AromaticContact CZ-CE3 3.79Å; F313-W316 HydrophobicContact CZ-CE3 3.79Å; F313-W316 AromaticContact CZ-CG 3.36Å; F313-W316 HydrophobicContact CZ-CG 3.36Å; W316-A321 VanDerWaalsContact CH2-O 3.31Å; W316-A321 WeakPolarHBondContact CH2-O 3.29Å; W316-A321 VanDerWaalsContact CZ2-C 3.42Å; W316-A321 HydrophobicContact CZ2-CB 4.19Å; W316-C322 VanDerWaalsContact CE3-C 3.48Å; W316-Y460 PolarHBondContact N-OH 3.43Å; W316-R480 HydrophobicContact CZ2-CB 3.83Å; W316-R480 PolarHBondContact NE1-O 2.94Å | ||
| 317 | N | 91.6 | Very high | 86.9 | Confident | 23 Ų | 23 | 30.9 Ų | 30.9 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -101.5 | 109.2 | 170.8 | -175.3 | -31.2 | 0 | 0 | 0 | 109.9 | W319 T320 A321 C322 I324 P459 | N317-W319 PolarHBondContact O-N 3.16Å; N317-W319 WeakPolarHBondContact OD1-CA 3.35Å; N317-W319 WeakPolarHBondContact OD1-CB 3.28Å; N317-W319 PolarHBondContact OD1-N 3.2Å; N317-T320 VanDerWaalsContact CB-OG1 3.32Å; N317-T320 WeakPolarHBondContact CB-OG1 3.37Å; N317-T320 PolarHBondContact ND2-OG1 2.85Å; N317-T320 PolarHBondContact OD1-N 3.12Å; N317-T320 PolarHBondContact OD1-OG1 3.16Å; N317-A321 WeakPolarHBondContact O-CA 3.43Å; N317-A321 PolarHBondContact O-N 2.88Å; N317-C322 PolarHBondContact N-O 2.85Å; N317-C322 PolarHBondContact O-N 2.82Å; N317-I324 HydrophobicContact CB-CG1 4.1Å; N317-P459 HydrophobicContact CB-CB 4.24Å; N317-P459 HydrophobicContact CB-CG 4.43Å |
| 318 | P | 91.6 | Very high | 86.7 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.4 | -179 | 28.7 | -34.8 | 0 | 0 | 0 | 113.2 | P459 R480 V482 | P318-P459 VanDerWaalsContact CD-O 3.24Å; P318-P459 WeakPolarHBondContact CD-O 3.22Å; P318-P459 WeakPolarHBondContact CG-O 3.46Å; P318-R480 WeakPolarHBondContact CB-O 3.36Å; P318-V482 HydrophobicContact CB-CG2 4.13Å |
| 319 | W | 91.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -33 | -176.3 | -43.9 | 128.3 | 0 | 0 | 0 | 112.7 | N317 I417 L418 Y456 P457 R458 S462 L464 K474 V482 | N317-W319 PolarHBondContact O-N 3.16Å; N317-W319 WeakPolarHBondContact OD1-CA 3.35Å; N317-W319 WeakPolarHBondContact OD1-CB 3.28Å; N317-W319 PolarHBondContact OD1-N 3.2Å; W319-I417 WeakPolarHBondContact CH2-O 3.49Å; W319-L418 HydrophobicContact CZ3-CB 4.38Å; W319-L418 HydrophobicContact CZ3-CD1 4.32Å; W319-Y456 HydrophobicContact CB-CD1 3.62Å; W319-Y456 HydrophobicContact CB-CE1 4.01Å; W319-Y456 HydrophobicContact CB-CG 4.32Å; W319-Y456 WeakPolarHBondContact O-CE1 3.44Å; W319-P457 HydrophobicContact CG-CG 4.48Å; W319-R458 PolarHBondContact NE1-O 3.47Å; W319-S462 WeakPolarHBondContact CZ2-OG 3.22Å; W319-S462 PolarHBondContact NE1-OG 3.08Å; W319-L464 HydrophobicContact CB-CD2 4.25Å; W319-L464 HydrophobicContact CD2-CB 4.04Å; W319-L464 HydrophobicContact CD2-CD2 4Å; W319-L464 HydrophobicContact CE3-CB 3.69Å; W319-L464 HydrophobicContact CE3-CD2 3.47Å; W319-L464 VanDerWaalsContact CE3-CD2 3.47Å; W319-L464 HydrophobicContact CE3-CG 4.21Å; W319-L464 HydrophobicContact CG-CD2 4.35Å; W319-L464 HydrophobicContact CH2-CB 4.01Å; W319-L464 HydrophobicContact CZ2-CB 4.36Å; W319-L464 HydrophobicContact CZ3-CB 3.68Å; W319-L464 HydrophobicContact CZ3-CD2 4.13Å; W319-K474 PolarHBondContact O-NZ 3.41Å; W319-V482 HydrophobicContact CZ3-CG2 4.21Å |
| 320 | T | 86.8 | Confident | 86.1 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 36% | 0.356 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -4.9 | 174.5 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | N317 C322 Y456 | N317-T320 VanDerWaalsContact CB-OG1 3.32Å; N317-T320 WeakPolarHBondContact CB-OG1 3.37Å; N317-T320 PolarHBondContact ND2-OG1 2.85Å; N317-T320 PolarHBondContact OD1-N 3.12Å; N317-T320 PolarHBondContact OD1-OG1 3.16Å; T320-C322 VanDerWaalsContact C-N 3.31Å; T320-C322 PolarHBondContact O-N 3.13Å; T320-C322 PolarHBondContact OG1-SG 3.3Å; T320-Y456 HydrophobicContact CG2-CD2 4.08Å; T320-Y456 HydrophobicContact CG2-CE2 3.85Å |
| 321 | A | 85.2 | Confident | 85.8 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 46.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | W316 N317 | W316-A321 VanDerWaalsContact CH2-O 3.31Å; W316-A321 WeakPolarHBondContact CH2-O 3.29Å; W316-A321 VanDerWaalsContact CZ2-C 3.42Å; W316-A321 HydrophobicContact CZ2-CB 4.19Å; N317-A321 WeakPolarHBondContact O-CA 3.43Å; N317-A321 PolarHBondContact O-N 2.88Å |
| 322 | C | 83.4 | Confident | 85.7 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 11% | 0.108 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -152.3 | 163.7 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | R38 N55 W316 N317 T320 | R38-C322 PolarHBondContact NH1-SG 3.37Å; N55-C322 HydrophobicContact CB-CB 4.45Å; W316-C322 VanDerWaalsContact CE3-C 3.48Å; N317-C322 PolarHBondContact N-O 2.85Å; N317-C322 PolarHBondContact O-N 2.82Å; T320-C322 VanDerWaalsContact C-N 3.31Å; T320-C322 PolarHBondContact O-N 3.13Å; T320-C322 PolarHBondContact OG1-SG 3.3Å |
| 323 | N | 84.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | trans | -67.2 | 151.5 | 173.4 | -61.2 | 89.6 | 0 | 0 | 0 | 111.1 | R38 N55 N315 D325 | R38-N323 PolarHBondContact NH1-O 3.02Å; R38-N323 PolarHBondContact NH2-O 2.99Å; N55-N323 WeakPolarHBondContact CA-OD1 3.21Å; N55-N323 WeakPolarHBondContact CB-OD1 3.33Å; N55-N323 PolarHBondContact N-OD1 3.24Å; N55-N323 PolarHBondContact O-OD1 3.35Å; N315-N323 WeakPolarHBondContact O-CA 3.38Å; N315-N323 WeakPolarHBondContact O-CB 3.42Å; N315-N323 PolarHBondContact O-ND2 3.18Å; N323-D325 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 324 | I | 85.7 | Confident | 85.6 | Confident | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | trans | -81.3 | -44.6 | -175.8 | -56.4 | 172.2 | 0 | 0 | 0 | 109.4 | N315 N317 E326 E329 A330 P459 Y460 | N315-I324 WeakPolarHBondContact OD1-CA 3.48Å; N315-I324 WeakPolarHBondContact OD1-CB 3.39Å; N315-I324 PolarHBondContact OD1-N 3.21Å; N317-I324 HydrophobicContact CB-CG1 4.1Å; I324-E326 WeakPolarHBondContact CG2-O 3.45Å; I324-E326 PolarHBondContact O-N 3.11Å; I324-E329 HydrophobicContact CD1-CB 4.04Å; I324-A330 HydrophobicContact CB-CB 4.06Å; I324-A330 HydrophobicContact CG2-CB 4.13Å; I324-P459 HydrophobicContact CD1-CB 3.9Å; I324-P459 HydrophobicContact CD1-CG 3.94Å; I324-P459 HydrophobicContact CG1-CG 4.5Å; I324-Y460 HydrophobicContact CD1-CE2 3.71Å; I324-Y460 WeakPolarHBondContact CD1-OH 3.13Å | ||
| 325 | D | 76.3 | Confident | 85.9 | Confident | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | trans | 61.1 | -28.2 | 175.6 | -56.1 | -26.8 | 0 | 0 | 0 | 116.8 | R38 N315 N323 | R38-D325 IonicContact CZ-OD2 2.8Å; R38-D325 IonicContact NE-OD2 3.8Å; R38-D325 IonicContact NH2-OD2 2.75Å; R38-D325 PolarHBondContact NH2-OD2 3.2Å; N315-D325 PolarHBondContact ND2-OD1 2.87Å; N315-D325 PolarHBondContact OD1-N 2.68Å; N323-D325 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 326 | E | 78.4 | Confident | 86.1 | Confident | 138 Ų | 138 | 43.7 Ų | 43.7 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -119 | 146.5 | 180 | -64 | 178.8 | -161.8 | 0 | 0 | 111.9 | I324 | I324-E326 WeakPolarHBondContact CG2-O 3.45Å; I324-E326 PolarHBondContact O-N 3.11Å |
| 327 | G | 83.1 | Confident | 86.3 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 82.6 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | E329 A330 | G327-E329 VanDerWaalsContact C-N 3.31Å; G327-E329 PolarHBondContact O-N 2.86Å; G327-A330 WeakPolarHBondContact O-CB 3.45Å; G327-A330 PolarHBondContact O-N 3.2Å |
| 328 | P | 80.9 | Confident | 86.5 | Confident | 76 Ų | 76 | 42.9 Ų | 42.9 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.7 | -30.2 | -172.9 | 25.3 | -34 | 0 | 0 | 0 | 113.6 | A330 T331 Q332 | P328-A330 PolarHBondContact O-N 3.06Å; P328-T331 PolarHBondContact O-N 2.65Å; P328-T331 PolarHBondContact O-OG1 2.95Å; P328-Q332 WeakPolarHBondContact O-CB 3.28Å; P328-Q332 VanDerWaalsContact O-CG 3.3Å; P328-Q332 WeakPolarHBondContact O-CG 3.4Å; P328-Q332 PolarHBondContact O-N 2.76Å |
| 329 | E | 82.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.3 | -16.6 | 178 | -70.1 | -170.2 | 135.7 | 0 | 0 | 113.7 | I324 G327 P459 Y460 | I324-E329 HydrophobicContact CD1-CB 4.04Å; G327-E329 VanDerWaalsContact C-N 3.31Å; G327-E329 PolarHBondContact O-N 2.86Å; E329-P459 WeakPolarHBondContact OE2-CD 3.17Å; E329-P459 WeakPolarHBondContact OE2-CG 3.32Å; E329-Y460 HydrophobicContact CB-CE2 4.04Å; E329-Y460 HydrophobicContact CG-CE2 4.48Å; E329-Y460 PolarHBondContact O-OH 3.26Å |
| 330 | A | 81.7 | Confident | 86.7 | Confident | 14 Ų | 14 | 48 Ų | 48 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -85.2 | -21.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N315 I324 G327 P328 | N315-A330 WeakPolarHBondContact CB-O 3.46Å; I324-A330 HydrophobicContact CB-CB 4.06Å; I324-A330 HydrophobicContact CG2-CB 4.13Å; G327-A330 WeakPolarHBondContact O-CB 3.45Å; G327-A330 PolarHBondContact O-N 3.2Å; P328-A330 PolarHBondContact O-N 3.06Å |
| 331 | T | 82.1 | Confident | 87.1 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 29% | 0.288 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -114.8 | -28.1 | -172.2 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | P90 P328 | P90-T331 HydrophobicContact CB-CG2 3.83Å; P90-T331 HydrophobicContact CG-CG2 4.35Å; P90-T331 WeakPolarHBondContact CG-O 3.49Å; P328-T331 PolarHBondContact O-N 2.65Å; P328-T331 PolarHBondContact O-OG1 2.95Å |
| 332 | Q | 85.9 | Confident | 87.5 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -78.2 | 144.8 | -176.8 | -68.3 | 179 | 13.7 | 0 | 0 | 112.6 | P328 H336 I337 N340 | P328-Q332 WeakPolarHBondContact O-CB 3.28Å; P328-Q332 VanDerWaalsContact O-CG 3.3Å; P328-Q332 WeakPolarHBondContact O-CG 3.4Å; P328-Q332 PolarHBondContact O-N 2.76Å; Q332-H336 HydrophobicContact CB-CB 4.48Å; Q332-H336 VanDerWaalsContact CD-ND1 3.27Å; Q332-H336 PolarHBondContact OE1-ND1 3.13Å; Q332-I337 HydrophobicContact CB-CD1 4.26Å; Q332-I337 HydrophobicContact CB-CG1 3.84Å; Q332-N340 PolarHBondContact OE1-ND2 3.21Å |
| 333 | P | 89.6 | Confident | 88 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | trans | -69.6 | 152.5 | 171 | 30.8 | -34.9 | 0 | 0 | 0 | 110.8 | S335 H336 I337 | P333-S335 PolarHBondContact O-N 3.25Å; P333-S335 VanDerWaalsContact O-N 3.07Å; P333-H336 HydrophobicContact CG-CB 4.01Å; P333-H336 PolarHBondContact O-N 3.36Å; P333-I337 PolarHBondContact O-N 3.2Å | ||
| 334 | L | 91.5 | Very high | 88.4 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.9 | -29.8 | -177.8 | -63.6 | -173.8 | 0 | 0 | 0 | 113.6 | P312 P314 S338 A413 E414 Y460 | P312-L334 HydrophobicContact CB-CD1 4.23Å; P314-L334 HydrophobicContact CG-CD2 4.5Å; P314-L334 HydrophobicContact CG-CG 4.15Å; L334-S338 VanDerWaalsContact O-CB 3.24Å; L334-S338 WeakPolarHBondContact O-CB 3.24Å; L334-S338 PolarHBondContact O-N 2.92Å; L334-S338 PolarHBondContact O-OG 3.39Å; L334-A413 HydrophobicContact CB-CB 4.18Å; L334-A413 HydrophobicContact CD2-CB 4.09Å; L334-A413 WeakPolarHBondContact O-CB 3.28Å; L334-E414 HydrophobicContact CD1-CG 4.16Å; L334-Y460 HydrophobicContact CD2-CD1 3.9Å; L334-Y460 HydrophobicContact CD2-CE1 3.64Å |
| 335 | S | 92.7 | Very high | 88.5 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 60% | 0.601 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 175.4 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | P333 S338 A339 | P333-S335 PolarHBondContact O-N 3.25Å; P333-S335 VanDerWaalsContact O-N 3.07Å; S335-S338 PolarHBondContact O-N 2.95Å; S335-A339 WeakPolarHBondContact O-CB 3.37Å; S335-A339 PolarHBondContact O-N 2.93Å |
| 336 | H | 92.9 | Very high | 89.2 | Confident | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.6 | -40.1 | 178.4 | -166.1 | -94.8 | 0 | 0 | 0 | 111.3 | Q332 P333 S338 A339 N340 | Q332-H336 HydrophobicContact CB-CB 4.48Å; Q332-H336 VanDerWaalsContact CD-ND1 3.27Å; Q332-H336 PolarHBondContact OE1-ND1 3.13Å; P333-H336 HydrophobicContact CG-CB 4.01Å; P333-H336 PolarHBondContact O-N 3.36Å; H336-S338 VanDerWaalsContact C-N 3.3Å; H336-S338 PolarHBondContact O-N 3.16Å; H336-A339 PolarHBondContact O-N 3.1Å; H336-N340 PolarHBondContact ND1-ND2 3.26Å; H336-N340 VanDerWaalsContact O-CG 3.23Å; H336-N340 PolarHBondContact O-N 3.23Å; H336-N340 PolarHBondContact O-ND2 3.21Å |
| 337 | I | 93.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 171.5 | -58.7 | 175.6 | 0 | 0 | 0 | 109.9 | Q332 P333 N340 L341 A413 Y460 | Q332-I337 HydrophobicContact CB-CD1 4.26Å; Q332-I337 HydrophobicContact CB-CG1 3.84Å; P333-I337 PolarHBondContact O-N 3.2Å; I337-N340 PolarHBondContact O-N 2.75Å; I337-L341 HydrophobicContact CG2-CD1 4.06Å; I337-L341 HydrophobicContact CG2-CG 4.4Å; I337-L341 WeakPolarHBondContact O-CB 3.44Å; I337-L341 VanDerWaalsContact O-CG 3.24Å; I337-L341 WeakPolarHBondContact O-CG 3.49Å; I337-L341 PolarHBondContact O-N 3.49Å; I337-A413 HydrophobicContact CB-CB 3.96Å; I337-A413 HydrophobicContact CG2-CB 3.77Å; I337-Y460 HydrophobicContact CD1-CD2 3.95Å; I337-Y460 HydrophobicContact CD1-CE2 3.66Å; I337-Y460 HydrophobicContact CG2-CD2 4.05Å; I337-Y460 HydrophobicContact CG2-CG 4.43Å |
| 338 | S | 95.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | L334 S335 H336 L341 A342 G410 I411 G412 A413 | L334-S338 VanDerWaalsContact O-CB 3.24Å; L334-S338 WeakPolarHBondContact O-CB 3.24Å; L334-S338 PolarHBondContact O-N 2.92Å; L334-S338 PolarHBondContact O-OG 3.39Å; S335-S338 PolarHBondContact O-N 2.95Å; H336-S338 VanDerWaalsContact C-N 3.3Å; H336-S338 PolarHBondContact O-N 3.16Å; S338-L341 PolarHBondContact O-N 3.24Å; S338-A342 WeakPolarHBondContact O-CB 3.31Å; S338-A342 PolarHBondContact O-N 3.29Å; S338-G410 WeakPolarHBondContact CB-O 3.34Å; S338-I411 VanDerWaalsContact OG-C 3.31Å; S338-G412 PolarHBondContact OG-N 2.94Å; S338-A413 VanDerWaalsContact OG-CB 3.22Å; S338-A413 WeakPolarHBondContact OG-CB 3.45Å; S338-A413 PolarHBondContact OG-N 3.08Å |
| 339 | A | 94 | Very high | 90.5 | Very high | 52 Ų | 52 | 53 Ų | 53 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S335 H336 L341 A342 D343 | S335-A339 WeakPolarHBondContact O-CB 3.37Å; S335-A339 PolarHBondContact O-N 2.93Å; H336-A339 PolarHBondContact O-N 3.1Å; A339-L341 VanDerWaalsContact C-N 3.33Å; A339-L341 PolarHBondContact O-N 3.23Å; A339-A342 PolarHBondContact O-N 3.12Å; A339-D343 PolarHBondContact O-N 3.16Å |
| 340 | N | 94.2 | Very high | 90.7 | Very high | 76 Ų | 76 | 56 Ų | 56 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.7 | -66.2 | -22.5 | 0 | 0 | 0 | 111.9 | Q332 H336 I337 A342 E344 | Q332-N340 PolarHBondContact OE1-ND2 3.21Å; H336-N340 PolarHBondContact ND1-ND2 3.26Å; H336-N340 VanDerWaalsContact O-CG 3.23Å; H336-N340 PolarHBondContact O-N 3.23Å; H336-N340 PolarHBondContact O-ND2 3.21Å; I337-N340 PolarHBondContact O-N 2.75Å; N340-A342 VanDerWaalsContact C-N 3.35Å; N340-E344 WeakPolarHBondContact O-CB 3.33Å; N340-E344 PolarHBondContact O-N 2.74Å |
| 341 | L | 94.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 59.5 Ų | 59.5 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -31.3 | 177.6 | -71.3 | 177.2 | 0 | 0 | 0 | 113.4 | I337 S338 A339 R345 L407 | I337-L341 HydrophobicContact CG2-CD1 4.06Å; I337-L341 HydrophobicContact CG2-CG 4.4Å; I337-L341 WeakPolarHBondContact O-CB 3.44Å; I337-L341 VanDerWaalsContact O-CG 3.24Å; I337-L341 WeakPolarHBondContact O-CG 3.49Å; I337-L341 PolarHBondContact O-N 3.49Å; S338-L341 PolarHBondContact O-N 3.24Å; A339-L341 VanDerWaalsContact C-N 3.33Å; A339-L341 PolarHBondContact O-N 3.23Å; L341-R345 PolarHBondContact O-N 2.9Å; L341-L407 HydrophobicContact CB-CD2 3.66Å |
| 342 | A | 93.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75 | -46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S338 A339 N340 R345 L346 | S338-A342 WeakPolarHBondContact O-CB 3.31Å; S338-A342 PolarHBondContact O-N 3.29Å; A339-A342 PolarHBondContact O-N 3.12Å; N340-A342 VanDerWaalsContact C-N 3.35Å; A342-R345 WeakPolarHBondContact O-CB 3.34Å; A342-R345 PolarHBondContact O-N 3.48Å; A342-L346 PolarHBondContact O-N 3.4Å |
| 343 | D | 93.9 | Very high | 91.6 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.4 | 179.4 | 71.9 | 0 | 0 | 0 | 112 | A339 R345 L346 R347 | A339-D343 PolarHBondContact O-N 3.16Å; D343-R345 VanDerWaalsContact C-N 3.32Å; D343-R345 PolarHBondContact O-N 3.07Å; D343-L346 PolarHBondContact O-N 3.41Å; D343-L346 VanDerWaalsContact O-N 3.13Å; D343-R347 PolarHBondContact O-N 2.72Å; D343-R347 IonicContact OD2-CZ 3.18Å; D343-R347 IonicContact OD2-NE 2.82Å; D343-R347 PolarHBondContact OD2-NE 2.83Å; D343-R347 IonicContact OD2-NH2 2.73Å; D343-R347 PolarHBondContact OD2-NH2 2.84Å |
| 344 | E | 92.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 175.4 | -175.9 | 58.3 | -147 | 0 | 0 | 112.2 | N340 R347 R348 | N340-E344 WeakPolarHBondContact O-CB 3.33Å; N340-E344 PolarHBondContact O-N 2.74Å; E344-R347 IonicContact OE2-CZ 3.22Å; E344-R347 IonicContact OE2-NH1 2.7Å; E344-R347 PolarHBondContact OE2-NH1 2.85Å; E344-R347 IonicContact OE2-NH2 2.92Å; E344-R347 PolarHBondContact OE2-NH2 3.31Å; E344-R348 WeakPolarHBondContact O-CB 3.29Å; E344-R348 WeakPolarHBondContact O-CG 3.35Å; E344-R348 PolarHBondContact O-N 3.45Å; E344-R348 VanDerWaalsContact O-N 3.13Å; E344-R348 WeakPolarHBondContact OE1-CD 3.38Å |
| 345 | R | 89.7 | Confident | 91.4 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 171.7 | 177.5 | -177.3 | 176.2 | 88.6 | -12.6 | 110.6 | L341 A342 D343 R348 L349 D404 E408 | L341-R345 PolarHBondContact O-N 2.9Å; A342-R345 WeakPolarHBondContact O-CB 3.34Å; A342-R345 PolarHBondContact O-N 3.48Å; D343-R345 VanDerWaalsContact C-N 3.32Å; D343-R345 PolarHBondContact O-N 3.07Å; R345-R348 PolarHBondContact O-N 3.15Å; R345-L349 HydrophobicContact CG-CD1 4.01Å; R345-L349 HydrophobicContact CG-CG 4.44Å; R345-L349 VanDerWaalsContact O-CG 3.32Å; R345-L349 WeakPolarHBondContact O-CG 3.34Å; R345-L349 PolarHBondContact O-N 3.4Å; R345-D404 VanDerWaalsContact CZ-CG 3.42Å; R345-D404 IonicContact CZ-OD1 2.7Å; R345-D404 IonicContact CZ-OD2 3.74Å; R345-D404 IonicContact NH1-OD1 2.74Å; R345-D404 PolarHBondContact NH1-OD1 3.26Å; R345-D404 IonicContact NH1-OD2 2.96Å; R345-D404 PolarHBondContact NH1-OD2 3Å; R345-D404 VanDerWaalsContact NH2-CB 3.32Å; R345-D404 IonicContact NH2-OD1 3.56Å; R345-D404 IonicContact NH2-OD2 3.91Å; R345-D404 PolarHBondContact NH2-OD2 3.19Å; R345-E408 IonicContact CZ-OE1 2.71Å; R345-E408 IonicContact NE-OE1 3.93Å; R345-E408 IonicContact NH2-OE1 3.36Å; R345-E408 PolarHBondContact NH2-OE1 3.2Å |
| 346 | L | 90 | Very high | 91.2 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | -177.1 | -156.6 | 80.3 | 0 | 0 | 0 | 111.4 | A342 D343 R348 L349 D350 | A342-L346 PolarHBondContact O-N 3.4Å; D343-L346 PolarHBondContact O-N 3.41Å; D343-L346 VanDerWaalsContact O-N 3.13Å; L346-R348 VanDerWaalsContact C-N 3.29Å; L346-R348 PolarHBondContact O-N 3.42Å; L346-L349 PolarHBondContact O-N 3.1Å; L346-L349 VanDerWaalsContact O-N 3.13Å; L346-D350 PolarHBondContact O-N 2.8Å |
| 347 | R | 92.3 | Very high | 91 | Very high | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.445 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.9 | -40.5 | 175.5 | -90.2 | -172.4 | -72.7 | 103.1 | 5.3 | 112.5 | D343 E344 S351 | D343-R347 PolarHBondContact O-N 2.72Å; D343-R347 IonicContact OD2-CZ 3.18Å; D343-R347 IonicContact OD2-NE 2.82Å; D343-R347 PolarHBondContact OD2-NE 2.83Å; D343-R347 IonicContact OD2-NH2 2.73Å; D343-R347 PolarHBondContact OD2-NH2 2.84Å; E344-R347 IonicContact OE2-CZ 3.22Å; E344-R347 IonicContact OE2-NH1 2.7Å; E344-R347 PolarHBondContact OE2-NH1 2.85Å; E344-R347 IonicContact OE2-NH2 2.92Å; E344-R347 PolarHBondContact OE2-NH2 3.31Å; R347-S351 VanDerWaalsContact O-CB 3.27Å; R347-S351 WeakPolarHBondContact O-CB 3.38Å; R347-S351 PolarHBondContact O-N 2.96Å; R347-S351 PolarHBondContact O-OG 3.41Å |
| 348 | R | 90.9 | Very high | 90.7 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.3 | -36.6 | 178 | -73.4 | -177.6 | 62 | -131 | -7.8 | 112.7 | E344 R345 L346 D352 L355 R438 G439 E440 | E344-R348 WeakPolarHBondContact O-CB 3.29Å; E344-R348 WeakPolarHBondContact O-CG 3.35Å; E344-R348 PolarHBondContact O-N 3.45Å; E344-R348 VanDerWaalsContact O-N 3.13Å; E344-R348 WeakPolarHBondContact OE1-CD 3.38Å; R345-R348 PolarHBondContact O-N 3.15Å; L346-R348 VanDerWaalsContact C-N 3.29Å; L346-R348 PolarHBondContact O-N 3.42Å; R348-D352 WeakPolarHBondContact O-CB 3.38Å; R348-D352 PolarHBondContact O-N 3.35Å; R348-L355 HydrophobicContact CB-CD2 4.11Å; R348-R438 PolarHBondContact NH2-O 3.13Å; R348-G439 PolarHBondContact NH2-O 3.05Å; R348-E440 IonicContact CZ-OE1 3.62Å; R348-E440 IonicContact NH1-OE1 3.47Å; R348-E440 PolarHBondContact NH1-OE1 3.24Å |
| 349 | L | 86.5 | Confident | 90.4 | Very high | 35 Ų | 35 | 66.6 Ų | 66.6 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 173.4 | -67.6 | 174.1 | 0 | 0 | 0 | 112.2 | R345 L346 L355 R356 M359 | R345-L349 HydrophobicContact CG-CD1 4.01Å; R345-L349 HydrophobicContact CG-CG 4.44Å; R345-L349 VanDerWaalsContact O-CG 3.32Å; R345-L349 WeakPolarHBondContact O-CG 3.34Å; R345-L349 PolarHBondContact O-N 3.4Å; L346-L349 PolarHBondContact O-N 3.1Å; L346-L349 VanDerWaalsContact O-N 3.13Å; L349-L355 HydrophobicContact CD2-CD2 3.88Å; L349-L355 HydrophobicContact CD2-CG 4.04Å; L349-R356 WeakPolarHBondContact O-CD 3.21Å; L349-R356 PolarHBondContact O-NE 3.23Å; L349-M359 HydrophobicContact CD2-SD 3.32Å; L349-M359 WeakPolarHBondContact CD2-SD 3.26Å |
| 350 | D | 87 | Confident | 90.2 | Very high | 118 Ų | 118 | 69.2 Ų | 69.2 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.8 | -36.6 | 178.2 | -75.3 | -19.3 | 0 | 0 | 0 | 112.8 | L346 R356 | L346-D350 PolarHBondContact O-N 2.8Å; D350-R356 PolarHBondContact O-NH2 3.4Å |
| 351 | S | 89.3 | Confident | 89.8 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -90.1 | -23 | -174.9 | 59.7 | 0 | 0 | 0 | 0 | 115.9 | R347 P353 | R347-S351 VanDerWaalsContact O-CB 3.27Å; R347-S351 WeakPolarHBondContact O-CB 3.38Å; R347-S351 PolarHBondContact O-N 2.96Å; R347-S351 PolarHBondContact O-OG 3.41Å; S351-P353 WeakPolarHBondContact O-CD 3.41Å |
| 352 | D | 89.7 | Confident | 89.5 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | trans | -107 | 108.4 | -174.9 | -174.2 | -15.4 | 0 | 0 | 0 | 112.1 | R348 Q354 L355 R356 | R348-D352 WeakPolarHBondContact O-CB 3.38Å; R348-D352 PolarHBondContact O-N 3.35Å; D352-Q354 WeakPolarHBondContact OD1-CA 3.46Å; D352-Q354 VanDerWaalsContact OD1-CB 3.32Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.25Å; D352-Q354 PolarHBondContact OD1-N 3.03Å; D352-L355 HydrophobicContact CB-CB 3.77Å; D352-L355 VanDerWaalsContact CG-CB 3.48Å; D352-L355 PolarHBondContact OD1-N 3.4Å; D352-L355 WeakPolarHBondContact OD2-CB 3.43Å; D352-R356 PolarHBondContact O-N 3.37Å | ||
| 353 | P | 88.7 | Confident | 89.3 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -70.6 | -28.2 | 175.7 | -17.3 | 32.3 | 0 | 0 | 0 | 113.5 | S351 R356 S357 | S351-P353 WeakPolarHBondContact O-CD 3.41Å; P353-R356 PolarHBondContact O-N 3.11Å; P353-S357 PolarHBondContact O-N 2.86Å |
| 354 | Q | 88.2 | Confident | 88.9 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 178.8 | -175.8 | 176.4 | -10.8 | 0 | 0 | 110 | D352 R356 S357 L358 | D352-Q354 WeakPolarHBondContact OD1-CA 3.46Å; D352-Q354 VanDerWaalsContact OD1-CB 3.32Å; D352-Q354 WeakPolarHBondContact OD1-CB 3.25Å; D352-Q354 PolarHBondContact OD1-N 3.03Å; Q354-R356 VanDerWaalsContact C-N 3.33Å; Q354-R356 PolarHBondContact O-N 3.17Å; Q354-S357 PolarHBondContact O-N 2.88Å; Q354-L358 HydrophobicContact CG-CD1 4.31Å; Q354-L358 VanDerWaalsContact O-CG 3.3Å; Q354-L358 WeakPolarHBondContact O-CG 3.38Å; Q354-L358 PolarHBondContact O-N 2.87Å |
| 355 | L | 89.3 | Confident | 88.5 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 172.3 | -178.5 | 57 | 0 | 0 | 0 | 112.1 | R348 L349 D352 L358 M359 R438 | R348-L355 HydrophobicContact CB-CD2 4.11Å; L349-L355 HydrophobicContact CD2-CD2 3.88Å; L349-L355 HydrophobicContact CD2-CG 4.04Å; D352-L355 HydrophobicContact CB-CB 3.77Å; D352-L355 VanDerWaalsContact CG-CB 3.48Å; D352-L355 PolarHBondContact OD1-N 3.4Å; D352-L355 WeakPolarHBondContact OD2-CB 3.43Å; L355-L358 PolarHBondContact O-N 3.46Å; L355-M359 PolarHBondContact O-N 3.46Å; L355-R438 VanDerWaalsContact CD1-C 3.46Å |
| 356 | R | 88.1 | Confident | 88.3 | Confident | 122 Ų | 122 | 72.8 Ų | 72.8 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 174.1 | -81.7 | -176.6 | -89.6 | 161.6 | -8.5 | 112.3 | L349 D350 D352 P353 Q354 L358 M359 D360 | L349-R356 WeakPolarHBondContact O-CD 3.21Å; L349-R356 PolarHBondContact O-NE 3.23Å; D350-R356 PolarHBondContact O-NH2 3.4Å; D352-R356 PolarHBondContact O-N 3.37Å; P353-R356 PolarHBondContact O-N 3.11Å; Q354-R356 VanDerWaalsContact C-N 3.33Å; Q354-R356 PolarHBondContact O-N 3.17Å; R356-L358 PolarHBondContact O-N 3.3Å; R356-M359 WeakPolarHBondContact O-CB 3.29Å; R356-M359 PolarHBondContact O-N 3.31Å; R356-D360 PolarHBondContact O-N 2.97Å |
| 357 | S | 89.3 | Confident | 88.3 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.5 | -36.9 | 174.3 | -170 | 0 | 0 | 0 | 0 | 112.8 | P353 Q354 D360 E361 | P353-S357 PolarHBondContact O-N 2.86Å; Q354-S357 PolarHBondContact O-N 2.88Å; S357-D360 PolarHBondContact O-N 2.69Å; S357-E361 PolarHBondContact O-N 2.83Å |
| 358 | L | 88.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72 | -29.1 | 176.6 | -70.2 | 166 | 0 | 0 | 0 | 112.9 | Q354 L355 R356 R362 Y436 | Q354-L358 HydrophobicContact CG-CD1 4.31Å; Q354-L358 VanDerWaalsContact O-CG 3.3Å; Q354-L358 WeakPolarHBondContact O-CG 3.38Å; Q354-L358 PolarHBondContact O-N 2.87Å; L355-L358 PolarHBondContact O-N 3.46Å; R356-L358 PolarHBondContact O-N 3.3Å; L358-R362 WeakPolarHBondContact O-CD 3.48Å; L358-R362 WeakPolarHBondContact O-CG 3.41Å; L358-R362 PolarHBondContact O-N 3.3Å; L358-R362 VanDerWaalsContact O-N 3.09Å; L358-Y436 HydrophobicContact CD1-CE1 4.38Å; L358-Y436 WeakPolarHBondContact CD1-O 3.44Å; L358-Y436 HydrophobicContact CD2-CD1 4.24Å; L358-Y436 HydrophobicContact CD2-CE1 3.45Å; L358-Y436 VanDerWaalsContact CD2-CE1 3.45Å |
| 359 | M | 89.2 | Confident | 88.3 | Confident | 60 Ų | 60 | 67 Ų | 67 | 30% | 0.296 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.8 | -38.4 | 170.4 | -71.6 | -164.5 | 68 | 0 | 0 | 112.1 | L349 L355 R356 R362 A363 | L349-M359 HydrophobicContact CD2-SD 3.32Å; L349-M359 WeakPolarHBondContact CD2-SD 3.26Å; L355-M359 PolarHBondContact O-N 3.46Å; R356-M359 WeakPolarHBondContact O-CB 3.29Å; R356-M359 PolarHBondContact O-N 3.31Å; M359-R362 PolarHBondContact O-N 3.27Å; M359-A363 WeakPolarHBondContact O-CB 3.31Å; M359-A363 PolarHBondContact O-N 3.46Å |
| 360 | D | 88.5 | Confident | 88.7 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 57% | 0.572 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.4 | -35.8 | 175.3 | -66.5 | -32.4 | 0 | 0 | 0 | 112.1 | R356 S357 Q364 | R356-D360 PolarHBondContact O-N 2.97Å; S357-D360 PolarHBondContact O-N 2.69Å; D360-Q364 WeakPolarHBondContact O-CG 3.39Å; D360-Q364 PolarHBondContact O-NE2 3.3Å |
| 361 | E | 86 | Confident | 89.1 | Confident | 89 Ų | 89 | 66 Ų | 66 | 42% | 0.416 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 167.7 | -77.8 | -177.7 | -159.3 | 0 | 0 | 111.7 | S357 A363 Q364 | S357-E361 PolarHBondContact O-N 2.83Å; E361-A363 VanDerWaalsContact C-N 3.27Å; E361-A363 PolarHBondContact O-N 3.34Å; E361-Q364 PolarHBondContact O-N 3.14Å |
| 362 | R | 89.1 | Confident | 89.4 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 6% | 0.06 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -33.5 | -179.2 | -73.1 | 165.9 | 63.7 | -156.5 | -9.8 | 112.5 | L358 M359 Q364 L365 D404 E437 | L358-R362 WeakPolarHBondContact O-CD 3.48Å; L358-R362 WeakPolarHBondContact O-CG 3.41Å; L358-R362 PolarHBondContact O-N 3.3Å; L358-R362 VanDerWaalsContact O-N 3.09Å; M359-R362 PolarHBondContact O-N 3.27Å; R362-Q364 PolarHBondContact O-N 3.14Å; R362-L365 WeakPolarHBondContact O-CB 3.23Å; R362-L365 PolarHBondContact O-N 2.72Å; R362-D404 IonicContact NH2-OD2 2.73Å; R362-E437 HydrophobicContact CG-CG 4.32Å; R362-E437 IonicContact NE-OE2 2.71Å |
| 363 | A | 88.9 | Confident | 89.7 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -22.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M359 E361 N368 | M359-A363 WeakPolarHBondContact O-CB 3.31Å; M359-A363 PolarHBondContact O-N 3.46Å; E361-A363 VanDerWaalsContact C-N 3.27Å; E361-A363 PolarHBondContact O-N 3.34Å; A363-N368 WeakPolarHBondContact CA-ND2 3.46Å; A363-N368 PolarHBondContact O-ND2 2.82Å |
| 364 | Q | 86.1 | Confident | 90.1 | Very high | 158 Ų | 158 | 63.4 Ų | 63.4 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -9 | 178.9 | -64.9 | 166.4 | 57.2 | 0 | 0 | 113.6 | D360 E361 R362 | D360-Q364 WeakPolarHBondContact O-CG 3.39Å; D360-Q364 PolarHBondContact O-NE2 3.3Å; E361-Q364 PolarHBondContact O-N 3.14Å; R362-Q364 PolarHBondContact O-N 3.14Å |
| 365 | L | 84.4 | Confident | 90.5 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.8 | 139.6 | -178.3 | -66.2 | 172.4 | 0 | 0 | 0 | 111.6 | R362 V367 N368 Q397 | R362-L365 WeakPolarHBondContact O-CB 3.23Å; R362-L365 PolarHBondContact O-N 2.72Å; L365-V367 HydrophobicContact CB-CG1 4.34Å; L365-V367 PolarHBondContact O-N 3.25Å; L365-N368 VanDerWaalsContact O-CB 3.32Å; L365-N368 WeakPolarHBondContact O-CB 3.33Å; L365-N368 PolarHBondContact O-N 2.86Å; L365-Q397 HydrophobicContact CD1-CG 3.57Å |
| 366 | P | 84.6 | Confident | 90.8 | Very high | 34 Ų | 34 | 61 Ų | 61 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.7 | -174.3 | -24.4 | 32 | 0 | 0 | 0 | 116.2 | P369 C392 G542 | P366-P369 WeakPolarHBondContact O-CD 3.2Å; P366-C392 HydrophobicContact CB-CB 4.07Å; P366-C392 WeakPolarHBondContact CD-O 3.28Å; P366-C392 HydrophobicContact CG-CB 4.4Å; P366-G542 WeakPolarHBondContact CB-O 3.35Å |
| 367 | V | 90.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -19.6 | 172.3 | 67.5 | 0 | 0 | 0 | 0 | 114 | L365 Y370 R371 I374 C392 Q397 I398 F401 I540 | L365-V367 HydrophobicContact CB-CG1 4.34Å; L365-V367 PolarHBondContact O-N 3.25Å; V367-Y370 WeakPolarHBondContact O-CB 3.08Å; V367-Y370 PolarHBondContact O-N 3.46Å; V367-R371 PolarHBondContact O-N 3.35Å; V367-I374 HydrophobicContact CG2-CD1 3.61Å; V367-C392 WeakPolarHBondContact CB-O 3.29Å; V367-C392 VanDerWaalsContact CG1-O 3.31Å; V367-C392 WeakPolarHBondContact CG1-O 3.45Å; V367-C392 PolarHBondContact N-O 3.12Å; V367-Q397 HydrophobicContact CG1-CB 3.71Å; V367-Q397 HydrophobicContact CG1-CG 3.75Å; V367-I398 HydrophobicContact CG2-CD1 4.45Å; V367-I398 HydrophobicContact CG2-CG1 4.26Å; V367-F401 HydrophobicContact CG1-CE2 4.35Å; V367-F401 HydrophobicContact CG1-CZ 4.43Å; V367-F401 HydrophobicContact CG2-CE2 4.24Å; V367-I540 HydrophobicContact CB-CG2 4.49Å; V367-I540 HydrophobicContact CG2-CD1 3.72Å |
| 368 | N | 91.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -64.4 | -40.1 | -174 | -174.7 | 50.1 | 0 | 0 | 0 | 114.6 | A363 L365 Y370 R371 F401 | A363-N368 WeakPolarHBondContact CA-ND2 3.46Å; A363-N368 PolarHBondContact O-ND2 2.82Å; L365-N368 VanDerWaalsContact O-CB 3.32Å; L365-N368 WeakPolarHBondContact O-CB 3.33Å; L365-N368 PolarHBondContact O-N 2.86Å; N368-Y370 PolarHBondContact O-N 3.1Å; N368-Y370 VanDerWaalsContact O-N 3.1Å; N368-R371 WeakPolarHBondContact O-CB 3.18Å; N368-R371 PolarHBondContact O-N 2.71Å; N368-F401 HydrophobicContact CB-CZ 4.35Å |
| 369 | P | 92 | Very high | 91.8 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 68% | 0.682 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -55.1 | -27.4 | 170.6 | -27.4 | 36.3 | 0 | 0 | 0 | 113.9 | P366 | P366-P369 WeakPolarHBondContact O-CD 3.2Š|
| 370 | Y | 94 | Very high | 92 | Very high | 62 Ų | 62 | 64.2 Ų | 64.2 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -89.5 | 2 | 179.3 | -60.9 | -96.8 | 0 | 0 | 0 | 113.3 | V367 N368 V372 S373 I374 I540 E541 | V367-Y370 WeakPolarHBondContact O-CB 3.08Å; V367-Y370 PolarHBondContact O-N 3.46Å; N368-Y370 PolarHBondContact O-N 3.1Å; N368-Y370 VanDerWaalsContact O-N 3.1Å; Y370-V372 VanDerWaalsContact C-N 3.26Å; Y370-V372 PolarHBondContact O-N 2.64Å; Y370-V372 VanDerWaalsContact O-N 3.17Å; Y370-S373 PolarHBondContact O-N 3.33Å; Y370-S373 PolarHBondContact O-OG 3Å; Y370-S373 VanDerWaalsContact O-OG 3.09Å; Y370-I374 VanDerWaalsContact O-CB 3.32Å; Y370-I374 WeakPolarHBondContact O-CB 3.43Å; Y370-I374 WeakPolarHBondContact O-CD1 3.39Å; Y370-I374 VanDerWaalsContact O-CG1 3.25Å; Y370-I374 WeakPolarHBondContact O-CG1 3.42Å; Y370-I374 PolarHBondContact O-N 3.02Å; Y370-I540 HydrophobicContact CD2-CG2 3.77Å; Y370-I540 HydrophobicContact CE2-CG2 3.96Å; Y370-I540 HydrophobicContact CG-CG1 4.33Å; Y370-I540 HydrophobicContact CG-CG2 4.27Å; Y370-E541 VanDerWaalsContact CE2-O 3.24Å; Y370-E541 WeakPolarHBondContact CE2-O 3.49Å; Y370-E541 WeakPolarHBondContact OH-CB 3.38Å; Y370-E541 PolarHBondContact OH-N 3.28Å; Y370-E541 PolarHBondContact OH-O 3.2Å |
| 371 | R | 95.2 | Very high | 92.3 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 26% | 0.26 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -49.6 | -45.8 | -178.9 | 178.5 | 177.5 | 179.8 | -151.1 | -4.9 | 112.1 | V367 N368 L375 F401 E408 | V367-R371 PolarHBondContact O-N 3.35Å; N368-R371 WeakPolarHBondContact O-CB 3.18Å; N368-R371 PolarHBondContact O-N 2.71Å; R371-L375 HydrophobicContact CG-CD1 3.98Å; R371-L375 WeakPolarHBondContact O-CB 3.36Å; R371-L375 WeakPolarHBondContact O-CD1 3.37Å; R371-L375 WeakPolarHBondContact O-CG 3.46Å; R371-L375 PolarHBondContact O-N 3.02Å; R371-L375 VanDerWaalsContact O-N 3.1Å; R371-F401 HydrophobicContact CB-CD2 3.97Å; R371-F401 HydrophobicContact CB-CE2 3.75Å; R371-F401 HydrophobicContact CB-CG 4.46Å; R371-F401 HydrophobicContact CB-CZ 4.06Å; R371-F401 HydrophobicContact CG-CB 4.35Å; R371-F401 HydrophobicContact CG-CD1 4.08Å; R371-F401 HydrophobicContact CG-CD2 3.84Å; R371-F401 HydrophobicContact CG-CE1 4.29Å; R371-F401 HydrophobicContact CG-CE2 4.05Å; R371-F401 HydrophobicContact CG-CG 3.85Å; R371-F401 HydrophobicContact CG-CZ 4.27Å; R371-E408 IonicContact CZ-OE2 2.83Å; R371-E408 IonicContact NH1-OE2 3Å; R371-E408 IonicContact NH2-OE1 2.66Å; R371-E408 IonicContact NH2-OE2 2.64Å; R371-E408 PolarHBondContact NH2-OE2 3Å |
| 372 | V | 95.9 | Very high | 92.7 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 71% | 0.709 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71.8 | -45.2 | -176.5 | -177.4 | 0 | 0 | 0 | 0 | 112 | Y370 L375 E376 | Y370-V372 VanDerWaalsContact C-N 3.26Å; Y370-V372 PolarHBondContact O-N 2.64Å; Y370-V372 VanDerWaalsContact O-N 3.17Å; V372-L375 PolarHBondContact O-N 3.27Å; V372-E376 WeakPolarHBondContact O-CB 3.38Å; V372-E376 PolarHBondContact O-N 3.42Å |
| 373 | S | 95.6 | Very high | 93 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.4 | -38 | -179.7 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | Y370 E376 A377 | Y370-S373 PolarHBondContact O-N 3.33Å; Y370-S373 PolarHBondContact O-OG 3Å; Y370-S373 VanDerWaalsContact O-OG 3.09Å; S373-E376 PolarHBondContact O-N 3.31Å; S373-A377 WeakPolarHBondContact O-CB 3.41Å; S373-A377 PolarHBondContact O-N 3.41Å |
| 374 | I | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 171.7 | -70.3 | 166.5 | 0 | 0 | 0 | 110.5 | V367 Y370 E376 A377 V378 I386 I398 L538 I540 | V367-I374 HydrophobicContact CG2-CD1 3.61Å; Y370-I374 VanDerWaalsContact O-CB 3.32Å; Y370-I374 WeakPolarHBondContact O-CB 3.43Å; Y370-I374 WeakPolarHBondContact O-CD1 3.39Å; Y370-I374 VanDerWaalsContact O-CG1 3.25Å; Y370-I374 WeakPolarHBondContact O-CG1 3.42Å; Y370-I374 PolarHBondContact O-N 3.02Å; I374-E376 VanDerWaalsContact C-N 3.32Å; I374-E376 PolarHBondContact O-N 3.49Å; I374-A377 PolarHBondContact O-N 3.45Å; I374-V378 WeakPolarHBondContact O-CB 3.36Å; I374-V378 VanDerWaalsContact O-CG2 3.31Å; I374-V378 WeakPolarHBondContact O-CG2 3.34Å; I374-V378 PolarHBondContact O-N 2.97Å; I374-I386 HydrophobicContact CG1-CD1 4.4Å; I374-I386 HydrophobicContact CG2-CD1 3.82Å; I374-I398 HydrophobicContact CD1-CD1 4.35Å; I374-I398 HydrophobicContact CD1-CG1 4.3Å; I374-I398 HydrophobicContact CG2-CG1 4.42Å; I374-I398 HydrophobicContact CG2-CG2 4.22Å; I374-L538 HydrophobicContact CB-CD1 4.42Å; I374-L538 HydrophobicContact CG1-CD1 3.96Å; I374-I540 HydrophobicContact CD1-CD1 4.03Å; I374-I540 HydrophobicContact CD1-CG1 4.29Å |
| 375 | L | 97.3 | Very high | 93.8 | Very high | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | -179.7 | -77.6 | 171.1 | 0 | 0 | 0 | 112.4 | R371 V372 R379 F401 I402 | R371-L375 HydrophobicContact CG-CD1 3.98Å; R371-L375 WeakPolarHBondContact O-CB 3.36Å; R371-L375 WeakPolarHBondContact O-CD1 3.37Å; R371-L375 WeakPolarHBondContact O-CG 3.46Å; R371-L375 PolarHBondContact O-N 3.02Å; R371-L375 VanDerWaalsContact O-N 3.1Å; V372-L375 PolarHBondContact O-N 3.27Å; L375-R379 WeakPolarHBondContact O-CB 3.31Å; L375-R379 PolarHBondContact O-N 3.08Å; L375-F401 HydrophobicContact CD2-CB 4.44Å; L375-I402 HydrophobicContact CD2-CG1 4.11Å |
| 376 | E | 96.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -74.6 | -35.3 | -178.8 | -167.4 | 64.3 | 179.7 | 0 | 0 | 112.7 | V372 S373 I374 R379 R380 | V372-E376 WeakPolarHBondContact O-CB 3.38Å; V372-E376 PolarHBondContact O-N 3.42Å; S373-E376 PolarHBondContact O-N 3.31Å; I374-E376 VanDerWaalsContact C-N 3.32Å; I374-E376 PolarHBondContact O-N 3.49Å; E376-R379 PolarHBondContact O-N 3.06Å; E376-R379 IonicContact OE2-CZ 3.18Å; E376-R379 IonicContact OE2-NH1 3.04Å; E376-R379 PolarHBondContact OE2-NH1 3.01Å; E376-R380 WeakPolarHBondContact O-CB 3.29Å; E376-R380 VanDerWaalsContact O-CG 3.31Å; E376-R380 WeakPolarHBondContact O-CG 3.47Å; E376-R380 PolarHBondContact O-N 3.24Å; E376-R380 IonicContact OE1-CZ 3.56Å; E376-R380 IonicContact OE1-NE 3.66Å; E376-R380 PolarHBondContact OE1-NE 2.78Å; E376-R380 IonicContact OE1-NH2 2.88Å; E376-R380 PolarHBondContact OE1-NH2 2.71Å |
| 377 | A | 96 | Very high | 94.5 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S373 I374 R379 R380 N381 T384 T536 L538 | S373-A377 WeakPolarHBondContact O-CB 3.41Å; S373-A377 PolarHBondContact O-N 3.41Å; I374-A377 PolarHBondContact O-N 3.45Å; A377-R379 VanDerWaalsContact C-N 3.33Å; A377-R379 PolarHBondContact O-N 3.49Å; A377-R380 PolarHBondContact O-N 2.97Å; A377-N381 WeakPolarHBondContact O-CB 3.49Å; A377-N381 PolarHBondContact O-N 2.83Å; A377-N381 PolarHBondContact O-ND2 2.8Å; A377-T384 HydrophobicContact CB-CG2 3.94Å; A377-T384 PolarHBondContact O-OG1 3.22Å; A377-T536 HydrophobicContact CB-CG2 4.09Å; A377-L538 HydrophobicContact CB-CD1 3.63Å; A377-L538 HydrophobicContact CB-CG 4.19Å |
| 378 | V | 96.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -33.8 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | I374 T384 I402 R515 V517 | I374-V378 WeakPolarHBondContact O-CB 3.36Å; I374-V378 VanDerWaalsContact O-CG2 3.31Å; I374-V378 WeakPolarHBondContact O-CG2 3.34Å; I374-V378 PolarHBondContact O-N 2.97Å; V378-T384 HydrophobicContact CG2-CG2 4.25Å; V378-I402 HydrophobicContact CG1-CD1 4.2Å; V378-R515 HydrophobicContact CG1-CB 4.42Å; V378-R515 WeakPolarHBondContact O-CD 3.4Å; V378-R515 PolarHBondContact O-NE 3.45Å; V378-R515 VanDerWaalsContact O-NE 3.07Å; V378-V517 HydrophobicContact CG1-CG2 4.04Å; V378-V517 HydrophobicContact CG2-CG2 3.81Å |
| 379 | R | 94.2 | Very high | 93.5 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -48.8 | 174.2 | -176.6 | 176.6 | -67.7 | 113.9 | 2.4 | 111.7 | L375 E376 A377 S405 R515 | L375-R379 WeakPolarHBondContact O-CB 3.31Å; L375-R379 PolarHBondContact O-N 3.08Å; E376-R379 PolarHBondContact O-N 3.06Å; E376-R379 IonicContact OE2-CZ 3.18Å; E376-R379 IonicContact OE2-NH1 3.04Å; E376-R379 PolarHBondContact OE2-NH1 3.01Å; A377-R379 VanDerWaalsContact C-N 3.33Å; A377-R379 PolarHBondContact O-N 3.49Å; R379-S405 PolarHBondContact NH2-OG 3.34Å; R379-R515 PolarHBondContact O-NE 3.31Å; R379-R515 PolarHBondContact O-NH2 3.36Å |
| 380 | R | 93.8 | Very high | 92.7 | Very high | 182 Ų | 182 | 48.2 Ų | 48.2 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -75.9 | -40.3 | -174.6 | -69.1 | -179.7 | -174.1 | -165.5 | 5.8 | 114 | E376 A377 | E376-R380 WeakPolarHBondContact O-CB 3.29Å; E376-R380 VanDerWaalsContact O-CG 3.31Å; E376-R380 WeakPolarHBondContact O-CG 3.47Å; E376-R380 PolarHBondContact O-N 3.24Å; E376-R380 IonicContact OE1-CZ 3.56Å; E376-R380 IonicContact OE1-NE 3.66Å; E376-R380 PolarHBondContact OE1-NE 2.78Å; E376-R380 IonicContact OE1-NH2 2.88Å; E376-R380 PolarHBondContact OE1-NH2 2.71Å; A377-R380 PolarHBondContact O-N 2.97Å |
| 381 | N | 94.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | trans | -100.8 | 145.5 | -170 | -60.8 | -86.9 | 0 | 0 | 0 | 112.4 | A377 V383 R515 T536 | A377-N381 WeakPolarHBondContact O-CB 3.49Å; A377-N381 PolarHBondContact O-N 2.83Å; A377-N381 PolarHBondContact O-ND2 2.8Å; N381-V383 VanDerWaalsContact C-N 3.34Å; N381-R515 WeakPolarHBondContact O-CD 3.28Å; N381-R515 PolarHBondContact O-NE 2.75Å; N381-T536 WeakPolarHBondContact ND2-CB 3.37Å; N381-T536 PolarHBondContact ND2-OG1 3.43Å; N381-T536 PolarHBondContact OD1-OG1 3.11Å | ||
| 382 | K | 93.9 | Very high | 91 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -65.7 | -38.3 | 170.5 | -66.9 | -170.5 | 175.9 | -165 | 0 | 112.7 | V508 R509 L516 | K382-V508 VanDerWaalsContact CD-O 3.31Å; K382-V508 WeakPolarHBondContact CD-O 3.43Å; K382-V508 PolarHBondContact NZ-O 3.26Å; K382-R509 PolarHBondContact NZ-O 2.83Å; K382-R509 VanDerWaalsContact NZ-O 3.13Å; K382-L516 PolarHBondContact O-N 3.09Å |
| 383 | V | 96.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.9 | -178.1 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | N381 V508 L516 L518 F532 C535 T536 | N381-V383 VanDerWaalsContact C-N 3.34Å; V383-V508 HydrophobicContact CG2-CG2 3.77Å; V383-L516 WeakPolarHBondContact CA-O 3.48Å; V383-L516 HydrophobicContact CG1-CD2 4.27Å; V383-L516 HydrophobicContact CG1-CG 4.49Å; V383-L516 HydrophobicContact CG2-CB 4.35Å; V383-L516 HydrophobicContact CG2-CD2 4.21Å; V383-L518 HydrophobicContact CG1-CD1 4.15Å; V383-F532 HydrophobicContact CG1-CB 4.31Å; V383-F532 HydrophobicContact CG1-CD1 4.2Å; V383-F532 HydrophobicContact CG1-CG 4.16Å; V383-F532 HydrophobicContact CG2-CD1 4.05Å; V383-C535 HydrophobicContact CB-CB 3.71Å; V383-C535 HydrophobicContact CG1-CB 3.8Å; V383-C535 WeakPolarHBondContact O-CA 3.43Å; V383-T536 PolarHBondContact O-N 3Å; V383-T536 VanDerWaalsContact O-N 3.16Å |
| 384 | T | 96.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.3 | 173.2 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | A377 V378 I386 L516 V517 L518 T536 L538 | A377-T384 HydrophobicContact CB-CG2 3.94Å; A377-T384 PolarHBondContact O-OG1 3.22Å; V378-T384 HydrophobicContact CG2-CG2 4.25Å; T384-I386 HydrophobicContact CG2-CD1 4.33Å; T384-I386 HydrophobicContact CG2-CG1 3.87Å; T384-L516 PolarHBondContact N-O 2.69Å; T384-V517 WeakPolarHBondContact O-CA 3.31Å; T384-L518 PolarHBondContact O-N 2.92Å; T384-T536 CarbonylContact C-O 3.52Å; T384-T536 WeakPolarHBondContact CA-O 3.49Å; T384-L538 HydrophobicContact CG2-CD1 4.36Å |
| 385 | I | 95 | Very high | 90 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.2 | 171.4 | -55.1 | 178.5 | 0 | 0 | 0 | 107.5 | L518 I525 F528 T536 V537 L538 | I385-L518 CarbonylContact C-O 3.57Å; I385-L518 WeakPolarHBondContact CA-O 3.25Å; I385-L518 HydrophobicContact CG1-CB 4.34Å; I385-L518 HydrophobicContact CG1-CD1 4.26Å; I385-I525 HydrophobicContact CD1-CG2 4.2Å; I385-I525 HydrophobicContact CG2-CG2 4.29Å; I385-F528 HydrophobicContact CD1-CB 3.99Å; I385-T536 PolarHBondContact N-O 3.29Å; I385-V537 HydrophobicContact CB-CG2 4.41Å; I385-V537 HydrophobicContact CD1-CG2 4.5Å; I385-V537 CarbonylContact O-C 3.6Å; I385-V537 WeakPolarHBondContact O-CA 3.43Å; I385-L538 PolarHBondContact O-N 3.26Å |
| 386 | I | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107 | 179.4 | -56.1 | -179.3 | 0 | 0 | 0 | 109 | I374 T384 K394 I398 V517 L518 M519 S520 I540 | I374-I386 HydrophobicContact CG1-CD1 4.4Å; I374-I386 HydrophobicContact CG2-CD1 3.82Å; T384-I386 HydrophobicContact CG2-CD1 4.33Å; T384-I386 HydrophobicContact CG2-CG1 3.87Å; I386-K394 HydrophobicContact CG2-CD 4.46Å; I386-I398 HydrophobicContact CB-CD1 4.5Å; I386-I398 HydrophobicContact CD1-CD1 3.94Å; I386-I398 HydrophobicContact CD1-CG2 4.27Å; I386-I398 HydrophobicContact CG2-CD1 3.84Å; I386-V517 HydrophobicContact CD1-CG1 3.58Å; I386-V517 HydrophobicContact CG1-CG1 4.02Å; I386-L518 PolarHBondContact N-O 2.7Å; I386-M519 WeakPolarHBondContact O-CA 3.4Å; I386-S520 PolarHBondContact O-N 2.9Å; I386-S520 VanDerWaalsContact O-N 3.1Å; I386-I540 HydrophobicContact CG2-CD1 3.4Å; I386-I540 VanDerWaalsContact CG2-CD1 3.4Å; I386-I540 HydrophobicContact CG2-CG1 4.13Å |
| 387 | R | 89.7 | Confident | 89.7 | Confident | 93 Ų | 93 | 33.9 Ų | 33.9 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 153.5 | 171.9 | -179.2 | 169.1 | 169.1 | -114.7 | 11.4 | 109.7 | S520 I525 L538 D539 I540 | R387-S520 WeakPolarHBondContact CA-O 3.48Å; R387-I525 HydrophobicContact CB-CD1 4.48Å; R387-I525 VanDerWaalsContact CD-CD1 3.5Å; R387-L538 PolarHBondContact N-O 2.65Å; R387-D539 WeakPolarHBondContact CB-OD1 3.39Å; R387-D539 WeakPolarHBondContact CD-OD1 3.29Å; R387-D539 VanDerWaalsContact CG-OD1 3.26Å; R387-D539 WeakPolarHBondContact CG-OD1 3.42Å; R387-D539 IonicContact CZ-OD1 3.99Å; R387-D539 IonicContact NE-OD1 2.74Å; R387-D539 IonicContact NH1-OD1 2.89Å; R387-D539 PolarHBondContact NH1-OD1 3Å; R387-D539 IonicContact NH1-OD2 3.81Å; R387-I540 PolarHBondContact O-N 2.98Å |
| 388 | G | 84.8 | Confident | 89.7 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 6% | 0.062 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | 154.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K394 S520 A521 | G388-K394 PolarHBondContact O-NZ 3.12Å; G388-S520 PolarHBondContact N-O 2.81Å; G388-A521 VanDerWaalsContact O-CA 3.32Å; G388-A521 WeakPolarHBondContact O-CA 3.43Å |
| 389 | E | 77 | Confident | 89.8 | Confident | 80 Ų | 80 | 33.2 Ų | 33.2 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | trans | -60.5 | 170 | -171.2 | -70.6 | -168.9 | -177.4 | 0 | 0 | 113.9 | C392 K394 R543 | E389-C392 PolarHBondContact O-SG 3.48Å; E389-K394 PolarHBondContact O-NZ 2.79Å; E389-K394 VanDerWaalsContact O-NZ 3.11Å; E389-R543 IonicContact OE1-NE 3.71Å; E389-R543 PolarHBondContact OE1-NE 2.95Å; E389-R543 WeakPolarHBondContact OE2-CA 3.5Å; E389-R543 WeakPolarHBondContact OE2-CG 3.47Å | ||
| 390 | T | 74.3 | Confident | 89.9 | Confident | 17 Ų | 17 | 27.4 Ų | 27.4 | 10% | 0.104 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 138.7 | 175.3 | 41.6 | 0 | 0 | 0 | 0 | 110.6 | C392 A521 T544 G743 | T390-C392 PolarHBondContact O-N 3.23Å; T390-C392 VanDerWaalsContact O-N 3.13Å; T390-A521 HydrophobicContact CG2-CB 3.84Å; T390-T544 VanDerWaalsContact O-CG2 3.29Å; T390-T544 WeakPolarHBondContact O-CG2 3.21Å; T390-G743 WeakPolarHBondContact OG1-CA 3.44Å |
| 391 | G | 72.8 | Confident | 90.1 | Very high | 23 Ų | 23 | 19 Ų | 19 | 24% | 0.237 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -5.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117 | G393 | G391-G393 PolarHBondContact O-N 3.23Š|
| 392 | C | 81.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -63.2 | -7.9 | 179.4 | 68.2 | 0 | 0 | 0 | 0 | 115.2 | P366 V367 E389 T390 G542 | P366-C392 HydrophobicContact CB-CB 4.07Å; P366-C392 WeakPolarHBondContact CD-O 3.28Å; P366-C392 HydrophobicContact CG-CB 4.4Å; V367-C392 WeakPolarHBondContact CB-O 3.29Å; V367-C392 VanDerWaalsContact CG1-O 3.31Å; V367-C392 WeakPolarHBondContact CG1-O 3.45Å; V367-C392 PolarHBondContact N-O 3.12Å; E389-C392 PolarHBondContact O-SG 3.48Å; T390-C392 PolarHBondContact O-N 3.23Å; T390-C392 VanDerWaalsContact O-N 3.13Å; C392-G542 WeakPolarHBondContact CB-O 3.35Å |
| 393 | G | 85.5 | Confident | 90.5 | Very high | 9 Ų | 9 | 13.9 Ų | 13.9 | 9% | 0.093 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 115.1 | -6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G391 T395 T396 Q397 | G391-G393 PolarHBondContact O-N 3.23Å; G393-T395 PolarHBondContact O-N 2.94Å; G393-T396 PolarHBondContact O-N 3.21Å; G393-T396 PolarHBondContact O-OG1 3.12Å; G393-Q397 WeakPolarHBondContact O-CB 3.25Å; G393-Q397 PolarHBondContact O-N 3.21Å |
| 394 | K | 90.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 4% | 0.043 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -37.3 | -64.1 | -175 | -59.3 | -167.9 | -58.6 | -77.4 | 0 | 114 | I386 G388 E389 T396 Q397 I398 M519 S520 I540 | I386-K394 HydrophobicContact CG2-CD 4.46Å; G388-K394 PolarHBondContact O-NZ 3.12Å; E389-K394 PolarHBondContact O-NZ 2.79Å; E389-K394 VanDerWaalsContact O-NZ 3.11Å; K394-T396 PolarHBondContact O-N 3.05Å; K394-Q397 PolarHBondContact O-N 3.16Å; K394-I398 HydrophobicContact CB-CD1 3.88Å; K394-I398 HydrophobicContact CG-CD1 4.24Å; K394-I398 VanDerWaalsContact O-CB 3.29Å; K394-I398 WeakPolarHBondContact O-CB 3.43Å; K394-I398 WeakPolarHBondContact O-CG1 3.42Å; K394-I398 PolarHBondContact O-N 2.86Å; K394-M519 HydrophobicContact CB-SD 4.37Å; K394-S520 WeakPolarHBondContact CE-O 3.39Å; K394-S520 PolarHBondContact NZ-O 3.22Å; K394-I540 HydrophobicContact CD-CD1 4.3Å; K394-I540 HydrophobicContact CG-CD1 3.96Å |
| 395 | T | 91.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 11% | 0.11 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.8 | -33.8 | -171.5 | -45.3 | 0 | 0 | 0 | 0 | 114.2 | G393 P399 L430 F465 D488 | G393-T395 PolarHBondContact O-N 2.94Å; T395-P399 WeakPolarHBondContact O-CD 3.44Å; T395-P399 WeakPolarHBondContact O-CG 3.36Å; T395-L430 HydrophobicContact CG2-CD1 3.39Å; T395-L430 HydrophobicContact CG2-CD2 3.78Å; T395-L430 HydrophobicContact CG2-CG 4.17Å; T395-F465 HydrophobicContact CG2-CE1 4.36Å; T395-D488 WeakPolarHBondContact CB-OD2 3.09Å; T395-D488 WeakPolarHBondContact CG2-OD2 3.29Å; T395-D488 PolarHBondContact OG1-OD2 3.07Å |
| 396 | T | 91.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 17.2 Ų | 17.2 | 12% | 0.117 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -85.8 | -34.7 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | G393 K394 Q400 L430 R433 I434 | G393-T396 PolarHBondContact O-N 3.21Å; G393-T396 PolarHBondContact O-OG1 3.12Å; K394-T396 PolarHBondContact O-N 3.05Å; T396-Q400 WeakPolarHBondContact O-CG 3.38Å; T396-Q400 PolarHBondContact O-NE2 2.76Å; T396-L430 HydrophobicContact CG2-CD2 4.03Å; T396-R433 HydrophobicContact CG2-CG 4.22Å; T396-I434 HydrophobicContact CG2-CD1 4.41Å; T396-I434 HydrophobicContact CG2-CG1 4.06Å |
| 397 | Q | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -95.2 | -37.9 | -172.7 | -57.7 | -42.9 | -58.7 | 0 | 0 | 114.6 | L365 V367 G393 K394 Q400 F401 E437 | L365-Q397 HydrophobicContact CD1-CG 3.57Å; V367-Q397 HydrophobicContact CG1-CB 3.71Å; V367-Q397 HydrophobicContact CG1-CG 3.75Å; G393-Q397 WeakPolarHBondContact O-CB 3.25Å; G393-Q397 PolarHBondContact O-N 3.21Å; K394-Q397 PolarHBondContact O-N 3.16Å; Q397-Q400 CarbonylContact O-C 3.58Å; Q397-Q400 WeakPolarHBondContact O-CA 3.33Å; Q397-Q400 WeakPolarHBondContact O-CB 3.35Å; Q397-Q400 PolarHBondContact O-N 3.24Å; Q397-Q400 VanDerWaalsContact O-N 3.09Å; Q397-F401 HydrophobicContact CB-CD1 4.37Å; Q397-F401 HydrophobicContact CB-CD2 4.42Å; Q397-F401 HydrophobicContact CB-CE1 3.9Å; Q397-F401 HydrophobicContact CB-CE2 3.97Å; Q397-F401 HydrophobicContact CB-CZ 3.69Å; Q397-F401 HydrophobicContact CG-CZ 4.32Å; Q397-F401 WeakPolarHBondContact O-CD1 3.36Å; Q397-F401 VanDerWaalsContact O-CG 3.25Å; Q397-F401 WeakPolarHBondContact O-CG 3.3Å; Q397-F401 PolarHBondContact O-N 3.37Å; Q397-E437 PolarHBondContact NE2-OE2 2.88Å |
| 398 | I | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | -174 | -64.6 | 169.4 | 0 | 0 | 0 | 112.6 | V367 I374 I386 K394 Q400 F401 I402 M519 I540 | V367-I398 HydrophobicContact CG2-CD1 4.45Å; V367-I398 HydrophobicContact CG2-CG1 4.26Å; I374-I398 HydrophobicContact CD1-CD1 4.35Å; I374-I398 HydrophobicContact CD1-CG1 4.3Å; I374-I398 HydrophobicContact CG2-CG1 4.42Å; I374-I398 HydrophobicContact CG2-CG2 4.22Å; I386-I398 HydrophobicContact CB-CD1 4.5Å; I386-I398 HydrophobicContact CD1-CD1 3.94Å; I386-I398 HydrophobicContact CD1-CG2 4.27Å; I386-I398 HydrophobicContact CG2-CD1 3.84Å; K394-I398 HydrophobicContact CB-CD1 3.88Å; K394-I398 HydrophobicContact CG-CD1 4.24Å; K394-I398 VanDerWaalsContact O-CB 3.29Å; K394-I398 WeakPolarHBondContact O-CB 3.43Å; K394-I398 WeakPolarHBondContact O-CG1 3.42Å; K394-I398 PolarHBondContact O-N 2.86Å; I398-Q400 VanDerWaalsContact C-N 3.29Å; I398-Q400 PolarHBondContact O-N 3.48Å; I398-F401 PolarHBondContact O-N 3.1Å; I398-I402 HydrophobicContact CG2-CD1 4.08Å; I398-I402 WeakPolarHBondContact O-CG1 2.93Å; I398-I402 PolarHBondContact O-N 2.79Å; I398-M519 HydrophobicContact CB-SD 4.02Å; I398-M519 HydrophobicContact CD1-SD 3.68Å; I398-M519 HydrophobicContact CG1-SD 4.42Å; I398-M519 HydrophobicContact CG2-SD 4.12Å; I398-I540 HydrophobicContact CD1-CD1 4.45Å |
| 399 | P | 97.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 172.7 | -20.9 | 32.3 | 0 | 0 | 0 | 112.3 | T395 L403 I417 V419 I463 F465 I486 | T395-P399 WeakPolarHBondContact O-CD 3.44Å; T395-P399 WeakPolarHBondContact O-CG 3.36Å; P399-L403 PolarHBondContact O-N 2.97Å; P399-L403 VanDerWaalsContact O-N 3.14Å; P399-I417 HydrophobicContact CB-CG2 4.48Å; P399-I417 WeakPolarHBondContact O-CD1 3.4Å; P399-V419 HydrophobicContact CB-CG2 4.1Å; P399-V419 HydrophobicContact CG-CG2 3.93Å; P399-I463 HydrophobicContact CB-CD1 3.99Å; P399-I463 HydrophobicContact CB-CG1 4.36Å; P399-I463 HydrophobicContact CB-CG2 4.14Å; P399-F465 HydrophobicContact CG-CZ 4.44Å; P399-I486 HydrophobicContact CB-CD1 4.16Å; P399-I486 HydrophobicContact CG-CD1 3.95Å |
| 400 | Q | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -41.8 | 177.8 | -68.3 | -168.8 | 83.6 | 0 | 0 | 112.6 | T396 Q397 I398 I402 L403 D404 I434 E437 R438 I463 | T396-Q400 WeakPolarHBondContact O-CG 3.38Å; T396-Q400 PolarHBondContact O-NE2 2.76Å; Q397-Q400 CarbonylContact O-C 3.58Å; Q397-Q400 WeakPolarHBondContact O-CA 3.33Å; Q397-Q400 WeakPolarHBondContact O-CB 3.35Å; Q397-Q400 PolarHBondContact O-N 3.24Å; Q397-Q400 VanDerWaalsContact O-N 3.09Å; I398-Q400 VanDerWaalsContact C-N 3.29Å; I398-Q400 PolarHBondContact O-N 3.48Å; Q400-I402 VanDerWaalsContact C-N 3.29Å; Q400-I402 PolarHBondContact O-N 2.73Å; Q400-L403 PolarHBondContact O-N 3.01Å; Q400-D404 WeakPolarHBondContact O-CB 3.45Å; Q400-D404 PolarHBondContact O-N 3.5Å; Q400-I434 HydrophobicContact CG-CG2 3.58Å; Q400-E437 PolarHBondContact NE2-OE2 3.04Å; Q400-R438 VanDerWaalsContact OE1-NH1 3.08Å; Q400-I463 HydrophobicContact CG-CD1 4.39Å |
| 401 | F | 97.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 178.7 | -69.5 | -13 | 0 | 0 | 0 | 111.1 | V367 N368 R371 L375 Q397 I398 S405 | V367-F401 HydrophobicContact CG1-CE2 4.35Å; V367-F401 HydrophobicContact CG1-CZ 4.43Å; V367-F401 HydrophobicContact CG2-CE2 4.24Å; N368-F401 HydrophobicContact CB-CZ 4.35Å; R371-F401 HydrophobicContact CB-CD2 3.97Å; R371-F401 HydrophobicContact CB-CE2 3.75Å; R371-F401 HydrophobicContact CB-CG 4.46Å; R371-F401 HydrophobicContact CB-CZ 4.06Å; R371-F401 HydrophobicContact CG-CB 4.35Å; R371-F401 HydrophobicContact CG-CD1 4.08Å; R371-F401 HydrophobicContact CG-CD2 3.84Å; R371-F401 HydrophobicContact CG-CE1 4.29Å; R371-F401 HydrophobicContact CG-CE2 4.05Å; R371-F401 HydrophobicContact CG-CG 3.85Å; R371-F401 HydrophobicContact CG-CZ 4.27Å; L375-F401 HydrophobicContact CD2-CB 4.44Å; Q397-F401 HydrophobicContact CB-CD1 4.37Å; Q397-F401 HydrophobicContact CB-CD2 4.42Å; Q397-F401 HydrophobicContact CB-CE1 3.9Å; Q397-F401 HydrophobicContact CB-CE2 3.97Å; Q397-F401 HydrophobicContact CB-CZ 3.69Å; Q397-F401 HydrophobicContact CG-CZ 4.32Å; Q397-F401 WeakPolarHBondContact O-CD1 3.36Å; Q397-F401 VanDerWaalsContact O-CG 3.25Å; Q397-F401 WeakPolarHBondContact O-CG 3.3Å; Q397-F401 PolarHBondContact O-N 3.37Å; I398-F401 PolarHBondContact O-N 3.1Å; F401-S405 VanDerWaalsContact O-CB 3.24Å; F401-S405 WeakPolarHBondContact O-CB 3.31Å; F401-S405 PolarHBondContact O-N 2.94Å |
| 402 | I | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.1 | -53.4 | 177.1 | -64.2 | 164.9 | 0 | 0 | 0 | 110.1 | L375 V378 I398 Q400 D404 S405 Y406 I417 I486 V517 | L375-I402 HydrophobicContact CD2-CG1 4.11Å; V378-I402 HydrophobicContact CG1-CD1 4.2Å; I398-I402 HydrophobicContact CG2-CD1 4.08Å; I398-I402 WeakPolarHBondContact O-CG1 2.93Å; I398-I402 PolarHBondContact O-N 2.79Å; Q400-I402 VanDerWaalsContact C-N 3.29Å; Q400-I402 PolarHBondContact O-N 2.73Å; I402-D404 PolarHBondContact O-N 2.7Å; I402-S405 PolarHBondContact O-N 2.96Å; I402-Y406 HydrophobicContact CG2-CE2 4.48Å; I402-Y406 WeakPolarHBondContact O-CD2 3.35Å; I402-Y406 PolarHBondContact O-N 2.87Å; I402-I417 HydrophobicContact CB-CD1 3.76Å; I402-I417 HydrophobicContact CG2-CD1 3.62Å; I402-I417 HydrophobicContact CG2-CG1 4.37Å; I402-I486 HydrophobicContact CD1-CD1 4.07Å; I402-V517 HydrophobicContact CD1-CG2 4.43Å |
| 403 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 179.3 | 174.1 | 57.1 | 0 | 0 | 0 | 112.1 | P399 Q400 S405 Y406 L407 C415 I417 I463 | P399-L403 PolarHBondContact O-N 2.97Å; P399-L403 VanDerWaalsContact O-N 3.14Å; Q400-L403 PolarHBondContact O-N 3.01Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.2Å; L403-Y406 PolarHBondContact O-N 3.43Å; L403-Y406 VanDerWaalsContact O-N 3.11Å; L403-L407 HydrophobicContact CD1-CD1 3.99Å; L403-L407 HydrophobicContact CD1-CG 4.1Å; L403-L407 HydrophobicContact CG-CD1 3.84Å; L403-L407 HydrophobicContact CG-CG 4.42Å; L403-L407 WeakPolarHBondContact O-CG 3.21Å; L403-L407 PolarHBondContact O-N 3.34Å; L403-C415 HydrophobicContact CD1-CB 3.93Å; L403-I417 HydrophobicContact CB-CD1 3.91Å; L403-I463 HydrophobicContact CB-CD1 4.34Å; L403-I463 HydrophobicContact CB-CG1 4.49Å; L403-I463 HydrophobicContact CD2-CD1 3.89Å; L403-I463 HydrophobicContact CD2-CG1 3.98Å |
| 404 | D | 96.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -37.9 | -179.2 | -71.1 | 0.6 | 0 | 0 | 0 | 111 | R345 R362 Q400 I402 Y406 L407 E408 R438 | R345-D404 VanDerWaalsContact CZ-CG 3.42Å; R345-D404 IonicContact CZ-OD1 2.7Å; R345-D404 IonicContact CZ-OD2 3.74Å; R345-D404 IonicContact NH1-OD1 2.74Å; R345-D404 PolarHBondContact NH1-OD1 3.26Å; R345-D404 IonicContact NH1-OD2 2.96Å; R345-D404 PolarHBondContact NH1-OD2 3Å; R345-D404 VanDerWaalsContact NH2-CB 3.32Å; R345-D404 IonicContact NH2-OD1 3.56Å; R345-D404 IonicContact NH2-OD2 3.91Å; R345-D404 PolarHBondContact NH2-OD2 3.19Å; R362-D404 IonicContact NH2-OD2 2.73Å; Q400-D404 WeakPolarHBondContact O-CB 3.45Å; Q400-D404 PolarHBondContact O-N 3.5Å; I402-D404 PolarHBondContact O-N 2.7Å; D404-Y406 VanDerWaalsContact C-N 3.3Å; D404-Y406 PolarHBondContact O-N 3.44Å; D404-L407 PolarHBondContact O-N 3.18Å; D404-E408 VanDerWaalsContact O-CB 3.24Å; D404-E408 WeakPolarHBondContact O-CB 3.38Å; D404-E408 VanDerWaalsContact O-CD 3.3Å; D404-E408 WeakPolarHBondContact O-CG 3.41Å; D404-E408 PolarHBondContact O-N 3.18Å; D404-R438 IonicContact OD1-CZ 2.92Å; D404-R438 VanDerWaalsContact OD1-CZ 3.23Å; D404-R438 IonicContact OD1-NH1 2.89Å; D404-R438 PolarHBondContact OD1-NH1 2.69Å; D404-R438 IonicContact OD1-NH2 4Å; D404-R438 PolarHBondContact OD1-NH2 3.4Å; D404-R438 IonicContact OD2-NH1 2.77Å; D404-R438 PolarHBondContact OD2-NH1 2.97Å |
| 405 | S | 96.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 11% | 0.112 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64 | -30.1 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 113.7 | R379 F401 I402 L403 S409 | R379-S405 PolarHBondContact NH2-OG 3.34Å; F401-S405 VanDerWaalsContact O-CB 3.24Å; F401-S405 WeakPolarHBondContact O-CB 3.31Å; F401-S405 PolarHBondContact O-N 2.94Å; I402-S405 PolarHBondContact O-N 2.96Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.2Å; S405-S409 WeakPolarHBondContact O-CB 3.35Å; S405-S409 PolarHBondContact O-N 3.39Å; S405-S409 PolarHBondContact O-OG 3.41Å |
| 406 | Y | 97 | Very high | 95.9 | Very high | 58 Ų | 58 | 22.5 Ų | 22.5 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -79.8 | -37.2 | 175.5 | -87.4 | -112.2 | 0 | 0 | 0 | 111.7 | I402 L403 D404 S409 G410 I411 G412 E414 C415 H484 | I402-Y406 HydrophobicContact CG2-CE2 4.48Å; I402-Y406 WeakPolarHBondContact O-CD2 3.35Å; I402-Y406 PolarHBondContact O-N 2.87Å; L403-Y406 PolarHBondContact O-N 3.43Å; L403-Y406 VanDerWaalsContact O-N 3.11Å; D404-Y406 VanDerWaalsContact C-N 3.3Å; D404-Y406 PolarHBondContact O-N 3.44Å; Y406-S409 WeakPolarHBondContact CA-OG 3.32Å; Y406-S409 PolarHBondContact O-N 2.86Å; Y406-S409 PolarHBondContact O-OG 2.89Å; Y406-G410 PolarHBondContact O-N 2.97Å; Y406-I411 HydrophobicContact CD1-CD1 3.7Å; Y406-I411 HydrophobicContact CD1-CG1 3.8Å; Y406-I411 HydrophobicContact CE1-CD1 3.85Å; Y406-I411 HydrophobicContact CE1-CG1 4.45Å; Y406-I411 HydrophobicContact CG-CD1 4.4Å; Y406-I411 HydrophobicContact CG-CG1 4.33Å; Y406-I411 CarbonylContact O-C 3.54Å; Y406-I411 PolarHBondContact O-N 2.75Å; Y406-G412 PolarHBondContact O-N 2.68Å; Y406-G412 VanDerWaalsContact O-N 3.09Å; Y406-E414 HydrophobicContact CD1-CB 4.28Å; Y406-E414 HydrophobicContact CE1-CB 4.23Å; Y406-C415 HydrophobicContact CD1-CB 3.71Å; Y406-C415 HydrophobicContact CD2-CB 4.28Å; Y406-C415 HydrophobicContact CE1-CB 4.48Å; Y406-C415 HydrophobicContact CG-CB 3.6Å; Y406-H484 AromaticContact CE2-CE1 3.78Å; Y406-H484 AromaticContact CZ-CE1 3.87Å |
| 407 | L | 95.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 172.9 | -68.1 | 166.3 | 0 | 0 | 0 | 111.1 | L341 L403 D404 S409 G410 | L341-L407 HydrophobicContact CB-CD2 3.66Å; L403-L407 HydrophobicContact CD1-CD1 3.99Å; L403-L407 HydrophobicContact CD1-CG 4.1Å; L403-L407 HydrophobicContact CG-CD1 3.84Å; L403-L407 HydrophobicContact CG-CG 4.42Å; L403-L407 WeakPolarHBondContact O-CG 3.21Å; L403-L407 PolarHBondContact O-N 3.34Å; D404-L407 PolarHBondContact O-N 3.18Å; L407-S409 PolarHBondContact O-N 3.19Å; L407-G410 PolarHBondContact O-N 3.09Å; L407-G410 VanDerWaalsContact O-N 3.11Å |
| 408 | E | 93.7 | Very high | 96.3 | Very high | 104 Ų | 104 | 21.8 Ų | 21.8 | 49% | 0.486 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.5 | 179.5 | -72 | 159.8 | -160.3 | 0 | 0 | 113.2 | R345 R371 D404 | R345-E408 IonicContact CZ-OE1 2.71Å; R345-E408 IonicContact NE-OE1 3.93Å; R345-E408 IonicContact NH2-OE1 3.36Å; R345-E408 PolarHBondContact NH2-OE1 3.2Å; R371-E408 IonicContact CZ-OE2 2.83Å; R371-E408 IonicContact NH1-OE2 3Å; R371-E408 IonicContact NH2-OE1 2.66Å; R371-E408 IonicContact NH2-OE2 2.64Å; R371-E408 PolarHBondContact NH2-OE2 3Å; D404-E408 VanDerWaalsContact O-CB 3.24Å; D404-E408 WeakPolarHBondContact O-CB 3.38Å; D404-E408 VanDerWaalsContact O-CD 3.3Å; D404-E408 WeakPolarHBondContact O-CG 3.41Å; D404-E408 PolarHBondContact O-N 3.18Å |
| 409 | S | 93.8 | Very high | 96.3 | Very high | 69 Ų | 69 | 21.8 Ų | 21.8 | 48% | 0.483 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.4 | 174.5 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | S405 Y406 L407 I411 | S405-S409 WeakPolarHBondContact O-CB 3.35Å; S405-S409 PolarHBondContact O-N 3.39Å; S405-S409 PolarHBondContact O-OG 3.41Å; Y406-S409 WeakPolarHBondContact CA-OG 3.32Å; Y406-S409 PolarHBondContact O-N 2.86Å; Y406-S409 PolarHBondContact O-OG 2.89Å; L407-S409 PolarHBondContact O-N 3.19Å; S409-I411 VanDerWaalsContact C-N 3.27Å; S409-I411 PolarHBondContact O-N 2.81Å; S409-I411 WeakPolarHBondContact OG-CG1 3.33Å |
| 410 | G | 93.2 | Very high | 96.2 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 36% | 0.361 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 14 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S338 Y406 L407 | S338-G410 WeakPolarHBondContact CB-O 3.34Å; Y406-G410 PolarHBondContact O-N 2.97Å; L407-G410 PolarHBondContact O-N 3.09Å; L407-G410 VanDerWaalsContact O-N 3.11Å |
| 411 | I | 95.7 | Very high | 95.9 | Very high | 63 Ų | 63 | 21.8 Ų | 21.8 | 32% | 0.323 | 12% | 0.12 | S | C | . | . | trans | -119.2 | 28.1 | 178.1 | 57.5 | 166.7 | 0 | 0 | 0 | 112 | S338 Y406 S409 A413 E414 | S338-I411 VanDerWaalsContact OG-C 3.31Å; Y406-I411 HydrophobicContact CD1-CD1 3.7Å; Y406-I411 HydrophobicContact CD1-CG1 3.8Å; Y406-I411 HydrophobicContact CE1-CD1 3.85Å; Y406-I411 HydrophobicContact CE1-CG1 4.45Å; Y406-I411 HydrophobicContact CG-CD1 4.4Å; Y406-I411 HydrophobicContact CG-CG1 4.33Å; Y406-I411 CarbonylContact O-C 3.54Å; Y406-I411 PolarHBondContact O-N 2.75Å; S409-I411 VanDerWaalsContact C-N 3.27Å; S409-I411 PolarHBondContact O-N 2.81Å; S409-I411 WeakPolarHBondContact OG-CG1 3.33Å; I411-A413 PolarHBondContact O-N 2.99Å; I411-A413 VanDerWaalsContact O-N 3.07Å; I411-E414 WeakPolarHBondContact O-CB 3.34Å; I411-E414 PolarHBondContact O-N 3.47Å | ||
| 412 | G | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -51 | -33.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S338 Y406 E414 C415 G461 | S338-G412 PolarHBondContact OG-N 2.94Å; Y406-G412 PolarHBondContact O-N 2.68Å; Y406-G412 VanDerWaalsContact O-N 3.09Å; G412-E414 VanDerWaalsContact C-N 3.26Å; G412-E414 PolarHBondContact O-N 2.72Å; G412-C415 WeakPolarHBondContact O-CB 3.47Å; G412-C415 PolarHBondContact O-N 3.21Å; G412-C415 VanDerWaalsContact O-N 3.13Å; G412-G461 WeakPolarHBondContact O-CA 3.3Å; G412-G461 PolarHBondContact O-N 2.76Å |
| 413 | A | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -74.2 | -14.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L334 I337 S338 I411 Y460 | L334-A413 HydrophobicContact CB-CB 4.18Å; L334-A413 HydrophobicContact CD2-CB 4.09Å; L334-A413 WeakPolarHBondContact O-CB 3.28Å; I337-A413 HydrophobicContact CB-CB 3.96Å; I337-A413 HydrophobicContact CG2-CB 3.77Å; S338-A413 VanDerWaalsContact OG-CB 3.22Å; S338-A413 WeakPolarHBondContact OG-CB 3.45Å; S338-A413 PolarHBondContact OG-N 3.08Å; I411-A413 PolarHBondContact O-N 2.99Å; I411-A413 VanDerWaalsContact O-N 3.07Å; A413-Y460 HydrophobicContact CB-CG 4.36Å |
| 414 | E | 95.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 29 Ų | 29 | 43% | 0.425 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -83.5 | 2.9 | 170.1 | -62.5 | -176.6 | -139.9 | 0 | 0 | 112.7 | L334 Y406 I411 G412 S483 | L334-E414 HydrophobicContact CD1-CG 4.16Å; Y406-E414 HydrophobicContact CD1-CB 4.28Å; Y406-E414 HydrophobicContact CE1-CB 4.23Å; I411-E414 WeakPolarHBondContact O-CB 3.34Å; I411-E414 PolarHBondContact O-N 3.47Å; G412-E414 VanDerWaalsContact C-N 3.26Å; G412-E414 PolarHBondContact O-N 2.72Å; E414-S483 WeakPolarHBondContact O-CB 3.38Å |
| 415 | C | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -108.8 | 108.3 | 178 | -151.8 | 0 | 0 | 0 | 0 | 112.4 | L403 Y406 G412 G461 S462 | L403-C415 HydrophobicContact CD1-CB 3.93Å; Y406-C415 HydrophobicContact CD1-CB 3.71Å; Y406-C415 HydrophobicContact CD2-CB 4.28Å; Y406-C415 HydrophobicContact CE1-CB 4.48Å; Y406-C415 HydrophobicContact CG-CB 3.6Å; G412-C415 WeakPolarHBondContact O-CB 3.47Å; G412-C415 PolarHBondContact O-N 3.21Å; G412-C415 VanDerWaalsContact O-N 3.13Å; C415-G461 CarbonylContact O-C 3.47Å; C415-G461 WeakPolarHBondContact O-CA 3.43Å; C415-G461 PolarHBondContact O-N 2.79Å; C415-S462 PolarHBondContact O-N 3.42Å; C415-S462 VanDerWaalsContact O-N 3.16Å | ||
| 416 | S | 97.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.2 | 169.9 | -62.6 | 0 | 0 | 0 | 0 | 108.4 | G481 S483 H484 | S416-G481 WeakPolarHBondContact CB-O 3.24Å; S416-G481 PolarHBondContact OG-O 2.85Å; S416-S483 PolarHBondContact N-OG 2.86Å; S416-S483 PolarHBondContact O-N 3.32Å; S416-S483 PolarHBondContact O-OG 3.4Å; S416-H484 PolarHBondContact O-N 3.1Å |
| 417 | I | 98 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.5 | -169.4 | -50.5 | -178.8 | 0 | 0 | 0 | 110.1 | W319 P399 I402 L403 V419 S462 I463 L464 H484 I486 | W319-I417 WeakPolarHBondContact CH2-O 3.49Å; P399-I417 HydrophobicContact CB-CG2 4.48Å; P399-I417 WeakPolarHBondContact O-CD1 3.4Å; I402-I417 HydrophobicContact CB-CD1 3.76Å; I402-I417 HydrophobicContact CG2-CD1 3.62Å; I402-I417 HydrophobicContact CG2-CG1 4.37Å; L403-I417 HydrophobicContact CB-CD1 3.91Å; I417-V419 HydrophobicContact CG2-CG2 3.97Å; I417-S462 PolarHBondContact N-O 3.49Å; I417-I463 HydrophobicContact CB-CG1 4.17Å; I417-I463 HydrophobicContact CD1-CG1 4.19Å; I417-I463 CarbonylContact O-C 3.55Å; I417-I463 WeakPolarHBondContact O-CA 3.34Å; I417-L464 PolarHBondContact O-N 3.18Å; I417-H484 WeakPolarHBondContact CA-O 3.4Å; I417-H484 HydrophobicContact CB-CB 4.48Å; I417-H484 HydrophobicContact CG1-CB 4.22Å; I417-H484 HydrophobicContact CG2-CB 4.19Å; I417-I486 HydrophobicContact CG2-CD1 3.61Å; I417-I486 HydrophobicContact CG2-CG1 3.97Å |
| 418 | L | 96.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.3 | 177.8 | -174.7 | 57 | 0 | 0 | 0 | 109.5 | W319 L464 M471 L479 V482 H484 V485 I486 | W319-L418 HydrophobicContact CZ3-CB 4.38Å; W319-L418 HydrophobicContact CZ3-CD1 4.32Å; L418-L464 HydrophobicContact CD1-CB 4.13Å; L418-L464 HydrophobicContact CD1-CD2 3.98Å; L418-L464 HydrophobicContact CD1-CG 4.11Å; L418-M471 HydrophobicContact CD2-CE 3.49Å; L418-M471 VanDerWaalsContact CD2-CE 3.49Å; L418-M471 HydrophobicContact CD2-CG 4.01Å; L418-M471 HydrophobicContact CG-CE 4.06Å; L418-L479 HydrophobicContact CD2-CD2 3.75Å; L418-V482 HydrophobicContact CB-CG1 3.86Å; L418-V482 HydrophobicContact CD2-CG1 4.48Å; L418-H484 PolarHBondContact N-O 3.43Å; L418-V485 CarbonylContact O-C 3.55Å; L418-V485 WeakPolarHBondContact O-CA 3.46Å; L418-I486 PolarHBondContact O-N 2.89Å |
| 419 | V | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.6 | -174.6 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | P399 I417 I463 L464 F465 C466 I486 | P399-V419 HydrophobicContact CB-CG2 4.1Å; P399-V419 HydrophobicContact CG-CG2 3.93Å; I417-V419 HydrophobicContact CG2-CG2 3.97Å; V419-I463 HydrophobicContact CG2-CG2 3.82Å; V419-L464 PolarHBondContact N-O 3.35Å; V419-F465 HydrophobicContact CB-CD1 3.87Å; V419-F465 HydrophobicContact CB-CE1 3.75Å; V419-F465 HydrophobicContact CB-CE2 4.45Å; V419-F465 HydrophobicContact CB-CG 4.27Å; V419-F465 HydrophobicContact CB-CZ 4.03Å; V419-F465 HydrophobicContact CG1-CD1 3.89Å; V419-F465 HydrophobicContact CG1-CE1 3.45Å; V419-F465 VanDerWaalsContact CG1-CE1 3.45Å; V419-F465 HydrophobicContact CG1-CZ 3.98Å; V419-F465 HydrophobicContact CG2-CE1 4.32Å; V419-F465 HydrophobicContact CG2-CE2 4.35Å; V419-F465 HydrophobicContact CG2-CZ 4.1Å; V419-F465 CarbonylContact O-C 3.59Å; V419-F465 VanDerWaalsContact O-CA 3.31Å; V419-F465 WeakPolarHBondContact O-CA 3.46Å; V419-C466 PolarHBondContact O-N 3.43Å; V419-I486 CarbonylContact C-O 3.52Å; V419-I486 WeakPolarHBondContact CA-O 3.39Å; V419-I486 HydrophobicContact CB-CB 4.47Å; V419-I486 HydrophobicContact CG1-CB 4.2Å; V419-I486 HydrophobicContact CG1-CG2 4.23Å; V419-I486 HydrophobicContact CG2-CB 4.2Å; V419-I486 HydrophobicContact CG2-CD1 4.25Å; V419-I486 HydrophobicContact CG2-CG1 4.49Å |
| 420 | T | 94.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 146.7 | 177.8 | 71 | 0 | 0 | 0 | 0 | 111.7 | C466 M471 I486 V487 | T420-C466 CarbonylContact C-O 3.22Å; T420-C466 WeakPolarHBondContact CA-O 3.31Å; T420-M471 HydrophobicContact CG2-CB 4.38Å; T420-M471 HydrophobicContact CG2-CE 4.18Å; T420-M471 HydrophobicContact CG2-CG 4.24Å; T420-M471 HydrophobicContact CG2-SD 3.32Å; T420-M471 WeakPolarHBondContact CG2-SD 3.28Å; T420-I486 PolarHBondContact N-O 3.34Å; T420-V487 WeakPolarHBondContact OG1-CA 3.36Å; T420-V487 WeakPolarHBondContact OG1-CG1 3.34Å |
| 421 | Q | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.7 | 172.8 | -68.1 | -70.9 | -45.5 | 0 | 0 | 109.8 | R423 A427 L430 F465 C466 T467 V468 D488 S699 | Q421-R423 VanDerWaalsContact C-N 3.34Å; Q421-R423 PolarHBondContact O-N 3.07Å; Q421-A427 HydrophobicContact CB-CB 4.13Å; Q421-A427 HydrophobicContact CG-CB 4.36Å; Q421-L430 HydrophobicContact CG-CD1 3.93Å; Q421-F465 HydrophobicContact CG-CD1 3.99Å; Q421-C466 PolarHBondContact N-O 3.5Å; Q421-T467 WeakPolarHBondContact O-CA 3.34Å; Q421-V468 PolarHBondContact O-N 2.78Å; Q421-D488 VanDerWaalsContact NE2-CB 3.29Å; Q421-D488 PolarHBondContact NE2-OD2 3.15Å; Q421-S699 VanDerWaalsContact OE1-CB 3.28Å; Q421-S699 PolarHBondContact OE1-OG 3.43Å |
| 422 | P | 82.4 | Confident | 91.1 | Very high | 31 Ų | 31 | 17.9 Ų | 17.9 | 20% | 0.201 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -70 | -27.2 | -179.9 | 23.9 | -30.8 | 0 | 0 | 0 | 113.2 | E489 E492 | P422-E489 HydrophobicContact CG-CB 4.41Å; P422-E492 WeakPolarHBondContact CG-OE1 3.45Å |
| 423 | R | 81.3 | Confident | 90.8 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 19% | 0.189 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -117.2 | 145.2 | -177.4 | -66.2 | 172.1 | -171.7 | 64.3 | 17 | 113.1 | Q421 I425 S426 A427 E492 S698 | Q421-R423 VanDerWaalsContact C-N 3.34Å; Q421-R423 PolarHBondContact O-N 3.07Å; R423-I425 HydrophobicContact CB-CG2 4.17Å; R423-I425 PolarHBondContact O-N 2.94Å; R423-S426 WeakPolarHBondContact O-CB 3.5Å; R423-S426 PolarHBondContact O-N 3.29Å; R423-A427 PolarHBondContact O-N 2.73Å; R423-E492 IonicContact CZ-OE1 3.5Å; R423-E492 IonicContact CZ-OE2 2.8Å; R423-E492 IonicContact NH1-OE1 3.42Å; R423-E492 PolarHBondContact NH1-OE1 2.67Å; R423-E492 IonicContact NH1-OE2 2.73Å; R423-E492 PolarHBondContact NH1-OE2 2.53Å; R423-E492 IonicContact NH2-OE1 2.97Å; R423-E492 IonicContact NH2-OE2 2.75Å; R423-E492 PolarHBondContact NH2-OE2 3.45Å; R423-S698 PolarHBondContact NH1-OG 2.97Å |
| 424 | R | 82.7 | Confident | 90.7 | Very high | 79 Ų | 79 | 21.4 Ų | 21.4 | 30% | 0.298 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -55.6 | -51 | 176 | -61.1 | 173 | 71.6 | -141.4 | 1.1 | 111.6 | S426 A427 I428 V450 R451 T467 | R424-S426 VanDerWaalsContact C-N 3.29Å; R424-S426 PolarHBondContact O-N 3.12Å; R424-A427 PolarHBondContact O-N 3.41Å; R424-I428 WeakPolarHBondContact O-CG1 3.4Å; R424-I428 PolarHBondContact O-N 3.15Å; R424-I428 VanDerWaalsContact O-N 3.1Å; R424-V450 HydrophobicContact CB-CB 4.33Å; R424-V450 HydrophobicContact CB-CG2 4.38Å; R424-V450 HydrophobicContact CG-CB 4.21Å; R424-V450 HydrophobicContact CG-CG2 4.49Å; R424-R451 PolarHBondContact NE-O 2.66Å; R424-R451 PolarHBondContact NH2-O 2.78Å; R424-T467 HydrophobicContact CB-CG2 4.41Å; R424-T467 HydrophobicContact CG-CG2 3.97Å |
| 425 | I | 81.1 | Confident | 90.7 | Very high | 25 Ų | 25 | 17.1 Ų | 17.1 | 13% | 0.128 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.1 | -36.4 | 178.4 | -179.3 | 162.2 | 0 | 0 | 0 | 112.6 | R423 I428 S429 Q675 F679 I695 I700 | R423-I425 HydrophobicContact CB-CG2 4.17Å; R423-I425 PolarHBondContact O-N 2.94Å; I425-I428 PolarHBondContact O-N 3.36Å; I425-S429 WeakPolarHBondContact O-CB 3.5Å; I425-S429 PolarHBondContact O-N 3.26Å; I425-S429 PolarHBondContact O-OG 3.27Å; I425-Q675 HydrophobicContact CD1-CB 4.28Å; I425-F679 HydrophobicContact CD1-CE2 4.46Å; I425-I695 HydrophobicContact CG2-CD1 4.01Å; I425-I695 HydrophobicContact CG2-CG1 3.81Å; I425-I700 HydrophobicContact CD1-CD1 3.77Å; I425-I700 HydrophobicContact CG1-CD1 3.85Å; I425-I700 HydrophobicContact CG2-CD1 3.96Å |
| 426 | S | 86.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.6 | -51.7 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | R423 R424 I428 S429 L430 S699 | R423-S426 WeakPolarHBondContact O-CB 3.5Å; R423-S426 PolarHBondContact O-N 3.29Å; R424-S426 VanDerWaalsContact C-N 3.29Å; R424-S426 PolarHBondContact O-N 3.12Å; S426-I428 VanDerWaalsContact C-N 3.31Å; S426-I428 PolarHBondContact O-N 3.46Å; S426-S429 PolarHBondContact O-N 3.11Å; S426-L430 VanDerWaalsContact O-CB 3.23Å; S426-L430 WeakPolarHBondContact O-CB 3.4Å; S426-L430 WeakPolarHBondContact O-CD1 3.37Å; S426-L430 WeakPolarHBondContact O-CG 3.35Å; S426-L430 PolarHBondContact O-N 3.07Å; S426-S699 VanDerWaalsContact CB-CB 3.43Å; S426-S699 VanDerWaalsContact OG-CB 3.27Å; S426-S699 WeakPolarHBondContact OG-CB 3.29Å; S426-S699 PolarHBondContact OG-OG 3Å |
| 427 | A | 90.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q421 R423 R424 A431 V450 F465 | Q421-A427 HydrophobicContact CB-CB 4.13Å; Q421-A427 HydrophobicContact CG-CB 4.36Å; R423-A427 PolarHBondContact O-N 2.73Å; R424-A427 PolarHBondContact O-N 3.41Å; A427-A431 WeakPolarHBondContact O-CB 3.21Å; A427-A431 PolarHBondContact O-N 2.84Å; A427-V450 HydrophobicContact CB-CG1 3.61Å; A427-F465 HydrophobicContact CB-CB 4.17Å; A427-F465 WeakPolarHBondContact O-CB 3.4Å |
| 428 | I | 88.2 | Confident | 89.9 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 8% | 0.082 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.7 | -58.1 | 177.6 | -62.4 | 162.4 | 0 | 0 | 0 | 110.9 | R424 I425 S426 L430 A431 E432 Y448 V450 E453 | R424-I428 WeakPolarHBondContact O-CG1 3.4Å; R424-I428 PolarHBondContact O-N 3.15Å; R424-I428 VanDerWaalsContact O-N 3.1Å; I425-I428 PolarHBondContact O-N 3.36Å; S426-I428 VanDerWaalsContact C-N 3.31Å; S426-I428 PolarHBondContact O-N 3.46Å; I428-L430 VanDerWaalsContact C-N 3.3Å; I428-L430 PolarHBondContact O-N 2.91Å; I428-A431 PolarHBondContact O-N 3.31Å; I428-A431 VanDerWaalsContact O-N 3.14Å; I428-E432 HydrophobicContact CG2-CG 4.32Å; I428-E432 WeakPolarHBondContact O-CG 3.31Å; I428-E432 PolarHBondContact O-N 3.05Å; I428-Y448 HydrophobicContact CD1-CE2 4.47Å; I428-Y448 HydrophobicContact CG1-CD1 4.48Å; I428-Y448 HydrophobicContact CG1-CD2 3.76Å; I428-Y448 HydrophobicContact CG1-CE1 4.46Å; I428-Y448 HydrophobicContact CG1-CE2 3.76Å; I428-Y448 HydrophobicContact CG1-CG 4.15Å; I428-Y448 HydrophobicContact CG2-CE1 4.09Å; I428-V450 HydrophobicContact CD1-CG2 4.26Å; I428-V450 HydrophobicContact CG1-CG2 4.47Å; I428-E453 WeakPolarHBondContact CD1-OE2 3.25Å |
| 429 | S | 85.7 | Confident | 89.7 | Confident | 14 Ų | 14 | 24.3 Ų | 24.3 | 10% | 0.098 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.9 | -27.9 | -173.3 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | I425 S426 R433 | I425-S429 WeakPolarHBondContact O-CB 3.5Å; I425-S429 PolarHBondContact O-N 3.26Å; I425-S429 PolarHBondContact O-OG 3.27Å; S426-S429 PolarHBondContact O-N 3.11Å; S429-R433 VanDerWaalsContact O-CB 3.26Å; S429-R433 WeakPolarHBondContact O-CB 3.29Å; S429-R433 PolarHBondContact O-N 2.84Å |
| 430 | L | 91.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -73.5 | -41.5 | 171.6 | -69.8 | 166.2 | 0 | 0 | 0 | 112.4 | T395 T396 Q421 S426 I428 R433 I434 F465 | T395-L430 HydrophobicContact CG2-CD1 3.39Å; T395-L430 HydrophobicContact CG2-CD2 3.78Å; T395-L430 HydrophobicContact CG2-CG 4.17Å; T396-L430 HydrophobicContact CG2-CD2 4.03Å; Q421-L430 HydrophobicContact CG-CD1 3.93Å; S426-L430 VanDerWaalsContact O-CB 3.23Å; S426-L430 WeakPolarHBondContact O-CB 3.4Å; S426-L430 WeakPolarHBondContact O-CD1 3.37Å; S426-L430 WeakPolarHBondContact O-CG 3.35Å; S426-L430 PolarHBondContact O-N 3.07Å; I428-L430 VanDerWaalsContact C-N 3.3Å; I428-L430 PolarHBondContact O-N 2.91Å; L430-R433 PolarHBondContact O-N 3.48Å; L430-I434 WeakPolarHBondContact O-CB 3.34Å; L430-I434 WeakPolarHBondContact O-CD1 3.18Å; L430-I434 WeakPolarHBondContact O-CG1 3.49Å; L430-I434 PolarHBondContact O-N 2.66Å; L430-F465 HydrophobicContact CB-CD1 4Å; L430-F465 HydrophobicContact CB-CE1 3.75Å; L430-F465 HydrophobicContact CB-CZ 4.2Å; L430-F465 HydrophobicContact CD1-CD1 4.38Å; L430-F465 HydrophobicContact CD1-CE1 4.04Å |
| 431 | A | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A427 I428 A435 V442 V446 Y448 F465 | A427-A431 WeakPolarHBondContact O-CB 3.21Å; A427-A431 PolarHBondContact O-N 2.84Å; I428-A431 PolarHBondContact O-N 3.31Å; I428-A431 VanDerWaalsContact O-N 3.14Å; A431-A435 VanDerWaalsContact O-CB 3.28Å; A431-A435 WeakPolarHBondContact O-CB 3.36Å; A431-A435 PolarHBondContact O-N 3.48Å; A431-V442 HydrophobicContact CB-CG1 4.45Å; A431-V446 HydrophobicContact CB-CG1 4.05Å; A431-Y448 HydrophobicContact CB-CD1 3.87Å; A431-Y448 HydrophobicContact CB-CG 4.41Å; A431-F465 HydrophobicContact CB-CB 4.31Å; A431-F465 HydrophobicContact CB-CD2 4.04Å; A431-F465 HydrophobicContact CB-CG 4.35Å |
| 432 | E | 90.5 | Very high | 89.6 | Confident | 58 Ų | 58 | 32.5 Ų | 32.5 | 27% | 0.271 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 172.5 | -71.7 | 174.8 | 164 | 0 | 0 | 111.8 | I428 Y436 V442 R676 | I428-E432 HydrophobicContact CG2-CG 4.32Å; I428-E432 WeakPolarHBondContact O-CG 3.31Å; I428-E432 PolarHBondContact O-N 3.05Å; E432-Y436 WeakPolarHBondContact O-CB 3.25Å; E432-Y436 PolarHBondContact O-N 3.24Å; E432-V442 HydrophobicContact CB-CG2 4.32Å; E432-V442 HydrophobicContact CG-CG2 3.92Å; E432-R676 IonicContact OE1-CZ 3.72Å; E432-R676 IonicContact OE1-NE 2.63Å; E432-R676 PolarHBondContact OE1-NE 2.87Å; E432-R676 IonicContact OE1-NH2 3.23Å; E432-R676 PolarHBondContact OE1-NH2 3.17Å; E432-R676 IonicContact OE2-NE 2.64Å |
| 433 | R | 88.7 | Confident | 90.2 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 28% | 0.275 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.4 | -38.5 | 179.6 | 176.2 | 59 | -168.3 | -178.3 | 6.8 | 112.8 | T396 S429 L430 Y436 E437 | T396-R433 HydrophobicContact CG2-CG 4.22Å; S429-R433 VanDerWaalsContact O-CB 3.26Å; S429-R433 WeakPolarHBondContact O-CB 3.29Å; S429-R433 PolarHBondContact O-N 2.84Å; L430-R433 PolarHBondContact O-N 3.48Å; R433-Y436 PolarHBondContact O-N 3.39Å; R433-E437 IonicContact CZ-OE1 3.46Å; R433-E437 IonicContact NE-OE1 3.51Å; R433-E437 PolarHBondContact NE-OE1 3.46Å; R433-E437 IonicContact NH2-OE1 3.2Å; R433-E437 PolarHBondContact NH2-OE1 3.17Å; R433-E437 WeakPolarHBondContact O-CB 3.29Å; R433-E437 WeakPolarHBondContact O-CG 3.31Å; R433-E437 PolarHBondContact O-N 2.87Å |
| 434 | I | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.6 | -32.8 | -178.8 | -64.4 | 164.6 | 0 | 0 | 0 | 111.1 | T396 Q400 L430 E437 R438 V446 F465 | T396-I434 HydrophobicContact CG2-CD1 4.41Å; T396-I434 HydrophobicContact CG2-CG1 4.06Å; Q400-I434 HydrophobicContact CG-CG2 3.58Å; L430-I434 WeakPolarHBondContact O-CB 3.34Å; L430-I434 WeakPolarHBondContact O-CD1 3.18Å; L430-I434 WeakPolarHBondContact O-CG1 3.49Å; L430-I434 PolarHBondContact O-N 2.66Å; I434-E437 PolarHBondContact O-N 3.07Å; I434-R438 WeakPolarHBondContact O-CD 3.19Å; I434-R438 WeakPolarHBondContact O-CG 3.37Å; I434-R438 PolarHBondContact O-N 2.78Å; I434-V446 HydrophobicContact CB-CG1 4.27Å; I434-V446 HydrophobicContact CG2-CG1 4.29Å; I434-V446 HydrophobicContact CG2-CG2 3.87Å; I434-F465 HydrophobicContact CD1-CE1 4.38Å; I434-F465 HydrophobicContact CD1-CE2 3.49Å; I434-F465 VanDerWaalsContact CD1-CE2 3.49Å; I434-F465 HydrophobicContact CD1-CZ 3.29Å |
| 435 | A | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A431 E437 R438 G439 E440 V442 V446 | A431-A435 VanDerWaalsContact O-CB 3.28Å; A431-A435 WeakPolarHBondContact O-CB 3.36Å; A431-A435 PolarHBondContact O-N 3.48Å; A435-E437 PolarHBondContact O-N 3.19Å; A435-R438 CarbonylContact O-C 3.48Å; A435-R438 WeakPolarHBondContact O-CA 3.39Å; A435-R438 PolarHBondContact O-N 2.8Å; A435-G439 PolarHBondContact O-N 2.99Å; A435-E440 CarbonylContact C-O 3.5Å; A435-E440 HydrophobicContact CB-CB 4.49Å; A435-E440 WeakPolarHBondContact CB-O 3.32Å; A435-E440 PolarHBondContact O-N 3.05Å; A435-V442 HydrophobicContact CB-CG2 3.85Å; A435-V446 HydrophobicContact CB-CB 4.29Å |
| 436 | Y | 91.7 | Very high | 92.4 | Very high | 106 Ų | 106 | 27.7 Ų | 27.7 | 42% | 0.416 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -56.4 | -47 | 174.4 | 174.9 | -91.9 | 0 | 0 | 0 | 112.7 | L358 E432 R433 R438 G439 | L358-Y436 HydrophobicContact CD1-CE1 4.38Å; L358-Y436 WeakPolarHBondContact CD1-O 3.44Å; L358-Y436 HydrophobicContact CD2-CD1 4.24Å; L358-Y436 HydrophobicContact CD2-CE1 3.45Å; L358-Y436 VanDerWaalsContact CD2-CE1 3.45Å; E432-Y436 WeakPolarHBondContact O-CB 3.25Å; E432-Y436 PolarHBondContact O-N 3.24Å; R433-Y436 PolarHBondContact O-N 3.39Å; Y436-R438 PolarHBondContact O-N 2.84Å; Y436-G439 PolarHBondContact O-N 3.05Å |
| 437 | E | 91.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -8.2 | 175.7 | -85.5 | -178.1 | -159.6 | 0 | 0 | 115.1 | R362 Q397 Q400 R433 I434 A435 | R362-E437 HydrophobicContact CG-CG 4.32Å; R362-E437 IonicContact NE-OE2 2.71Å; Q397-E437 PolarHBondContact NE2-OE2 2.88Å; Q400-E437 PolarHBondContact NE2-OE2 3.04Å; R433-E437 IonicContact CZ-OE1 3.46Å; R433-E437 IonicContact NE-OE1 3.51Å; R433-E437 PolarHBondContact NE-OE1 3.46Å; R433-E437 IonicContact NH2-OE1 3.2Å; R433-E437 PolarHBondContact NH2-OE1 3.17Å; R433-E437 WeakPolarHBondContact O-CB 3.29Å; R433-E437 WeakPolarHBondContact O-CG 3.31Å; R433-E437 PolarHBondContact O-N 2.87Å; I434-E437 PolarHBondContact O-N 3.07Å; A435-E437 PolarHBondContact O-N 3.19Å |
| 438 | R | 93.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 4% | 0.038 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 7.5 | 175.9 | -61.9 | 173.2 | 83.3 | 71.2 | -1.3 | 112.3 | R348 L355 Q400 D404 I434 A435 Y436 E440 S445 | R348-R438 PolarHBondContact NH2-O 3.13Å; L355-R438 VanDerWaalsContact CD1-C 3.46Å; Q400-R438 VanDerWaalsContact OE1-NH1 3.08Å; D404-R438 IonicContact OD1-CZ 2.92Å; D404-R438 VanDerWaalsContact OD1-CZ 3.23Å; D404-R438 IonicContact OD1-NH1 2.89Å; D404-R438 PolarHBondContact OD1-NH1 2.69Å; D404-R438 IonicContact OD1-NH2 4Å; D404-R438 PolarHBondContact OD1-NH2 3.4Å; D404-R438 IonicContact OD2-NH1 2.77Å; D404-R438 PolarHBondContact OD2-NH1 2.97Å; I434-R438 WeakPolarHBondContact O-CD 3.19Å; I434-R438 WeakPolarHBondContact O-CG 3.37Å; I434-R438 PolarHBondContact O-N 2.78Å; A435-R438 CarbonylContact O-C 3.48Å; A435-R438 WeakPolarHBondContact O-CA 3.39Å; A435-R438 PolarHBondContact O-N 2.8Å; Y436-R438 PolarHBondContact O-N 2.84Å; R438-E440 HydrophobicContact CB-CB 4.4Å; R438-E440 HydrophobicContact CB-CG 4.31Å; R438-E440 PolarHBondContact O-N 3.32Å; R438-S445 PolarHBondContact NE-OG 2.99Å |
| 439 | G | 91.5 | Very high | 93.3 | Very high | 37 Ų | 37 | 28 Ų | 28 | 38% | 0.381 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 26.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R348 A435 Y436 | R348-G439 PolarHBondContact NH2-O 3.05Å; A435-G439 PolarHBondContact O-N 2.99Å; Y436-G439 PolarHBondContact O-N 3.05Å |
| 440 | E | 93.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | trans | -117 | 159.1 | -172.3 | -77.3 | 172.8 | -149.3 | 0 | 0 | 112.1 | R348 A435 R438 T444 S445 | R348-E440 IonicContact CZ-OE1 3.62Å; R348-E440 IonicContact NH1-OE1 3.47Å; R348-E440 PolarHBondContact NH1-OE1 3.24Å; A435-E440 CarbonylContact C-O 3.5Å; A435-E440 HydrophobicContact CB-CB 4.49Å; A435-E440 WeakPolarHBondContact CB-O 3.32Å; A435-E440 PolarHBondContact O-N 3.05Å; R438-E440 HydrophobicContact CB-CB 4.4Å; R438-E440 HydrophobicContact CB-CG 4.31Å; R438-E440 PolarHBondContact O-N 3.32Å; E440-T444 HydrophobicContact CG-CG2 4Å; E440-T444 WeakPolarHBondContact OE2-CB 3.28Å; E440-T444 WeakPolarHBondContact OE2-CG2 3.24Å; E440-S445 VanDerWaalsContact CD-OG 3.32Å; E440-S445 PolarHBondContact OE1-OG 2.89Å; E440-S445 WeakPolarHBondContact OE2-CA 3.37Å; E440-S445 WeakPolarHBondContact OE2-CB 3.35Å; E440-S445 PolarHBondContact OE2-N 3.44Å; E440-S445 PolarHBondContact OE2-OG 3.37Å | ||
| 441 | T | 93 | Very high | 92.7 | Very high | 106 Ų | 106 | 30.8 Ų | 30.8 | 65% | 0.65 | 17% | 0.166 | S | C | * | . | trans | -86.7 | 153.4 | 163.3 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | G443 T444 | T441-G443 PolarHBondContact O-N 3.23Å; T441-T444 PolarHBondContact O-N 3.49Å; T441-T444 PolarHBondContact O-OG1 3.42Å | ||
| 442 | V | 94 | Very high | 91.7 | Very high | 40 Ų | 40 | 31.2 Ų | 31.2 | 24% | 0.242 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 127.4 | 172.6 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | A431 E432 A435 Y448 V455 | A431-V442 HydrophobicContact CB-CG1 4.45Å; E432-V442 HydrophobicContact CB-CG2 4.32Å; E432-V442 HydrophobicContact CG-CG2 3.92Å; A435-V442 HydrophobicContact CB-CG2 3.85Å; V442-Y448 HydrophobicContact CG1-CD1 3.77Å; V442-Y448 HydrophobicContact CG1-CE1 3.85Å; V442-V455 HydrophobicContact CG1-CB 4.26Å; V442-V455 HydrophobicContact CG1-CG1 4.01Å |
| 443 | G | 94.7 | Very high | 91.1 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 116.1 | -15.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | T441 V446 Y456 P457 | T441-G443 PolarHBondContact O-N 3.23Å; G443-V446 PolarHBondContact N-O 3.4Å; G443-Y456 WeakPolarHBondContact CA-O 3.47Å; G443-P457 WeakPolarHBondContact O-CA 3.42Å |
| 444 | T | 95.9 | Very high | 91 | Very high | 53 Ų | 53 | 29 Ų | 29 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -81.5 | -103.4 | 175.5 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | E440 T441 P457 R458 | E440-T444 HydrophobicContact CG-CG2 4Å; E440-T444 WeakPolarHBondContact OE2-CB 3.28Å; E440-T444 WeakPolarHBondContact OE2-CG2 3.24Å; T441-T444 PolarHBondContact O-N 3.49Å; T441-T444 PolarHBondContact O-OG1 3.42Å; T444-P457 WeakPolarHBondContact O-CB 3.32Å; T444-R458 WeakPolarHBondContact O-CG 3.26Å; T444-R458 PolarHBondContact O-N 3.23Å |
| 445 | S | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -85.5 | -10.7 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | R438 E440 S462 I463 | R438-S445 PolarHBondContact NE-OG 2.99Å; E440-S445 VanDerWaalsContact CD-OG 3.32Å; E440-S445 PolarHBondContact OE1-OG 2.89Å; E440-S445 WeakPolarHBondContact OE2-CA 3.37Å; E440-S445 WeakPolarHBondContact OE2-CB 3.35Å; E440-S445 PolarHBondContact OE2-N 3.44Å; E440-S445 PolarHBondContact OE2-OG 3.37Å; S445-S462 CarbonylContact O-C 3.57Å; S445-S462 WeakPolarHBondContact O-CA 3.17Å; S445-S462 VanDerWaalsContact O-CB 3.24Å; S445-S462 WeakPolarHBondContact O-CB 3.2Å; S445-I463 PolarHBondContact O-N 2.71Å |
| 446 | V | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.6 | -175.7 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | A431 I434 A435 G443 I463 F465 | A431-V446 HydrophobicContact CB-CG1 4.05Å; I434-V446 HydrophobicContact CB-CG1 4.27Å; I434-V446 HydrophobicContact CG2-CG1 4.29Å; I434-V446 HydrophobicContact CG2-CG2 3.87Å; A435-V446 HydrophobicContact CB-CB 4.29Å; G443-V446 PolarHBondContact N-O 3.4Å; V446-I463 WeakPolarHBondContact CA-O 3.42Å; V446-F465 HydrophobicContact CG1-CD2 4.34Å; V446-F465 HydrophobicContact CG1-CE2 4.41Å |
| 447 | G | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 178.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | V455 I463 F465 | G447-V455 CarbonylContact C-O 3.53Å; G447-V455 WeakPolarHBondContact CA-O 3.45Å; G447-I463 PolarHBondContact N-O 3.08Å; G447-F465 PolarHBondContact O-N 3.08Å |
| 448 | Y | 95.3 | Very high | 91.3 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.8 | 175 | 64.1 | -97.4 | 0 | 0 | 0 | 113.7 | I428 A431 V442 E453 T454 V455 F465 | I428-Y448 HydrophobicContact CD1-CE2 4.47Å; I428-Y448 HydrophobicContact CG1-CD1 4.48Å; I428-Y448 HydrophobicContact CG1-CD2 3.76Å; I428-Y448 HydrophobicContact CG1-CE1 4.46Å; I428-Y448 HydrophobicContact CG1-CE2 3.76Å; I428-Y448 HydrophobicContact CG1-CG 4.15Å; I428-Y448 HydrophobicContact CG2-CE1 4.09Å; A431-Y448 HydrophobicContact CB-CD1 3.87Å; A431-Y448 HydrophobicContact CB-CG 4.41Å; V442-Y448 HydrophobicContact CG1-CD1 3.77Å; V442-Y448 HydrophobicContact CG1-CE1 3.85Å; Y448-E453 HydrophobicContact CE2-CB 4.41Å; Y448-E453 HydrophobicContact CE2-CG 3.91Å; Y448-E453 PolarHBondContact OH-OE1 3.43Å; Y448-E453 VanDerWaalsContact OH-OE1 3.11Å; Y448-T454 CarbonylContact O-C 3.58Å; Y448-T454 WeakPolarHBondContact O-CA 3.38Å; Y448-V455 HydrophobicContact CE1-CB 4.21Å; Y448-V455 HydrophobicContact CE1-CG2 4.09Å; Y448-V455 HydrophobicContact CE2-CG2 4.3Å; Y448-V455 PolarHBondContact N-O 3.03Å; Y448-V455 CarbonylContact O-C 3.59Å; Y448-V455 PolarHBondContact O-N 3.39Å; Y448-V455 VanDerWaalsContact O-O 3.12Å; Y448-F465 CarbonylContact C-O 3.54Å; Y448-F465 WeakPolarHBondContact CA-O 3.18Å |
| 449 | C | 92 | Very high | 91.3 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 112.5 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | T454 L464 F465 C466 T467 T470 K474 | C449-T454 HydrophobicContact CB-CG2 3.92Å; C449-T454 PolarHBondContact SG-OG1 3.4Å; C449-L464 HydrophobicContact CB-CD1 4.1Å; C449-L464 HydrophobicContact CB-CD2 4.41Å; C449-F465 PolarHBondContact N-O 2.76Å; C449-C466 HydrophobicContact CB-CB 4.39Å; C449-C466 WeakPolarHBondContact O-CA 3.45Å; C449-C466 WeakPolarHBondContact O-CB 3.07Å; C449-T467 PolarHBondContact O-N 2.99Å; C449-T470 PolarHBondContact O-OG1 2.71Å; C449-K474 WeakPolarHBondContact SG-CE 3.26Å |
| 450 | V | 86.7 | Confident | 91.5 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 165.6 | -178.1 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | R424 A427 I428 F452 E453 T467 T470 | R424-V450 HydrophobicContact CB-CB 4.33Å; R424-V450 HydrophobicContact CB-CG2 4.38Å; R424-V450 HydrophobicContact CG-CB 4.21Å; R424-V450 HydrophobicContact CG-CG2 4.49Å; A427-V450 HydrophobicContact CB-CG1 3.61Å; I428-V450 HydrophobicContact CD1-CG2 4.26Å; I428-V450 HydrophobicContact CG1-CG2 4.47Å; V450-F452 PolarHBondContact O-N 2.79Å; V450-F452 VanDerWaalsContact O-N 3.11Å; V450-E453 HydrophobicContact CG2-CB 3.65Å; V450-E453 PolarHBondContact N-O 2.86Å; V450-E453 PolarHBondContact O-N 2.78Å; V450-E453 VanDerWaalsContact O-N 3.09Å; V450-T467 VanDerWaalsContact CA-OG1 3.3Å; V450-T467 WeakPolarHBondContact CA-OG1 3.17Å; V450-T467 HydrophobicContact CB-CG2 4.28Å; V450-T467 HydrophobicContact CG1-CG2 4Å; V450-T470 VanDerWaalsContact C-CG2 3.47Å |
| 451 | R | 77.1 | Confident | 91.6 | Very high | 75 Ų | 75 | 30.3 Ų | 30.3 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 125.2 | 172.8 | 178.2 | 173 | 166.6 | -177.2 | -6.4 | 108.6 | R424 E453 T467 P839 S868 | R424-R451 PolarHBondContact NE-O 2.66Å; R424-R451 PolarHBondContact NH2-O 2.78Å; R451-E453 PolarHBondContact O-N 3.44Å; R451-T467 PolarHBondContact N-OG1 3.48Å; R451-P839 HydrophobicContact CG-CB 4.29Å; R451-P839 PolarHBondContact NE-O 2.57Å; R451-P839 PolarHBondContact NH1-O 3.5Å; R451-P839 PolarHBondContact NH2-O 3.03Å; R451-S868 PolarHBondContact NH2-OG 3Å |
| 452 | F | 73.7 | Confident | 91.9 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 4% | 0.039 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 21.7 | -178.1 | -51.6 | -47.8 | 0 | 0 | 0 | 117.6 | V450 P839 L869 A940 Q943 | V450-F452 PolarHBondContact O-N 2.79Å; V450-F452 VanDerWaalsContact O-N 3.11Å; F452-P839 HydrophobicContact CD1-CG 4.42Å; F452-P839 HydrophobicContact CE1-CB 4.14Å; F452-P839 HydrophobicContact CE1-CG 3.43Å; F452-P839 VanDerWaalsContact CE1-CG 3.43Å; F452-P839 HydrophobicContact CZ-CB 4.17Å; F452-P839 HydrophobicContact CZ-CG 3.76Å; F452-L869 HydrophobicContact CD2-CD2 4.33Å; F452-L869 HydrophobicContact CE2-CD2 4.02Å; F452-A940 HydrophobicContact CD1-CB 4.11Å; F452-A940 HydrophobicContact CD2-CB 3.61Å; F452-A940 HydrophobicContact CE1-CB 3.94Å; F452-A940 HydrophobicContact CE2-CB 3.43Å; F452-A940 VanDerWaalsContact CE2-CB 3.43Å; F452-A940 HydrophobicContact CG-CB 3.96Å; F452-A940 HydrophobicContact CZ-CB 3.62Å; F452-Q943 VanDerWaalsContact C-OE1 3.3Å; F452-Q943 VanDerWaalsContact CA-NE2 3.35Å; F452-Q943 VanDerWaalsContact CA-OE1 3.26Å; F452-Q943 HydrophobicContact CD1-CB 3.93Å; F452-Q943 HydrophobicContact CE1-CB 4.39Å; F452-Q943 PolarHBondContact O-NE2 3.18Å |
| 453 | E | 77.5 | Confident | 92.1 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 15% | 0.145 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 139.6 | 173.4 | -155.7 | -179.2 | 167.3 | 0 | 0 | 112 | I428 Y448 V450 R451 R672 | I428-E453 WeakPolarHBondContact CD1-OE2 3.25Å; Y448-E453 HydrophobicContact CE2-CB 4.41Å; Y448-E453 HydrophobicContact CE2-CG 3.91Å; Y448-E453 PolarHBondContact OH-OE1 3.43Å; Y448-E453 VanDerWaalsContact OH-OE1 3.11Å; V450-E453 HydrophobicContact CG2-CB 3.65Å; V450-E453 PolarHBondContact N-O 2.86Å; V450-E453 PolarHBondContact O-N 2.78Å; V450-E453 VanDerWaalsContact O-N 3.09Å; R451-E453 PolarHBondContact O-N 3.44Å; E453-R672 IonicContact OE1-NE 3.77Å; E453-R672 IonicContact OE2-CZ 2.91Å; E453-R672 IonicContact OE2-NE 3.66Å; E453-R672 PolarHBondContact OE2-NE 3.23Å; E453-R672 IonicContact OE2-NH2 3.92Å; E453-R672 PolarHBondContact OE2-NH2 2.93Å |
| 454 | T | 86.3 | Confident | 92.2 | Very high | 55 Ų | 55 | 22 Ų | 22 | 34% | 0.337 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 134.9 | 177.4 | -65.7 | 0 | 0 | 0 | 0 | 112.9 | Y448 C449 Y456 | Y448-T454 CarbonylContact O-C 3.58Å; Y448-T454 WeakPolarHBondContact O-CA 3.38Å; C449-T454 HydrophobicContact CB-CG2 3.92Å; C449-T454 PolarHBondContact SG-OG1 3.4Å; T454-Y456 HydrophobicContact CG2-CD1 3.84Å; T454-Y456 HydrophobicContact CG2-CD2 3.97Å; T454-Y456 HydrophobicContact CG2-CE1 3.56Å; T454-Y456 HydrophobicContact CG2-CE2 3.7Å; T454-Y456 HydrophobicContact CG2-CG 4.03Å; T454-Y456 VanDerWaalsContact CG2-CZ 3.49Å |
| 455 | V | 92.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 19.4 Ų | 19.4 | 30% | 0.303 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 106.2 | 167.7 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | V442 G447 Y448 | V442-V455 HydrophobicContact CG1-CB 4.26Å; V442-V455 HydrophobicContact CG1-CG1 4.01Å; G447-V455 CarbonylContact C-O 3.53Å; G447-V455 WeakPolarHBondContact CA-O 3.45Å; Y448-V455 HydrophobicContact CE1-CB 4.21Å; Y448-V455 HydrophobicContact CE1-CG2 4.09Å; Y448-V455 HydrophobicContact CE2-CG2 4.3Å; Y448-V455 PolarHBondContact N-O 3.03Å; Y448-V455 CarbonylContact O-C 3.59Å; Y448-V455 PolarHBondContact O-N 3.39Å; Y448-V455 VanDerWaalsContact O-O 3.12Å |
| 456 | Y | 94.4 | Very high | 92.1 | Very high | 87 Ų | 87 | 19.5 Ų | 19.5 | 34% | 0.341 | 9% | 0.091 | S | C | . | . | trans | -78 | 143.5 | -180 | -66.8 | -60.5 | 0 | 0 | 0 | 111.9 | W319 T320 G443 T454 L464 K474 | W319-Y456 HydrophobicContact CB-CD1 3.62Å; W319-Y456 HydrophobicContact CB-CE1 4.01Å; W319-Y456 HydrophobicContact CB-CG 4.32Å; W319-Y456 WeakPolarHBondContact O-CE1 3.44Å; T320-Y456 HydrophobicContact CG2-CD2 4.08Å; T320-Y456 HydrophobicContact CG2-CE2 3.85Å; G443-Y456 WeakPolarHBondContact CA-O 3.47Å; T454-Y456 HydrophobicContact CG2-CD1 3.84Å; T454-Y456 HydrophobicContact CG2-CD2 3.97Å; T454-Y456 HydrophobicContact CG2-CE1 3.56Å; T454-Y456 HydrophobicContact CG2-CE2 3.7Å; T454-Y456 HydrophobicContact CG2-CG 4.03Å; T454-Y456 VanDerWaalsContact CG2-CZ 3.49Å; Y456-L464 HydrophobicContact CD1-CD1 4.34Å; Y456-L464 HydrophobicContact CD1-CD2 4.5Å; Y456-K474 PolarHBondContact OH-NZ 3.42Å | ||
| 457 | P | 96.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 20 Ų | 20 | 5% | 0.045 | 10% | 0.095 | C | C | . | . | trans | -79.3 | 176.6 | 164.9 | 36.6 | -33.3 | 0 | 0 | 0 | 110.9 | W319 G443 T444 L464 | W319-P457 HydrophobicContact CG-CG 4.48Å; G443-P457 WeakPolarHBondContact O-CA 3.42Å; T444-P457 WeakPolarHBondContact O-CB 3.32Å; P457-L464 HydrophobicContact CG-CB 4.48Å | ||
| 458 | R | 94.8 | Very high | 91 | Very high | 55 Ų | 55 | 20.2 Ų | 20.2 | 21% | 0.208 | 10% | 0.096 | C | C | . | . | trans | -53.9 | 154.4 | 170 | 68.5 | -179.9 | 177.9 | -139.8 | -3.9 | 113 | W319 T444 Y460 G461 S462 | W319-R458 PolarHBondContact NE1-O 3.47Å; T444-R458 WeakPolarHBondContact O-CG 3.26Å; T444-R458 PolarHBondContact O-N 3.23Å; R458-Y460 WeakPolarHBondContact CD-O 3.47Å; R458-Y460 WeakPolarHBondContact CG-O 3.26Å; R458-Y460 PolarHBondContact NE-O 3.19Å; R458-Y460 PolarHBondContact O-N 3.47Å; R458-G461 PolarHBondContact NE-O 3.09Å; R458-G461 PolarHBondContact NH2-O 3.31Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-OG 3.14Å | ||
| 459 | P | 94.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 7% | 0.065 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -60.1 | -36.9 | -174.4 | -25.2 | 35.8 | 0 | 0 | 0 | 115.5 | N317 P318 I324 E329 | N317-P459 HydrophobicContact CB-CB 4.24Å; N317-P459 HydrophobicContact CB-CG 4.43Å; P318-P459 VanDerWaalsContact CD-O 3.24Å; P318-P459 WeakPolarHBondContact CD-O 3.22Å; P318-P459 WeakPolarHBondContact CG-O 3.46Å; I324-P459 HydrophobicContact CD1-CB 3.9Å; I324-P459 HydrophobicContact CD1-CG 3.94Å; I324-P459 HydrophobicContact CG1-CG 4.5Å; E329-P459 WeakPolarHBondContact OE2-CD 3.17Å; E329-P459 WeakPolarHBondContact OE2-CG 3.32Å |
| 460 | Y | 95.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 21.8 Ų | 21.8 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -124 | 151.1 | -173.8 | -46.6 | -82 | 0 | 0 | 0 | 112.7 | N315 W316 I324 E329 L334 I337 A413 R458 | N315-Y460 PolarHBondContact N-OH 2.86Å; W316-Y460 PolarHBondContact N-OH 3.43Å; I324-Y460 HydrophobicContact CD1-CE2 3.71Å; I324-Y460 WeakPolarHBondContact CD1-OH 3.13Å; E329-Y460 HydrophobicContact CB-CE2 4.04Å; E329-Y460 HydrophobicContact CG-CE2 4.48Å; E329-Y460 PolarHBondContact O-OH 3.26Å; L334-Y460 HydrophobicContact CD2-CD1 3.9Å; L334-Y460 HydrophobicContact CD2-CE1 3.64Å; I337-Y460 HydrophobicContact CD1-CD2 3.95Å; I337-Y460 HydrophobicContact CD1-CE2 3.66Å; I337-Y460 HydrophobicContact CG2-CD2 4.05Å; I337-Y460 HydrophobicContact CG2-CG 4.43Å; A413-Y460 HydrophobicContact CB-CG 4.36Å; R458-Y460 WeakPolarHBondContact CD-O 3.47Å; R458-Y460 WeakPolarHBondContact CG-O 3.26Å; R458-Y460 PolarHBondContact NE-O 3.19Å; R458-Y460 PolarHBondContact O-N 3.47Å |
| 461 | G | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 63.6 | 49.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G412 C415 R458 | G412-G461 WeakPolarHBondContact O-CA 3.3Å; G412-G461 PolarHBondContact O-N 2.76Å; C415-G461 CarbonylContact O-C 3.47Å; C415-G461 WeakPolarHBondContact O-CA 3.43Å; C415-G461 PolarHBondContact O-N 2.79Å; R458-G461 PolarHBondContact NE-O 3.09Å; R458-G461 PolarHBondContact NH2-O 3.31Å |
| 462 | S | 97.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 162.6 | -166.7 | 54.6 | 0 | 0 | 0 | 0 | 115.1 | W319 C415 I417 S445 R458 | W319-S462 WeakPolarHBondContact CZ2-OG 3.22Å; W319-S462 PolarHBondContact NE1-OG 3.08Å; C415-S462 PolarHBondContact O-N 3.42Å; C415-S462 VanDerWaalsContact O-N 3.16Å; I417-S462 PolarHBondContact N-O 3.49Å; S445-S462 CarbonylContact O-C 3.57Å; S445-S462 WeakPolarHBondContact O-CA 3.17Å; S445-S462 VanDerWaalsContact O-CB 3.24Å; S445-S462 WeakPolarHBondContact O-CB 3.2Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-OG 3.14Å |
| 463 | I | 98.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.4 | -176.4 | -58.1 | 158.3 | 0 | 0 | 0 | 109.3 | P399 Q400 L403 I417 V419 S445 V446 G447 F465 | P399-I463 HydrophobicContact CB-CD1 3.99Å; P399-I463 HydrophobicContact CB-CG1 4.36Å; P399-I463 HydrophobicContact CB-CG2 4.14Å; Q400-I463 HydrophobicContact CG-CD1 4.39Å; L403-I463 HydrophobicContact CB-CD1 4.34Å; L403-I463 HydrophobicContact CB-CG1 4.49Å; L403-I463 HydrophobicContact CD2-CD1 3.89Å; L403-I463 HydrophobicContact CD2-CG1 3.98Å; I417-I463 HydrophobicContact CB-CG1 4.17Å; I417-I463 HydrophobicContact CD1-CG1 4.19Å; I417-I463 CarbonylContact O-C 3.55Å; I417-I463 WeakPolarHBondContact O-CA 3.34Å; V419-I463 HydrophobicContact CG2-CG2 3.82Å; S445-I463 PolarHBondContact O-N 2.71Å; V446-I463 WeakPolarHBondContact CA-O 3.42Å; G447-I463 PolarHBondContact N-O 3.08Å; I463-F465 HydrophobicContact CG2-CD2 3.97Å; I463-F465 HydrophobicContact CG2-CE2 3.57Å; I463-F465 HydrophobicContact CG2-CZ 4.43Å |
| 464 | L | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.8 | 171.7 | -179.5 | 64.7 | 0 | 0 | 0 | 110.3 | W319 I417 L418 V419 C449 Y456 P457 | W319-L464 HydrophobicContact CB-CD2 4.25Å; W319-L464 HydrophobicContact CD2-CB 4.04Å; W319-L464 HydrophobicContact CD2-CD2 4Å; W319-L464 HydrophobicContact CE3-CB 3.69Å; W319-L464 HydrophobicContact CE3-CD2 3.47Å; W319-L464 VanDerWaalsContact CE3-CD2 3.47Å; W319-L464 HydrophobicContact CE3-CG 4.21Å; W319-L464 HydrophobicContact CG-CD2 4.35Å; W319-L464 HydrophobicContact CH2-CB 4.01Å; W319-L464 HydrophobicContact CZ2-CB 4.36Å; W319-L464 HydrophobicContact CZ3-CB 3.68Å; W319-L464 HydrophobicContact CZ3-CD2 4.13Å; I417-L464 PolarHBondContact O-N 3.18Å; L418-L464 HydrophobicContact CD1-CB 4.13Å; L418-L464 HydrophobicContact CD1-CD2 3.98Å; L418-L464 HydrophobicContact CD1-CG 4.11Å; V419-L464 PolarHBondContact N-O 3.35Å; C449-L464 HydrophobicContact CB-CD1 4.1Å; C449-L464 HydrophobicContact CB-CD2 4.41Å; Y456-L464 HydrophobicContact CD1-CD1 4.34Å; Y456-L464 HydrophobicContact CD1-CD2 4.5Å; P457-L464 HydrophobicContact CG-CB 4.48Å |
| 465 | F | 96.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 145.3 | 166.1 | -78.8 | -96.4 | 0 | 0 | 0 | 110.6 | T395 P399 V419 Q421 A427 L430 A431 I434 V446 G447 Y448 C449 I463 | T395-F465 HydrophobicContact CG2-CE1 4.36Å; P399-F465 HydrophobicContact CG-CZ 4.44Å; V419-F465 HydrophobicContact CB-CD1 3.87Å; V419-F465 HydrophobicContact CB-CE1 3.75Å; V419-F465 HydrophobicContact CB-CE2 4.45Å; V419-F465 HydrophobicContact CB-CG 4.27Å; V419-F465 HydrophobicContact CB-CZ 4.03Å; V419-F465 HydrophobicContact CG1-CD1 3.89Å; V419-F465 HydrophobicContact CG1-CE1 3.45Å; V419-F465 VanDerWaalsContact CG1-CE1 3.45Å; V419-F465 HydrophobicContact CG1-CZ 3.98Å; V419-F465 HydrophobicContact CG2-CE1 4.32Å; V419-F465 HydrophobicContact CG2-CE2 4.35Å; V419-F465 HydrophobicContact CG2-CZ 4.1Å; V419-F465 CarbonylContact O-C 3.59Å; V419-F465 VanDerWaalsContact O-CA 3.31Å; V419-F465 WeakPolarHBondContact O-CA 3.46Å; Q421-F465 HydrophobicContact CG-CD1 3.99Å; A427-F465 HydrophobicContact CB-CB 4.17Å; A427-F465 WeakPolarHBondContact O-CB 3.4Å; L430-F465 HydrophobicContact CB-CD1 4Å; L430-F465 HydrophobicContact CB-CE1 3.75Å; L430-F465 HydrophobicContact CB-CZ 4.2Å; L430-F465 HydrophobicContact CD1-CD1 4.38Å; L430-F465 HydrophobicContact CD1-CE1 4.04Å; A431-F465 HydrophobicContact CB-CB 4.31Å; A431-F465 HydrophobicContact CB-CD2 4.04Å; A431-F465 HydrophobicContact CB-CG 4.35Å; I434-F465 HydrophobicContact CD1-CE1 4.38Å; I434-F465 HydrophobicContact CD1-CE2 3.49Å; I434-F465 VanDerWaalsContact CD1-CE2 3.49Å; I434-F465 HydrophobicContact CD1-CZ 3.29Å; V446-F465 HydrophobicContact CG1-CD2 4.34Å; V446-F465 HydrophobicContact CG1-CE2 4.41Å; G447-F465 PolarHBondContact O-N 3.08Å; Y448-F465 CarbonylContact C-O 3.54Å; Y448-F465 WeakPolarHBondContact CA-O 3.18Å; C449-F465 PolarHBondContact N-O 2.76Å; I463-F465 HydrophobicContact CG2-CD2 3.97Å; I463-F465 HydrophobicContact CG2-CE2 3.57Å; I463-F465 HydrophobicContact CG2-CZ 4.43Å |
| 466 | C | 94.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.8 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | V419 T420 Q421 C449 | V419-C466 PolarHBondContact O-N 3.43Å; T420-C466 CarbonylContact C-O 3.22Å; T420-C466 WeakPolarHBondContact CA-O 3.31Å; Q421-C466 PolarHBondContact N-O 3.5Å; C449-C466 HydrophobicContact CB-CB 4.39Å; C449-C466 WeakPolarHBondContact O-CA 3.45Å; C449-C466 WeakPolarHBondContact O-CB 3.07Å |
| 467 | T | 89.5 | Confident | 87.4 | Confident | 12 Ų | 12 | 17.3 Ų | 17.3 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.9 | 162.9 | 37.7 | 0 | 0 | 0 | 0 | 110.8 | Q421 R424 C449 V450 R451 G469 T470 M471 | Q421-T467 WeakPolarHBondContact O-CA 3.34Å; R424-T467 HydrophobicContact CB-CG2 4.41Å; R424-T467 HydrophobicContact CG-CG2 3.97Å; C449-T467 PolarHBondContact O-N 2.99Å; V450-T467 VanDerWaalsContact CA-OG1 3.3Å; V450-T467 WeakPolarHBondContact CA-OG1 3.17Å; V450-T467 HydrophobicContact CB-CG2 4.28Å; V450-T467 HydrophobicContact CG1-CG2 4Å; R451-T467 PolarHBondContact N-OG1 3.48Å; T467-G469 PolarHBondContact O-N 2.9Å; T467-T470 WeakPolarHBondContact CA-OG1 3.47Å; T467-T470 PolarHBondContact N-OG1 3.1Å; T467-T470 PolarHBondContact O-N 3.4Å; T467-T470 PolarHBondContact O-OG1 2.76Å; T467-T470 PolarHBondContact OG1-OG1 2.82Å; T467-M471 PolarHBondContact O-N 3.01Å |
| 468 | V | 82 | Confident | 86.8 | Confident | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.024 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | -173.9 | -161.9 | 0 | 0 | 0 | 0 | 112.4 | Q421 T470 M471 A472 N496 M500 | Q421-V468 PolarHBondContact O-N 2.78Å; V468-T470 VanDerWaalsContact C-N 3.3Å; V468-T470 PolarHBondContact O-N 3.44Å; V468-M471 VanDerWaalsContact O-CB 3.28Å; V468-M471 WeakPolarHBondContact O-CB 3.44Å; V468-M471 PolarHBondContact O-N 2.82Å; V468-M471 VanDerWaalsContact O-N 3.08Å; V468-A472 PolarHBondContact O-N 3.1Å; V468-N496 HydrophobicContact CB-CB 3.75Å; V468-N496 VanDerWaalsContact CG1-C 3.49Å; V468-N496 HydrophobicContact CG1-CB 3.72Å; V468-N496 WeakPolarHBondContact CG1-O 3.3Å; V468-M500 HydrophobicContact CG1-CB 3.97Å; V468-M500 HydrophobicContact CG1-CG 3.36Å |
| 469 | G | 76.5 | Confident | 86.6 | Confident | 29 Ų | 29 | 15.1 Ų | 15.1 | 30% | 0.299 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -63.8 | -28.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T467 R473 | T467-G469 PolarHBondContact O-N 2.9Å; G469-R473 PolarHBondContact O-N 2.79Å |
| 470 | T | 79.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 14.8 Ų | 14.8 | 17% | 0.166 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76.2 | -32.5 | 171.1 | 27.8 | 0 | 0 | 0 | 0 | 112.7 | C449 V450 T467 V468 K474 | C449-T470 PolarHBondContact O-OG1 2.71Å; V450-T470 VanDerWaalsContact C-CG2 3.47Å; T467-T470 WeakPolarHBondContact CA-OG1 3.47Å; T467-T470 PolarHBondContact N-OG1 3.1Å; T467-T470 PolarHBondContact O-N 3.4Å; T467-T470 PolarHBondContact O-OG1 2.76Å; T467-T470 PolarHBondContact OG1-OG1 2.82Å; V468-T470 VanDerWaalsContact C-N 3.3Å; V468-T470 PolarHBondContact O-N 3.44Å; T470-K474 PolarHBondContact O-N 2.89Å |
| 471 | M | 81.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 171.4 | -166.8 | -159 | -168.8 | 0 | 0 | 110.4 | L418 T420 T467 V468 R473 K474 M475 L479 V485 M500 L504 | L418-M471 HydrophobicContact CD2-CE 3.49Å; L418-M471 VanDerWaalsContact CD2-CE 3.49Å; L418-M471 HydrophobicContact CD2-CG 4.01Å; L418-M471 HydrophobicContact CG-CE 4.06Å; T420-M471 HydrophobicContact CG2-CB 4.38Å; T420-M471 HydrophobicContact CG2-CE 4.18Å; T420-M471 HydrophobicContact CG2-CG 4.24Å; T420-M471 HydrophobicContact CG2-SD 3.32Å; T420-M471 WeakPolarHBondContact CG2-SD 3.28Å; T467-M471 PolarHBondContact O-N 3.01Å; V468-M471 VanDerWaalsContact O-CB 3.28Å; V468-M471 WeakPolarHBondContact O-CB 3.44Å; V468-M471 PolarHBondContact O-N 2.82Å; V468-M471 VanDerWaalsContact O-N 3.08Å; M471-R473 VanDerWaalsContact C-N 3.26Å; M471-R473 PolarHBondContact O-N 2.78Å; M471-K474 WeakPolarHBondContact O-CA 3.25Å; M471-K474 WeakPolarHBondContact O-CB 3.46Å; M471-K474 PolarHBondContact O-N 3.09Å; M471-M475 HydrophobicContact CE-CE 3.38Å; M471-M475 HydrophobicContact CG-CE 4.05Å; M471-M475 WeakPolarHBondContact O-CG 3Å; M471-M475 PolarHBondContact O-N 2.86Å; M471-M475 VanDerWaalsContact O-N 3.13Å; M471-M475 HydrophobicContact SD-CE 3.77Å; M471-L479 HydrophobicContact CE-CD1 4.22Å; M471-V485 HydrophobicContact CE-CB 4.47Å; M471-V485 HydrophobicContact CE-CG1 3.57Å; M471-V485 HydrophobicContact CE-CG2 4Å; M471-M500 HydrophobicContact CE-CE 4.3Å; M471-M500 HydrophobicContact SD-CE 3.72Å; M471-M500 HydrophobicContact SD-CG 4.31Å; M471-M500 HydrophobicContact SD-SD 4.06Å; M471-L504 HydrophobicContact CE-CD2 4.37Å |
| 472 | A | 74.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.4 | -38.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V468 M475 F499 M500 L784 | V468-A472 PolarHBondContact O-N 3.1Å; A472-M475 WeakPolarHBondContact O-CB 3.35Å; A472-M475 PolarHBondContact O-N 3.41Å; A472-F499 HydrophobicContact CB-CD1 4.49Å; A472-F499 HydrophobicContact CB-CE1 3.87Å; A472-M500 HydrophobicContact CB-SD 4.14Å; A472-L784 HydrophobicContact CB-CD1 4.01Å; A472-L784 HydrophobicContact CB-CD2 3.67Å; A472-L784 HydrophobicContact CB-CG 4.33Å |
| 473 | R | 74.5 | Confident | 86.1 | Confident | 79 Ų | 79 | 15.2 Ų | 15.2 | 30% | 0.298 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -75 | -31.1 | 174.4 | -66.6 | -170.8 | -177.6 | 167.3 | 4.4 | 114.1 | G469 M471 M475 E476 L784 A836 R837 L838 | G469-R473 PolarHBondContact O-N 2.79Å; M471-R473 VanDerWaalsContact C-N 3.26Å; M471-R473 PolarHBondContact O-N 2.78Å; R473-M475 PolarHBondContact O-N 2.93Å; R473-E476 VanDerWaalsContact O-CB 3.31Å; R473-E476 WeakPolarHBondContact O-CB 3.45Å; R473-E476 PolarHBondContact O-N 3.23Å; R473-E476 VanDerWaalsContact O-N 3.16Å; R473-L784 HydrophobicContact CG-CD1 4.39Å; R473-A836 PolarHBondContact NE-O 3.26Å; R473-A836 PolarHBondContact NH2-O 3.19Å; R473-R837 PolarHBondContact NH1-O 3.13Å; R473-L838 VanDerWaalsContact CZ-O 3.29Å; R473-L838 PolarHBondContact NH1-O 3.23Å; R473-L838 VanDerWaalsContact NH1-O 3.12Å; R473-L838 PolarHBondContact NH2-O 2.94Å |
| 474 | K | 76.9 | Confident | 86.1 | Confident | 45 Ų | 45 | 15.5 Ų | 15.5 | 20% | 0.196 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.9 | -28.2 | 170.9 | -76.7 | -172.8 | 174.5 | -64.8 | 0 | 112.4 | W319 C449 Y456 T470 M471 E476 G477 | W319-K474 PolarHBondContact O-NZ 3.41Å; C449-K474 WeakPolarHBondContact SG-CE 3.26Å; Y456-K474 PolarHBondContact OH-NZ 3.42Å; T470-K474 PolarHBondContact O-N 2.89Å; M471-K474 WeakPolarHBondContact O-CA 3.25Å; M471-K474 WeakPolarHBondContact O-CB 3.46Å; M471-K474 PolarHBondContact O-N 3.09Å; K474-E476 PolarHBondContact O-N 2.99Å; K474-E476 VanDerWaalsContact O-N 3.12Å; K474-G477 PolarHBondContact O-N 3.25Å |
| 475 | M | 82 | Confident | 86.1 | Confident | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.02 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -63.4 | -13.4 | 175.6 | -59.7 | -148.5 | 170.2 | 0 | 0 | 114.5 | V307 M471 A472 R473 G477 G478 L479 M500 L503 L504 M507 L788 | V307-M475 HydrophobicContact CB-SD 4.39Å; V307-M475 HydrophobicContact CG1-CB 3.79Å; V307-M475 HydrophobicContact CG1-CG 4.15Å; V307-M475 HydrophobicContact CG1-SD 3.87Å; V307-M475 HydrophobicContact CG2-CB 4.04Å; V307-M475 HydrophobicContact CG2-SD 4.02Å; M471-M475 HydrophobicContact CE-CE 3.38Å; M471-M475 HydrophobicContact CG-CE 4.05Å; M471-M475 WeakPolarHBondContact O-CG 3Å; M471-M475 PolarHBondContact O-N 2.86Å; M471-M475 VanDerWaalsContact O-N 3.13Å; M471-M475 HydrophobicContact SD-CE 3.77Å; A472-M475 WeakPolarHBondContact O-CB 3.35Å; A472-M475 PolarHBondContact O-N 3.41Å; R473-M475 PolarHBondContact O-N 2.93Å; M475-G477 PolarHBondContact O-N 2.83Å; M475-G478 WeakPolarHBondContact O-CA 3.39Å; M475-G478 PolarHBondContact O-N 3.18Å; M475-L479 HydrophobicContact CE-CD1 3.42Å; M475-L479 VanDerWaalsContact CE-CD1 3.42Å; M475-L479 HydrophobicContact CE-CD2 4.05Å; M475-L479 HydrophobicContact CE-CG 3.85Å; M475-L479 HydrophobicContact CG-CD2 4.34Å; M475-L479 HydrophobicContact CG-CG 4.42Å; M475-L479 HydrophobicContact SD-CD1 4.45Å; M475-L479 HydrophobicContact SD-CG 4.46Å; M475-M500 HydrophobicContact CE-CE 3.16Å; M475-M500 HydrophobicContact CE-SD 4.09Å; M475-M500 HydrophobicContact SD-CE 3.73Å; M475-M500 HydrophobicContact SD-SD 4.29Å; M475-L503 HydrophobicContact SD-CD1 3.83Å; M475-L504 HydrophobicContact CE-CD2 4.36Å; M475-M507 HydrophobicContact CE-SD 4.44Å; M475-M507 HydrophobicContact SD-SD 4.2Å; M475-L788 VanDerWaalsContact C-CD2 3.49Å; M475-L788 HydrophobicContact CB-CD1 4.29Å; M475-L788 HydrophobicContact CB-CD2 3.89Å |
| 476 | E | 79.2 | Confident | 86.1 | Confident | 67 Ų | 67 | 15.5 Ų | 15.5 | 31% | 0.313 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -61.6 | -30.9 | 169.8 | -169.4 | -178.1 | -161 | 0 | 0 | 111.9 | R473 K474 G478 L787 L788 R837 | R473-E476 VanDerWaalsContact O-CB 3.31Å; R473-E476 WeakPolarHBondContact O-CB 3.45Å; R473-E476 PolarHBondContact O-N 3.23Å; R473-E476 VanDerWaalsContact O-N 3.16Å; K474-E476 PolarHBondContact O-N 2.99Å; K474-E476 VanDerWaalsContact O-N 3.12Å; E476-G478 VanDerWaalsContact C-N 3.31Å; E476-L787 WeakPolarHBondContact OE1-CD1 3.2Å; E476-L788 HydrophobicContact CB-CD2 4.16Å; E476-L788 VanDerWaalsContact N-CD2 3.33Å; E476-R837 IonicContact OE1-CZ 2.75Å; E476-R837 IonicContact OE1-NE 2.73Å; E476-R837 PolarHBondContact OE1-NE 3.01Å; E476-R837 IonicContact OE1-NH2 3.95Å; E476-R837 PolarHBondContact OE1-NH2 3.24Å; E476-R837 IonicContact OE2-CZ 3.94Å; E476-R837 IonicContact OE2-NE 2.91Å; E476-R837 PolarHBondContact OE2-NE 3.25Å; E476-R837 IonicContact OE2-NH2 2.93Å |
| 477 | G | 76.2 | Confident | 86.1 | Confident | 21 Ų | 21 | 15.4 Ų | 15.4 | 22% | 0.216 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -83.5 | -2.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K474 M475 R480 | K474-G477 PolarHBondContact O-N 3.25Å; M475-G477 PolarHBondContact O-N 2.83Å; G477-R480 PolarHBondContact O-NH1 3.28Å |
| 478 | G | 84.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 14.9 Ų | 14.9 | 9% | 0.093 | 9% | 0.085 | C | C | . | . | trans | 74 | 174.8 | -162 | 0 | 0 | 0 | 0 | 0 | 113.3 | A308 M475 E476 | A308-G478 CarbonylContact O-C 3.53Å; A308-G478 WeakPolarHBondContact O-CA 3.41Å; M475-G478 WeakPolarHBondContact O-CA 3.39Å; M475-G478 PolarHBondContact O-N 3.18Å; E476-G478 VanDerWaalsContact C-N 3.31Å | ||
| 479 | L | 90.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 15.1 Ų | 15.1 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | trans | -100.4 | 39.8 | 170.5 | -68.7 | -174.1 | 0 | 0 | 0 | 111.6 | A308 L418 M471 M475 G481 V482 V485 M507 | A308-L479 PolarHBondContact O-N 3.42Å; L418-L479 HydrophobicContact CD2-CD2 3.75Å; M471-L479 HydrophobicContact CE-CD1 4.22Å; M475-L479 HydrophobicContact CE-CD1 3.42Å; M475-L479 VanDerWaalsContact CE-CD1 3.42Å; M475-L479 HydrophobicContact CE-CD2 4.05Å; M475-L479 HydrophobicContact CE-CG 3.85Å; M475-L479 HydrophobicContact CG-CD2 4.34Å; M475-L479 HydrophobicContact CG-CG 4.42Å; M475-L479 HydrophobicContact SD-CD1 4.45Å; M475-L479 HydrophobicContact SD-CG 4.46Å; L479-G481 PolarHBondContact O-N 2.75Å; L479-V482 HydrophobicContact CB-CB 4.25Å; L479-V482 HydrophobicContact CB-CG2 4.28Å; L479-V482 HydrophobicContact CD2-CG2 4.31Å; L479-V482 PolarHBondContact O-N 3.39Å; L479-V485 HydrophobicContact CD1-CG2 3.93Å; L479-M507 HydrophobicContact CB-CE 4.05Å; L479-M507 HydrophobicContact CD1-CE 3.76Å; L479-M507 HydrophobicContact CD1-SD 4.18Å; L479-M507 HydrophobicContact CG-CE 4.06Å | ||
| 480 | R | 89.7 | Confident | 87 | Confident | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 126.7 | 178.2 | -70.9 | -168.3 | -179.3 | 65.2 | 4.8 | 110.7 | V51 D69 C310 F313 W316 P318 G477 | V51-R480 PolarHBondContact O-NH2 3.1Å; D69-R480 IonicContact OD2-CZ 3.59Å; D69-R480 IonicContact OD2-NE 3.81Å; D69-R480 PolarHBondContact OD2-NE 2.76Å; D69-R480 IonicContact OD2-NH2 2.66Å; C310-R480 VanDerWaalsContact SG-CB 3.56Å; C310-R480 WeakPolarHBondContact SG-CG 3.17Å; F313-R480 HydrophobicContact CE1-CB 4.35Å; W316-R480 HydrophobicContact CZ2-CB 3.83Å; W316-R480 PolarHBondContact NE1-O 2.94Å; P318-R480 WeakPolarHBondContact CB-O 3.36Å; G477-R480 PolarHBondContact O-NH1 3.28Å |
| 481 | G | 92.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 2% | 0.021 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 11.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C310 S416 L479 | C310-G481 PolarHBondContact O-N 3.02Å; S416-G481 WeakPolarHBondContact CB-O 3.24Å; S416-G481 PolarHBondContact OG-O 2.85Å; L479-G481 PolarHBondContact O-N 2.75Å |
| 482 | V | 95.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | trans | -96.5 | 113.2 | 171.2 | 180 | 0 | 0 | 0 | 0 | 109.2 | W309 P318 W319 L418 L479 H484 V485 | W309-V482 PolarHBondContact NE1-O 3.11Å; P318-V482 HydrophobicContact CB-CG2 4.13Å; W319-V482 HydrophobicContact CZ3-CG2 4.21Å; L418-V482 HydrophobicContact CB-CG1 3.86Å; L418-V482 HydrophobicContact CD2-CG1 4.48Å; L479-V482 HydrophobicContact CB-CB 4.25Å; L479-V482 HydrophobicContact CB-CG2 4.28Å; L479-V482 HydrophobicContact CD2-CG2 4.31Å; L479-V482 PolarHBondContact O-N 3.39Å; V482-H484 WeakPolarHBondContact CG1-O 3.27Å; V482-V485 HydrophobicContact CG1-CG2 4.08Å | ||
| 483 | S | 96.1 | Very high | 87.8 | Confident | 9 Ų | 9 | 16.9 Ų | 16.9 | 6% | 0.063 | 8% | 0.084 | C | C | . | . | trans | -79.2 | -39.1 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | E414 S416 R515 | E414-S483 WeakPolarHBondContact O-CB 3.38Å; S416-S483 PolarHBondContact N-OG 2.86Å; S416-S483 PolarHBondContact O-N 3.32Å; S416-S483 PolarHBondContact O-OG 3.4Å; S483-R515 PolarHBondContact O-N 3.34Å | ||
| 484 | H | 97.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 2% | 0.023 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.4 | -174.4 | -64.9 | 77.4 | 0 | 0 | 0 | 110.5 | Y406 S416 I417 L418 V482 R515 | Y406-H484 AromaticContact CE2-CE1 3.78Å; Y406-H484 AromaticContact CZ-CE1 3.87Å; S416-H484 PolarHBondContact O-N 3.1Å; I417-H484 WeakPolarHBondContact CA-O 3.4Å; I417-H484 HydrophobicContact CB-CB 4.48Å; I417-H484 HydrophobicContact CG1-CB 4.22Å; I417-H484 HydrophobicContact CG2-CB 4.19Å; L418-H484 PolarHBondContact N-O 3.43Å; V482-H484 WeakPolarHBondContact CG1-O 3.27Å; H484-R515 WeakPolarHBondContact CA-O 3.38Å; H484-R515 VanDerWaalsContact CD2-CB 3.47Å; H484-R515 WeakPolarHBondContact CD2-CB 3.38Å |
| 485 | V | 96.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.5 | 166 | 174.8 | 0 | 0 | 0 | 0 | 108.5 | L418 M471 L479 V482 V487 L504 L514 R515 L516 V517 | L418-V485 CarbonylContact O-C 3.55Å; L418-V485 WeakPolarHBondContact O-CA 3.46Å; M471-V485 HydrophobicContact CE-CB 4.47Å; M471-V485 HydrophobicContact CE-CG1 3.57Å; M471-V485 HydrophobicContact CE-CG2 4Å; L479-V485 HydrophobicContact CD1-CG2 3.93Å; V482-V485 HydrophobicContact CG1-CG2 4.08Å; V485-V487 HydrophobicContact CG1-CG2 4.17Å; V485-L504 HydrophobicContact CB-CD2 4.2Å; V485-L504 HydrophobicContact CG1-CD1 3.81Å; V485-L504 HydrophobicContact CG1-CD2 3.84Å; V485-L504 HydrophobicContact CG2-CD2 4.12Å; V485-L514 HydrophobicContact CG2-CD1 4.26Å; V485-R515 PolarHBondContact N-O 3.15Å; V485-L516 HydrophobicContact CB-CD1 4.28Å; V485-L516 HydrophobicContact CG1-CD1 4.09Å; V485-L516 CarbonylContact O-C 3.53Å; V485-L516 WeakPolarHBondContact O-CA 3.48Å; V485-V517 PolarHBondContact O-N 3.09Å |
| 486 | I | 97 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.4 | 177.7 | -52.8 | -174.5 | 0 | 0 | 0 | 107.7 | P399 I402 I417 L418 V419 T420 V517 M519 | P399-I486 HydrophobicContact CB-CD1 4.16Å; P399-I486 HydrophobicContact CG-CD1 3.95Å; I402-I486 HydrophobicContact CD1-CD1 4.07Å; I417-I486 HydrophobicContact CG2-CD1 3.61Å; I417-I486 HydrophobicContact CG2-CG1 3.97Å; L418-I486 PolarHBondContact O-N 2.89Å; V419-I486 CarbonylContact C-O 3.52Å; V419-I486 WeakPolarHBondContact CA-O 3.39Å; V419-I486 HydrophobicContact CB-CB 4.47Å; V419-I486 HydrophobicContact CG1-CB 4.2Å; V419-I486 HydrophobicContact CG1-CG2 4.23Å; V419-I486 HydrophobicContact CG2-CB 4.2Å; V419-I486 HydrophobicContact CG2-CD1 4.25Å; V419-I486 HydrophobicContact CG2-CG1 4.49Å; T420-I486 PolarHBondContact N-O 3.34Å; I486-V517 CarbonylContact C-O 3.47Å; I486-V517 WeakPolarHBondContact CA-O 3.27Å; I486-V517 HydrophobicContact CB-CB 4.43Å; I486-V517 HydrophobicContact CG1-CB 4.08Å; I486-V517 HydrophobicContact CG1-CG2 4.26Å; I486-V517 HydrophobicContact CG2-CB 4.23Å; I486-M519 HydrophobicContact CG2-CE 3.5Å; I486-M519 VanDerWaalsContact CG2-CE 3.5Å; I486-M519 HydrophobicContact CG2-CG 4Å; I486-M519 HydrophobicContact CG2-SD 3.73Å |
| 487 | V | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 111.1 | 175.2 | -164.9 | 0 | 0 | 0 | 0 | 108.1 | T420 V485 I490 T497 L504 L516 V517 L518 M519 | T420-V487 WeakPolarHBondContact OG1-CA 3.36Å; T420-V487 WeakPolarHBondContact OG1-CG1 3.34Å; V485-V487 HydrophobicContact CG1-CG2 4.17Å; V487-I490 HydrophobicContact CB-CG2 3.86Å; V487-I490 HydrophobicContact CG1-CG2 3.36Å; V487-T497 HydrophobicContact CG1-CG2 4.36Å; V487-L504 HydrophobicContact CG2-CD1 3.54Å; V487-L516 HydrophobicContact CG2-CD1 3.91Å; V487-V517 PolarHBondContact N-O 2.85Å; V487-L518 HydrophobicContact CB-CD2 3.79Å; V487-L518 HydrophobicContact CG2-CD2 3.88Å; V487-M519 PolarHBondContact O-N 3.23Å |
| 488 | D | 91.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | trans | -101.4 | 159.5 | -175.6 | -164.8 | 23.4 | 0 | 0 | 0 | 113.1 | T395 Q421 I490 M519 | T395-D488 WeakPolarHBondContact CB-OD2 3.09Å; T395-D488 WeakPolarHBondContact CG2-OD2 3.29Å; T395-D488 PolarHBondContact OG1-OD2 3.07Å; Q421-D488 VanDerWaalsContact NE2-CB 3.29Å; Q421-D488 PolarHBondContact NE2-OD2 3.15Å; D488-I490 PolarHBondContact O-N 2.84Å; D488-I490 VanDerWaalsContact O-N 3.17Å; D488-M519 HydrophobicContact CB-CE 3.76Å; D488-M519 VanDerWaalsContact CG-CE 3.44Å; D488-M519 WeakPolarHBondContact OD1-CB 3.5Å; D488-M519 WeakPolarHBondContact OD1-CE 3.49Å | ||
| 489 | E | 87.2 | Confident | 90.6 | Very high | 9 Ų | 9 | 10.9 Ų | 10.9 | 4% | 0.042 | 6% | 0.056 | C | C | . | . | trans | 49.3 | 34.3 | -178.2 | -51.6 | -78 | -131.6 | 0 | 0 | 113.6 | P422 H491 E492 M519 S698 S699 R744 | P422-E489 HydrophobicContact CG-CB 4.41Å; E489-H491 PolarHBondContact O-N 3.26Å; E489-H491 IonicContact OE2-CE1 3.16Å; E489-H491 PolarHBondContact OE2-CE1 3.29Å; E489-H491 VanDerWaalsContact OE2-CE1 3.31Å; E489-E492 HydrophobicContact CB-CG 4.49Å; E489-E492 PolarHBondContact O-N 3.15Å; E489-M519 PolarHBondContact N-O 2.9Å; E489-M519 VanDerWaalsContact N-O 3.11Å; E489-S698 WeakPolarHBondContact OE1-CA 3.44Å; E489-S698 WeakPolarHBondContact OE1-CB 3.37Å; E489-S699 PolarHBondContact OE1-N 3.4Å; E489-R744 IonicContact OE1-NH2 3.24Å | ||
| 490 | I | 89.1 | Confident | 90.6 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -58.8 | -7.7 | -173.8 | 50.8 | 152.8 | 0 | 0 | 0 | 116.3 | V487 D488 E492 R493 T497 L518 M519 I523 F528 | V487-I490 HydrophobicContact CB-CG2 3.86Å; V487-I490 HydrophobicContact CG1-CG2 3.36Å; D488-I490 PolarHBondContact O-N 2.84Å; D488-I490 VanDerWaalsContact O-N 3.17Å; I490-E492 VanDerWaalsContact C-N 3.25Å; I490-E492 PolarHBondContact O-N 2.83Å; I490-R493 WeakPolarHBondContact O-CD 3.31Å; I490-T497 HydrophobicContact CG2-CG2 4.22Å; I490-L518 HydrophobicContact CD1-CB 3.94Å; I490-M519 WeakPolarHBondContact CG1-O 3.43Å; I490-M519 PolarHBondContact N-O 2.74Å; I490-I523 HydrophobicContact CB-CD1 4.48Å; I490-I523 HydrophobicContact CD1-CD1 3.66Å; I490-I523 HydrophobicContact CG1-CD1 3.77Å; I490-F528 HydrophobicContact CB-CE1 4.25Å; I490-F528 HydrophobicContact CD1-CD1 3.6Å; I490-F528 HydrophobicContact CD1-CE1 3.55Å; I490-F528 HydrophobicContact CD1-CG 4.22Å; I490-F528 HydrophobicContact CD1-CZ 4.18Å; I490-F528 HydrophobicContact CG1-CE1 4.4Å |
| 491 | H | 84.2 | Confident | 90.8 | Very high | 21 Ų | 21 | 10.5 Ų | 10.5 | 10% | 0.097 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -76.4 | -8.1 | 172 | 61.9 | -82.1 | 0 | 0 | 0 | 113.4 | E489 S520 I523 Q740 | E489-H491 PolarHBondContact O-N 3.26Å; E489-H491 IonicContact OE2-CE1 3.16Å; E489-H491 PolarHBondContact OE2-CE1 3.29Å; E489-H491 VanDerWaalsContact OE2-CE1 3.31Å; H491-S520 PolarHBondContact ND1-OG 3.2Å; H491-I523 HydrophobicContact CB-CB 4.25Å; H491-I523 HydrophobicContact CB-CD1 3.91Å; H491-I523 HydrophobicContact CB-CG1 3.96Å; H491-Q740 PolarHBondContact CE1-NE2 2.7Å; H491-Q740 PolarHBondContact NE2-NE2 3.49Å |
| 492 | E | 80.9 | Confident | 90.8 | Very high | 51 Ų | 51 | 10.4 Ų | 10.4 | 24% | 0.238 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -73.9 | -24.6 | 177.1 | -72.7 | -158.6 | -129.4 | 0 | 0 | 114.3 | P422 R423 E489 I490 D494 S698 | P422-E492 WeakPolarHBondContact CG-OE1 3.45Å; R423-E492 IonicContact CZ-OE1 3.5Å; R423-E492 IonicContact CZ-OE2 2.8Å; R423-E492 IonicContact NH1-OE1 3.42Å; R423-E492 PolarHBondContact NH1-OE1 2.67Å; R423-E492 IonicContact NH1-OE2 2.73Å; R423-E492 PolarHBondContact NH1-OE2 2.53Å; R423-E492 IonicContact NH2-OE1 2.97Å; R423-E492 IonicContact NH2-OE2 2.75Å; R423-E492 PolarHBondContact NH2-OE2 3.45Å; E489-E492 HydrophobicContact CB-CG 4.49Å; E489-E492 PolarHBondContact O-N 3.15Å; I490-E492 VanDerWaalsContact C-N 3.25Å; I490-E492 PolarHBondContact O-N 2.83Å; E492-D494 VanDerWaalsContact C-N 3.26Å; E492-D494 PolarHBondContact O-N 3.43Å; E492-S698 WeakPolarHBondContact OE1-CB 3.49Å; E492-S698 PolarHBondContact OE1-OG 2.74Å; E492-S698 VanDerWaalsContact OE1-OG 3.04Å |
| 493 | R | 86.8 | Confident | 90.6 | Very high | 20 Ų | 20 | 10.5 Ų | 10.5 | 8% | 0.075 | 5% | 0.053 | C | C | . | . | trans | 53.7 | 39 | 172.2 | -56 | -60.5 | -56.5 | -69.4 | -11.2 | 114 | I490 D498 P771 E772 | I490-R493 WeakPolarHBondContact O-CD 3.31Å; R493-D498 IonicContact CZ-OD1 2.95Å; R493-D498 IonicContact CZ-OD2 2.72Å; R493-D498 IonicContact NE-OD1 3.17Å; R493-D498 PolarHBondContact NE-OD1 2.99Å; R493-D498 IonicContact NE-OD2 3.4Å; R493-D498 IonicContact NH2-OD1 3.16Å; R493-D498 IonicContact NH2-OD2 2.74Å; R493-D498 PolarHBondContact NH2-OD2 3.16Å; R493-P771 HydrophobicContact CB-CB 3.98Å; R493-P771 HydrophobicContact CB-CG 4.15Å; R493-P771 HydrophobicContact CG-CG 4.5Å; R493-P771 WeakPolarHBondContact O-CA 3.31Å; R493-E772 PolarHBondContact O-N 2.93Å | ||
| 494 | D | 85.7 | Confident | 90.5 | Very high | 22 Ų | 22 | 10 Ų | 10 | 12% | 0.118 | 5% | 0.05 | C | C | . | . | trans | -68.7 | 157.1 | 169.4 | 82.8 | 84.3 | 0 | 0 | 0 | 111.1 | E492 N496 T497 D498 | E492-D494 VanDerWaalsContact C-N 3.26Å; E492-D494 PolarHBondContact O-N 3.43Å; D494-N496 VanDerWaalsContact C-N 3.26Å; D494-N496 PolarHBondContact O-N 2.88Å; D494-N496 WeakPolarHBondContact OD1-CA 3.06Å; D494-N496 VanDerWaalsContact OD1-CB 3.29Å; D494-N496 WeakPolarHBondContact OD1-CB 3.39Å; D494-N496 PolarHBondContact OD1-N 3.22Å; D494-T497 PolarHBondContact O-N 3.5Å; D494-T497 PolarHBondContact OD1-N 2.93Å; D494-T497 WeakPolarHBondContact OD2-CB 3.23Å; D494-T497 PolarHBondContact OD2-OG1 3.36Å; D494-D498 PolarHBondContact O-N 3.25Å | ||
| 495 | V | 87.5 | Confident | 90.3 | Very high | 21 Ų | 21 | 11.2 Ų | 11.2 | 13% | 0.127 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.4 | -28.2 | -171.8 | 60 | 0 | 0 | 0 | 0 | 113.1 | F499 E772 I773 L781 | V495-F499 VanDerWaalsContact O-CB 3.31Å; V495-F499 WeakPolarHBondContact O-CB 3.41Å; V495-F499 PolarHBondContact O-N 3.44Å; V495-E772 HydrophobicContact CB-CB 4.2Å; V495-E772 HydrophobicContact CB-CG 4.11Å; V495-E772 HydrophobicContact CG1-CG 4.16Å; V495-I773 HydrophobicContact CB-CB 4.46Å; V495-I773 HydrophobicContact CG2-CB 4.11Å; V495-I773 HydrophobicContact CG2-CG1 4.21Å; V495-L781 HydrophobicContact CG2-CD2 3.84Å |
| 496 | N | 87.2 | Confident | 90 | Very high | 51 Ų | 51 | 13.5 Ų | 13.5 | 27% | 0.273 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -79.4 | -35.6 | 177.3 | -58.2 | -89.8 | 0 | 0 | 0 | 111.1 | V468 D494 M500 | V468-N496 HydrophobicContact CB-CB 3.75Å; V468-N496 VanDerWaalsContact CG1-C 3.49Å; V468-N496 HydrophobicContact CG1-CB 3.72Å; V468-N496 WeakPolarHBondContact CG1-O 3.3Å; D494-N496 VanDerWaalsContact C-N 3.26Å; D494-N496 PolarHBondContact O-N 2.88Å; D494-N496 WeakPolarHBondContact OD1-CA 3.06Å; D494-N496 VanDerWaalsContact OD1-CB 3.29Å; D494-N496 WeakPolarHBondContact OD1-CB 3.39Å; D494-N496 PolarHBondContact OD1-N 3.22Å; N496-M500 WeakPolarHBondContact O-CB 3.26Å; N496-M500 WeakPolarHBondContact O-CG 3.47Å; N496-M500 PolarHBondContact O-N 3.33Å |
| 497 | T | 89.8 | Confident | 89.8 | Confident | 4 Ų | 4 | 13.5 Ų | 13.5 | 3% | 0.025 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.7 | -49.7 | 174.1 | -68.9 | 0 | 0 | 0 | 0 | 111 | V487 I490 D494 F499 M500 L501 | V487-T497 HydrophobicContact CG1-CG2 4.36Å; I490-T497 HydrophobicContact CG2-CG2 4.22Å; D494-T497 PolarHBondContact O-N 3.5Å; D494-T497 PolarHBondContact OD1-N 2.93Å; D494-T497 WeakPolarHBondContact OD2-CB 3.23Å; D494-T497 PolarHBondContact OD2-OG1 3.36Å; T497-F499 VanDerWaalsContact C-N 3.27Å; T497-F499 PolarHBondContact O-N 3.41Å; T497-M500 PolarHBondContact O-N 3.18Å; T497-L501 HydrophobicContact CG2-CD1 4.05Å; T497-L501 HydrophobicContact CG2-CG 4.36Å; T497-L501 VanDerWaalsContact O-CG 3.31Å; T497-L501 WeakPolarHBondContact O-CG 3.12Å; T497-L501 PolarHBondContact O-N 3.31Å |
| 498 | D | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.5 | -91.9 | 39 | 0 | 0 | 0 | 111.8 | R493 D494 L501 I502 I773 | R493-D498 IonicContact CZ-OD1 2.95Å; R493-D498 IonicContact CZ-OD2 2.72Å; R493-D498 IonicContact NE-OD1 3.17Å; R493-D498 PolarHBondContact NE-OD1 2.99Å; R493-D498 IonicContact NE-OD2 3.4Å; R493-D498 IonicContact NH2-OD1 3.16Å; R493-D498 IonicContact NH2-OD2 2.74Å; R493-D498 PolarHBondContact NH2-OD2 3.16Å; D494-D498 PolarHBondContact O-N 3.25Å; D498-L501 PolarHBondContact O-N 3.26Å; D498-I502 WeakPolarHBondContact O-CG1 3.46Å; D498-I502 PolarHBondContact O-N 3.21Å; D498-I773 HydrophobicContact CB-CD1 4.37Å; D498-I773 HydrophobicContact CB-CG2 4.47Å |
| 499 | F | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 171.2 | 167 | -94.2 | 0 | 0 | 0 | 113.1 | A472 V495 T497 L501 I502 L503 L781 L784 I785 L788 L790 F796 | A472-F499 HydrophobicContact CB-CD1 4.49Å; A472-F499 HydrophobicContact CB-CE1 3.87Å; V495-F499 VanDerWaalsContact O-CB 3.31Å; V495-F499 WeakPolarHBondContact O-CB 3.41Å; V495-F499 PolarHBondContact O-N 3.44Å; T497-F499 VanDerWaalsContact C-N 3.27Å; T497-F499 PolarHBondContact O-N 3.41Å; F499-L501 VanDerWaalsContact C-N 3.31Å; F499-L501 PolarHBondContact O-N 3.17Å; F499-I502 WeakPolarHBondContact O-CB 2.88Å; F499-I502 PolarHBondContact O-N 2.93Å; F499-L503 HydrophobicContact CD1-CD1 4.32Å; F499-L503 HydrophobicContact CE1-CD1 3.43Å; F499-L503 VanDerWaalsContact CE1-CD1 3.43Å; F499-L503 HydrophobicContact CE1-CG 4.35Å; F499-L503 HydrophobicContact CE2-CD1 4.46Å; F499-L503 HydrophobicContact CZ-CD1 3.52Å; F499-L503 HydrophobicContact CZ-CG 4.2Å; F499-L503 PolarHBondContact O-N 3.42Å; F499-L781 HydrophobicContact CB-CD1 3.8Å; F499-L781 HydrophobicContact CB-CD2 4.48Å; F499-L781 HydrophobicContact CD1-CD1 4.29Å; F499-L781 HydrophobicContact CD2-CD1 3.5Å; F499-L781 HydrophobicContact CD2-CG 4.05Å; F499-L781 HydrophobicContact CE2-CD1 4.18Å; F499-L781 HydrophobicContact CG-CD1 3.59Å; F499-L784 HydrophobicContact CD1-CD2 4.27Å; F499-L784 HydrophobicContact CE1-CD2 3.74Å; F499-L784 HydrophobicContact CE1-CG 4.13Å; F499-L784 HydrophobicContact CZ-CD2 3.91Å; F499-L784 HydrophobicContact CZ-CG 3.84Å; F499-I785 HydrophobicContact CD2-CG1 4.3Å; F499-I785 HydrophobicContact CE2-CD1 4.45Å; F499-I785 HydrophobicContact CE2-CG1 3.66Å; F499-L788 HydrophobicContact CZ-CD1 4.07Å; F499-L790 HydrophobicContact CE2-CD1 4.16Å; F499-L790 HydrophobicContact CZ-CD1 4.13Å; F499-F796 HydrophobicContact CD2-CD1 4.38Å; F499-F796 AromaticContact CD2-CE1 3.52Å; F499-F796 HydrophobicContact CD2-CE1 3.52Å; F499-F796 HydrophobicContact CD2-CZ 4.21Å; F499-F796 HydrophobicContact CE2-CD1 4.34Å; F499-F796 AromaticContact CE2-CE1 3.54Å; F499-F796 HydrophobicContact CE2-CE1 3.54Å; F499-F796 AromaticContact CE2-CZ 3.95Å; F499-F796 HydrophobicContact CE2-CZ 3.95Å |
| 500 | M | 90.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.5 | -32.2 | 179.9 | -84 | -49.8 | -38.1 | 0 | 0 | 112.8 | V468 M471 A472 M475 N496 T497 I502 L503 L504 | V468-M500 HydrophobicContact CG1-CB 3.97Å; V468-M500 HydrophobicContact CG1-CG 3.36Å; M471-M500 HydrophobicContact CE-CE 4.3Å; M471-M500 HydrophobicContact SD-CE 3.72Å; M471-M500 HydrophobicContact SD-CG 4.31Å; M471-M500 HydrophobicContact SD-SD 4.06Å; A472-M500 HydrophobicContact CB-SD 4.14Å; M475-M500 HydrophobicContact CE-CE 3.16Å; M475-M500 HydrophobicContact CE-SD 4.09Å; M475-M500 HydrophobicContact SD-CE 3.73Å; M475-M500 HydrophobicContact SD-SD 4.29Å; N496-M500 WeakPolarHBondContact O-CB 3.26Å; N496-M500 WeakPolarHBondContact O-CG 3.47Å; N496-M500 PolarHBondContact O-N 3.33Å; T497-M500 PolarHBondContact O-N 3.18Å; M500-I502 VanDerWaalsContact C-N 3.31Å; M500-I502 PolarHBondContact O-N 3.44Å; M500-L503 HydrophobicContact CE-CB 3.83Å; M500-L503 HydrophobicContact CE-CD1 3.96Å; M500-L503 PolarHBondContact O-N 3.11Å; M500-L503 HydrophobicContact SD-CD1 3.78Å; M500-L504 HydrophobicContact CE-CD1 3.9Å; M500-L504 HydrophobicContact CE-CD2 4.29Å; M500-L504 HydrophobicContact CE-CG 3.72Å; M500-L504 WeakPolarHBondContact O-CB 3.1Å; M500-L504 VanDerWaalsContact O-CG 3.3Å; M500-L504 WeakPolarHBondContact O-CG 3.33Å; M500-L504 PolarHBondContact O-N 3.44Å |
| 501 | L | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 175.3 | -67.6 | 168.7 | 0 | 0 | 0 | 111.8 | T497 D498 F499 R505 L518 F528 Y531 F532 | T497-L501 HydrophobicContact CG2-CD1 4.05Å; T497-L501 HydrophobicContact CG2-CG 4.36Å; T497-L501 VanDerWaalsContact O-CG 3.31Å; T497-L501 WeakPolarHBondContact O-CG 3.12Å; T497-L501 PolarHBondContact O-N 3.31Å; D498-L501 PolarHBondContact O-N 3.26Å; F499-L501 VanDerWaalsContact C-N 3.31Å; F499-L501 PolarHBondContact O-N 3.17Å; L501-R505 VanDerWaalsContact O-CB 3.25Å; L501-R505 WeakPolarHBondContact O-CB 3.28Å; L501-R505 PolarHBondContact O-N 2.6Å; L501-L518 HydrophobicContact CD2-CD2 3.83Å; L501-F528 HydrophobicContact CD1-CE1 3.75Å; L501-Y531 HydrophobicContact CB-CE1 4.36Å; L501-F532 HydrophobicContact CB-CZ 4.35Å; L501-F532 HydrophobicContact CD2-CE2 4.02Å; L501-F532 HydrophobicContact CD2-CZ 3.85Å |
| 502 | I | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -53.5 | 171.9 | -54.7 | 161.2 | 0 | 0 | 0 | 110 | D498 F499 M500 L504 R505 E506 Y531 F796 K799 A800 | D498-I502 WeakPolarHBondContact O-CG1 3.46Å; D498-I502 PolarHBondContact O-N 3.21Å; F499-I502 WeakPolarHBondContact O-CB 2.88Å; F499-I502 PolarHBondContact O-N 2.93Å; M500-I502 VanDerWaalsContact C-N 3.31Å; M500-I502 PolarHBondContact O-N 3.44Å; I502-L504 PolarHBondContact O-N 2.85Å; I502-R505 PolarHBondContact O-N 2.91Å; I502-E506 PolarHBondContact O-N 3.38Å; I502-Y531 WeakPolarHBondContact CA-OH 3.32Å; I502-Y531 WeakPolarHBondContact CG1-OH 3.46Å; I502-F796 HydrophobicContact CB-CE1 3.95Å; I502-F796 HydrophobicContact CB-CE2 4.41Å; I502-F796 HydrophobicContact CB-CZ 3.65Å; I502-F796 HydrophobicContact CD1-CD1 4.08Å; I502-F796 HydrophobicContact CD1-CE1 3.56Å; I502-F796 HydrophobicContact CD1-CZ 4.19Å; I502-F796 HydrophobicContact CG1-CE1 4.37Å; I502-F796 HydrophobicContact CG2-CD1 4.46Å; I502-F796 HydrophobicContact CG2-CD2 4.3Å; I502-F796 HydrophobicContact CG2-CE1 3.83Å; I502-F796 HydrophobicContact CG2-CE2 3.64Å; I502-F796 HydrophobicContact CG2-CZ 3.36Å; I502-K799 HydrophobicContact CG2-CB 3.76Å; I502-K799 HydrophobicContact CG2-CD 4.32Å; I502-A800 HydrophobicContact CD1-CB 3.83Å; I502-A800 HydrophobicContact CG1-CB 4.35Å |
| 503 | L | 91.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.4 | -53 | -180 | -89.4 | 178.2 | 0 | 0 | 0 | 111.5 | V307 M475 F499 M500 R505 E506 M507 L788 L790 F796 | V307-L503 HydrophobicContact CG2-CD2 3.68Å; M475-L503 HydrophobicContact SD-CD1 3.83Å; F499-L503 HydrophobicContact CD1-CD1 4.32Å; F499-L503 HydrophobicContact CE1-CD1 3.43Å; F499-L503 VanDerWaalsContact CE1-CD1 3.43Å; F499-L503 HydrophobicContact CE1-CG 4.35Å; F499-L503 HydrophobicContact CE2-CD1 4.46Å; F499-L503 HydrophobicContact CZ-CD1 3.52Å; F499-L503 HydrophobicContact CZ-CG 4.2Å; F499-L503 PolarHBondContact O-N 3.42Å; M500-L503 HydrophobicContact CE-CB 3.83Å; M500-L503 HydrophobicContact CE-CD1 3.96Å; M500-L503 PolarHBondContact O-N 3.11Å; M500-L503 HydrophobicContact SD-CD1 3.78Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.91Å; L503-E506 PolarHBondContact O-N 3.42Å; L503-M507 VanDerWaalsContact O-CG 3.29Å; L503-M507 WeakPolarHBondContact O-CG 3.25Å; L503-M507 PolarHBondContact O-N 2.91Å; L503-L788 HydrophobicContact CD1-CD1 4.03Å; L503-L790 HydrophobicContact CD1-CD1 4.4Å; L503-L790 HydrophobicContact CD2-CD1 3.58Å; L503-L790 HydrophobicContact CD2-CD2 3.63Å; L503-L790 HydrophobicContact CD2-CG 4.27Å; L503-L790 HydrophobicContact CG-CD1 4.14Å; L503-F796 HydrophobicContact CD2-CE2 4.37Å; L503-F796 HydrophobicContact CD2-CZ 4.35Å; L503-F796 HydrophobicContact CG-CZ 4.05Å |
| 504 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -35.3 | -175.1 | -69.9 | 165.8 | 0 | 0 | 0 | 112 | M471 M475 V485 V487 M500 I502 M507 V508 L516 | M471-L504 HydrophobicContact CE-CD2 4.37Å; M475-L504 HydrophobicContact CE-CD2 4.36Å; V485-L504 HydrophobicContact CB-CD2 4.2Å; V485-L504 HydrophobicContact CG1-CD1 3.81Å; V485-L504 HydrophobicContact CG1-CD2 3.84Å; V485-L504 HydrophobicContact CG2-CD2 4.12Å; V487-L504 HydrophobicContact CG2-CD1 3.54Å; M500-L504 HydrophobicContact CE-CD1 3.9Å; M500-L504 HydrophobicContact CE-CD2 4.29Å; M500-L504 HydrophobicContact CE-CG 3.72Å; M500-L504 WeakPolarHBondContact O-CB 3.1Å; M500-L504 VanDerWaalsContact O-CG 3.3Å; M500-L504 WeakPolarHBondContact O-CG 3.33Å; M500-L504 PolarHBondContact O-N 3.44Å; I502-L504 PolarHBondContact O-N 2.85Å; L504-M507 HydrophobicContact CD2-SD 4.4Å; L504-M507 PolarHBondContact O-N 3.33Å; L504-V508 WeakPolarHBondContact O-CG2 3.32Å; L504-V508 PolarHBondContact O-N 3.32Å; L504-L516 HydrophobicContact CB-CD1 4.27Å; L504-L516 HydrophobicContact CB-CD2 4.08Å; L504-L516 HydrophobicContact CD1-CD1 3.97Å; L504-L516 HydrophobicContact CG-CD1 4.5Å |
| 505 | R | 93.7 | Very high | 91.1 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.6 | -171.4 | -172.6 | 70.5 | -170.7 | -2.1 | 112.1 | L501 I502 L503 M507 R509 Y531 F532 | L501-R505 VanDerWaalsContact O-CB 3.25Å; L501-R505 WeakPolarHBondContact O-CB 3.28Å; L501-R505 PolarHBondContact O-N 2.6Å; I502-R505 PolarHBondContact O-N 2.91Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.91Å; R505-M507 VanDerWaalsContact C-N 3.32Å; R505-R509 WeakPolarHBondContact O-CD 3.29Å; R505-R509 VanDerWaalsContact O-CG 3.25Å; R505-R509 WeakPolarHBondContact O-CG 3.42Å; R505-R509 PolarHBondContact O-N 3.48Å; R505-Y531 HydrophobicContact CB-CE1 4.27Å; R505-Y531 WeakPolarHBondContact CD-O 3.4Å; R505-Y531 HydrophobicContact CG-CE1 4.49Å; R505-Y531 PolarHBondContact NH1-OH 3.33Å; R505-F532 HydrophobicContact CB-CD1 4Å; R505-F532 HydrophobicContact CB-CE1 3.58Å; R505-F532 HydrophobicContact CB-CZ 4.26Å; R505-F532 HydrophobicContact CG-CD1 3.87Å; R505-F532 HydrophobicContact CG-CE1 4Å |
| 506 | E | 90.9 | Very high | 91.5 | Very high | 49 Ų | 49 | 32.4 Ų | 32.4 | 23% | 0.229 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.1 | -34.9 | 176.9 | -53.8 | -44.6 | 137.6 | 0 | 0 | 111.3 | L306 I502 L503 R509 A510 | L306-E506 HydrophobicContact CD1-CB 3.88Å; I502-E506 PolarHBondContact O-N 3.38Å; L503-E506 PolarHBondContact O-N 3.42Å; E506-R509 PolarHBondContact O-N 3.32Å; E506-R509 IonicContact OE1-NH1 3.15Å; E506-R509 PolarHBondContact OE1-NH1 2.7Å; E506-R509 IonicContact OE2-NH1 2.77Å; E506-R509 PolarHBondContact OE2-NH1 3.45Å; E506-A510 PolarHBondContact O-N 3.33Å |
| 507 | M | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.3 | -72.1 | -177.2 | 79.2 | 0 | 0 | 113.5 | L306 V307 W309 M475 L479 L503 L504 R505 R509 A510 N511 L514 | L306-M507 HydrophobicContact CD1-CG 4.28Å; L306-M507 HydrophobicContact CG-CG 4.44Å; V307-M507 HydrophobicContact CB-CE 3.98Å; V307-M507 HydrophobicContact CB-CG 4.29Å; V307-M507 HydrophobicContact CB-SD 3.75Å; V307-M507 HydrophobicContact CG1-CE 3.7Å; V307-M507 HydrophobicContact CG1-SD 3.87Å; W309-M507 HydrophobicContact CB-CE 4.06Å; M475-M507 HydrophobicContact CE-SD 4.44Å; M475-M507 HydrophobicContact SD-SD 4.2Å; L479-M507 HydrophobicContact CB-CE 4.05Å; L479-M507 HydrophobicContact CD1-CE 3.76Å; L479-M507 HydrophobicContact CD1-SD 4.18Å; L479-M507 HydrophobicContact CG-CE 4.06Å; L503-M507 VanDerWaalsContact O-CG 3.29Å; L503-M507 WeakPolarHBondContact O-CG 3.25Å; L503-M507 PolarHBondContact O-N 2.91Å; L504-M507 HydrophobicContact CD2-SD 4.4Å; L504-M507 PolarHBondContact O-N 3.33Å; R505-M507 VanDerWaalsContact C-N 3.32Å; M507-R509 VanDerWaalsContact C-N 3.33Å; M507-A510 PolarHBondContact O-N 3.4Å; M507-N511 VanDerWaalsContact O-CB 3.29Å; M507-N511 WeakPolarHBondContact O-CB 3.46Å; M507-N511 PolarHBondContact O-N 2.89Å; M507-N511 PolarHBondContact O-ND2 3.26Å; M507-L514 HydrophobicContact CB-CD2 4.02Å; M507-L514 HydrophobicContact CE-CD2 4.47Å |
| 508 | V | 92.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.4 | -26.3 | 177.8 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | K382 V383 L504 L514 L516 | K382-V508 VanDerWaalsContact CD-O 3.31Å; K382-V508 WeakPolarHBondContact CD-O 3.43Å; K382-V508 PolarHBondContact NZ-O 3.26Å; V383-V508 HydrophobicContact CG2-CG2 3.77Å; L504-V508 WeakPolarHBondContact O-CG2 3.32Å; L504-V508 PolarHBondContact O-N 3.32Å; V508-L514 HydrophobicContact CG1-CB 4.49Å; V508-L514 HydrophobicContact CG1-CD2 3.9Å; V508-L514 HydrophobicContact CG1-CG 3.99Å; V508-L516 HydrophobicContact CG1-CB 3.81Å; V508-L516 HydrophobicContact CG1-CD2 4.44Å |
| 509 | R | 90 | Very high | 92.3 | Very high | 129 Ų | 129 | 29.8 Ų | 29.8 | 49% | 0.487 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.2 | -52.6 | 171.5 | -78.2 | 169.4 | 175.8 | 177.2 | -3.2 | 110.5 | K382 R505 E506 M507 | K382-R509 PolarHBondContact NZ-O 2.83Å; K382-R509 VanDerWaalsContact NZ-O 3.13Å; R505-R509 WeakPolarHBondContact O-CD 3.29Å; R505-R509 VanDerWaalsContact O-CG 3.25Å; R505-R509 WeakPolarHBondContact O-CG 3.42Å; R505-R509 PolarHBondContact O-N 3.48Å; E506-R509 PolarHBondContact O-N 3.32Å; E506-R509 IonicContact OE1-NH1 3.15Å; E506-R509 PolarHBondContact OE1-NH1 2.7Å; E506-R509 IonicContact OE2-NH1 2.77Å; E506-R509 PolarHBondContact OE2-NH1 3.45Å; M507-R509 VanDerWaalsContact C-N 3.33Å |
| 510 | A | 88 | Confident | 92 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 48% | 0.479 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -69.3 | -48.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L306 E506 M507 R512 | L306-A510 HydrophobicContact CD2-CB 3.46Å; L306-A510 VanDerWaalsContact CD2-CB 3.46Å; E506-A510 PolarHBondContact O-N 3.33Å; M507-A510 PolarHBondContact O-N 3.4Å; A510-R512 PolarHBondContact O-N 3.27Å |
| 511 | N | 89.6 | Confident | 91.4 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | trans | -93.5 | 107.1 | -169.4 | -61.1 | -75 | 0 | 0 | 0 | 111.4 | W309 M507 N513 L514 | W309-N511 HydrophobicContact CD2-CB 4.04Å; W309-N511 HydrophobicContact CE3-CB 3.64Å; W309-N511 VanDerWaalsContact CE3-OD1 3.29Å; W309-N511 HydrophobicContact CZ3-CB 4.17Å; M507-N511 VanDerWaalsContact O-CB 3.29Å; M507-N511 WeakPolarHBondContact O-CB 3.46Å; M507-N511 PolarHBondContact O-N 2.89Å; M507-N511 PolarHBondContact O-ND2 3.26Å; N511-N513 VanDerWaalsContact C-N 3.29Å; N511-N513 PolarHBondContact O-N 3.13Å; N511-L514 HydrophobicContact CB-CB 4.04Å | ||
| 512 | R | 85.7 | Confident | 90.2 | Very high | 186 Ų | 186 | 31.4 Ų | 31.4 | 70% | 0.702 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.2 | -174.9 | -60.7 | -174.2 | -175.3 | -155.9 | 2.4 | 114.7 | A510 R515 | A510-R512 PolarHBondContact O-N 3.27Å; R512-R515 PolarHBondContact O-NH1 2.94Å |
| 513 | N | 91 | Very high | 88.9 | Confident | 99 Ų | 99 | 32.1 Ų | 32.1 | 53% | 0.529 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -10.3 | -170.4 | -67.6 | 8.2 | 0 | 0 | 0 | 113.6 | W309 N511 | W309-N513 HydrophobicContact CH2-CB 3.68Å; W309-N513 HydrophobicContact CZ3-CB 4.24Å; N511-N513 VanDerWaalsContact C-N 3.29Å; N511-N513 PolarHBondContact O-N 3.13Å |
| 514 | L | 94.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -65.3 | 143.5 | 169.2 | 176.5 | 59.4 | 0 | 0 | 0 | 109.4 | W309 V485 M507 V508 N511 | W309-L514 HydrophobicContact CD2-CB 4.33Å; W309-L514 HydrophobicContact CZ2-CB 4.06Å; V485-L514 HydrophobicContact CG2-CD1 4.26Å; M507-L514 HydrophobicContact CB-CD2 4.02Å; M507-L514 HydrophobicContact CE-CD2 4.47Å; V508-L514 HydrophobicContact CG1-CB 4.49Å; V508-L514 HydrophobicContact CG1-CD2 3.9Å; V508-L514 HydrophobicContact CG1-CG 3.99Å; N511-L514 HydrophobicContact CB-CB 4.04Å | ||
| 515 | R | 96.5 | Very high | 87.2 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.2 | 174 | -66.1 | -59.8 | -175.7 | -101.8 | 6.9 | 111.1 | V378 R379 N381 S483 H484 V485 R512 | V378-R515 HydrophobicContact CG1-CB 4.42Å; V378-R515 WeakPolarHBondContact O-CD 3.4Å; V378-R515 PolarHBondContact O-NE 3.45Å; V378-R515 VanDerWaalsContact O-NE 3.07Å; R379-R515 PolarHBondContact O-NE 3.31Å; R379-R515 PolarHBondContact O-NH2 3.36Å; N381-R515 WeakPolarHBondContact O-CD 3.28Å; N381-R515 PolarHBondContact O-NE 2.75Å; S483-R515 PolarHBondContact O-N 3.34Å; H484-R515 WeakPolarHBondContact CA-O 3.38Å; H484-R515 VanDerWaalsContact CD2-CB 3.47Å; H484-R515 WeakPolarHBondContact CD2-CB 3.38Å; V485-R515 PolarHBondContact N-O 3.15Å; R512-R515 PolarHBondContact O-NH1 2.94Å |
| 516 | L | 96.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123 | 176.7 | 178.4 | 62.2 | 0 | 0 | 0 | 109.6 | K382 V383 T384 V485 V487 L504 V508 L518 F532 | K382-L516 PolarHBondContact O-N 3.09Å; V383-L516 WeakPolarHBondContact CA-O 3.48Å; V383-L516 HydrophobicContact CG1-CD2 4.27Å; V383-L516 HydrophobicContact CG1-CG 4.49Å; V383-L516 HydrophobicContact CG2-CB 4.35Å; V383-L516 HydrophobicContact CG2-CD2 4.21Å; T384-L516 PolarHBondContact N-O 2.69Å; V485-L516 HydrophobicContact CB-CD1 4.28Å; V485-L516 HydrophobicContact CG1-CD1 4.09Å; V485-L516 CarbonylContact O-C 3.53Å; V485-L516 WeakPolarHBondContact O-CA 3.48Å; V487-L516 HydrophobicContact CG2-CD1 3.91Å; L504-L516 HydrophobicContact CB-CD1 4.27Å; L504-L516 HydrophobicContact CB-CD2 4.08Å; L504-L516 HydrophobicContact CD1-CD1 3.97Å; L504-L516 HydrophobicContact CG-CD1 4.5Å; V508-L516 HydrophobicContact CG1-CB 3.81Å; V508-L516 HydrophobicContact CG1-CD2 4.44Å; L516-L518 HydrophobicContact CD1-CD2 3.85Å; L516-L518 HydrophobicContact CD2-CD2 4.14Å; L516-L518 HydrophobicContact CD2-CG 4.44Å; L516-L518 HydrophobicContact CG-CD2 3.91Å; L516-L518 HydrophobicContact CG-CG 4.19Å; L516-F532 HydrophobicContact CD2-CD1 4.11Å; L516-F532 HydrophobicContact CD2-CE1 3.41Å; L516-F532 VanDerWaalsContact CD2-CE1 3.41Å; L516-F532 HydrophobicContact CD2-CZ 3.9Å |
| 517 | V | 97 | Very high | 86.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128 | 172.2 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | V378 T384 I386 I402 V485 I486 V487 M519 | V378-V517 HydrophobicContact CG1-CG2 4.04Å; V378-V517 HydrophobicContact CG2-CG2 3.81Å; T384-V517 WeakPolarHBondContact O-CA 3.31Å; I386-V517 HydrophobicContact CD1-CG1 3.58Å; I386-V517 HydrophobicContact CG1-CG1 4.02Å; I402-V517 HydrophobicContact CD1-CG2 4.43Å; V485-V517 PolarHBondContact O-N 3.09Å; I486-V517 CarbonylContact C-O 3.47Å; I486-V517 WeakPolarHBondContact CA-O 3.27Å; I486-V517 HydrophobicContact CB-CB 4.43Å; I486-V517 HydrophobicContact CG1-CB 4.08Å; I486-V517 HydrophobicContact CG1-CG2 4.26Å; I486-V517 HydrophobicContact CG2-CB 4.23Å; V487-V517 PolarHBondContact N-O 2.85Å; V517-M519 HydrophobicContact CG1-CG 3.92Å; V517-M519 HydrophobicContact CG1-SD 4.5Å |
| 518 | L | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.5 | 178.1 | -59.3 | -179.1 | 0 | 0 | 0 | 108.2 | V383 T384 I385 I386 V487 I490 L501 L516 F532 | V383-L518 HydrophobicContact CG1-CD1 4.15Å; T384-L518 PolarHBondContact O-N 2.92Å; I385-L518 CarbonylContact C-O 3.57Å; I385-L518 WeakPolarHBondContact CA-O 3.25Å; I385-L518 HydrophobicContact CG1-CB 4.34Å; I385-L518 HydrophobicContact CG1-CD1 4.26Å; I386-L518 PolarHBondContact N-O 2.7Å; V487-L518 HydrophobicContact CB-CD2 3.79Å; V487-L518 HydrophobicContact CG2-CD2 3.88Å; I490-L518 HydrophobicContact CD1-CB 3.94Å; L501-L518 HydrophobicContact CD2-CD2 3.83Å; L516-L518 HydrophobicContact CD1-CD2 3.85Å; L516-L518 HydrophobicContact CD2-CD2 4.14Å; L516-L518 HydrophobicContact CD2-CG 4.44Å; L516-L518 HydrophobicContact CG-CD2 3.91Å; L516-L518 HydrophobicContact CG-CG 4.19Å; L518-F532 HydrophobicContact CD1-CD2 3.74Å; L518-F532 HydrophobicContact CD1-CE2 3.44Å; L518-F532 VanDerWaalsContact CD1-CE2 3.44Å; L518-F532 HydrophobicContact CD1-CG 4.48Å; L518-F532 HydrophobicContact CD1-CZ 3.94Å |
| 519 | M | 92.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135 | -173.1 | -56.6 | -167.9 | -48.7 | 0 | 0 | 111.6 | I386 K394 I398 I486 V487 D488 E489 I490 V517 | I386-M519 WeakPolarHBondContact O-CA 3.4Å; K394-M519 HydrophobicContact CB-SD 4.37Å; I398-M519 HydrophobicContact CB-SD 4.02Å; I398-M519 HydrophobicContact CD1-SD 3.68Å; I398-M519 HydrophobicContact CG1-SD 4.42Å; I398-M519 HydrophobicContact CG2-SD 4.12Å; I486-M519 HydrophobicContact CG2-CE 3.5Å; I486-M519 VanDerWaalsContact CG2-CE 3.5Å; I486-M519 HydrophobicContact CG2-CG 4Å; I486-M519 HydrophobicContact CG2-SD 3.73Å; V487-M519 PolarHBondContact O-N 3.23Å; D488-M519 HydrophobicContact CB-CE 3.76Å; D488-M519 VanDerWaalsContact CG-CE 3.44Å; D488-M519 WeakPolarHBondContact OD1-CB 3.5Å; D488-M519 WeakPolarHBondContact OD1-CE 3.49Å; E489-M519 PolarHBondContact N-O 2.9Å; E489-M519 VanDerWaalsContact N-O 3.11Å; I490-M519 WeakPolarHBondContact CG1-O 3.43Å; I490-M519 PolarHBondContact N-O 2.74Å; V517-M519 HydrophobicContact CG1-CG 3.92Å; V517-M519 HydrophobicContact CG1-SD 4.5Å |
| 520 | S | 85 | Confident | 86.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163 | 178.4 | -158.4 | 0 | 0 | 0 | 0 | 113 | I386 R387 G388 K394 H491 | I386-S520 PolarHBondContact O-N 2.9Å; I386-S520 VanDerWaalsContact O-N 3.1Å; R387-S520 WeakPolarHBondContact CA-O 3.48Å; G388-S520 PolarHBondContact N-O 2.81Å; K394-S520 WeakPolarHBondContact CE-O 3.39Å; K394-S520 PolarHBondContact NZ-O 3.22Å; H491-S520 PolarHBondContact ND1-OG 3.2Å |
| 521 | A | 78 | Confident | 86.5 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -100.2 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G388 T390 | G388-A521 VanDerWaalsContact O-CA 3.32Å; G388-A521 WeakPolarHBondContact O-CA 3.43Å; T390-A521 HydrophobicContact CG2-CB 3.84Å |
| 522 | T | 67.1 | Low | 86.6 | Confident | 24 Ų | 24 | 40.5 Ų | 40.5 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -140.2 | 41.5 | -152.3 | 39.2 | 0 | 0 | 0 | 0 | 111.3 | T736 E739 H768 | T522-T736 WeakPolarHBondContact OG1-CG2 3.34Å; T522-E739 HydrophobicContact CG2-CB 4.2Å; T522-E739 WeakPolarHBondContact CG2-OE2 3.45Å; T522-H768 PolarHBondContact O-CE1 2.93Å; T522-H768 VanDerWaalsContact O-CE1 3.32Å |
| 523 | I | 66.5 | Low | 86.7 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | trans | -107.1 | 144.9 | -171.2 | -145.4 | 162.6 | 0 | 0 | 0 | 112.4 | I490 H491 I525 F528 | I490-I523 HydrophobicContact CB-CD1 4.48Å; I490-I523 HydrophobicContact CD1-CD1 3.66Å; I490-I523 HydrophobicContact CG1-CD1 3.77Å; H491-I523 HydrophobicContact CB-CB 4.25Å; H491-I523 HydrophobicContact CB-CD1 3.91Å; H491-I523 HydrophobicContact CB-CG1 3.96Å; I523-I525 HydrophobicContact CG2-CG1 4.18Å; I523-I525 PolarHBondContact O-N 3.46Å; I523-F528 HydrophobicContact CD1-CD2 3.66Å; I523-F528 HydrophobicContact CD1-CE1 4.2Å; I523-F528 HydrophobicContact CD1-CE2 3.24Å; I523-F528 HydrophobicContact CD1-CG 4.31Å; I523-F528 HydrophobicContact CD1-CZ 3.54Å; I523-F528 HydrophobicContact CG1-CD2 4.04Å; I523-F528 HydrophobicContact CG1-CE2 3.75Å; I523-F528 HydrophobicContact CG1-CZ 4.48Å | ||
| 524 | D | 69.8 | Low | 86.3 | Confident | 73 Ų | 73 | 36.2 Ų | 36.2 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | trans | -68.8 | 111.3 | 156.3 | -175.8 | -5.9 | 0 | 0 | 0 | 108.4 | T526 | D524-T526 VanDerWaalsContact C-N 3.31Å; D524-T526 VanDerWaalsContact CG-OG1 3.24Å; D524-T526 WeakPolarHBondContact OD1-CB 3.26Å; D524-T526 PolarHBondContact OD1-N 3.18Å; D524-T526 PolarHBondContact OD1-OG1 3.04Å; D524-T526 PolarHBondContact OD2-OG1 3.45Å | ||
| 525 | I | 78.5 | Confident | 86.1 | Confident | 28 Ų | 28 | 37.3 Ų | 37.3 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.7 | -29 | -176 | -48.4 | 173 | 0 | 0 | 0 | 110.6 | I385 R387 I523 M527 F528 S529 V537 | I385-I525 HydrophobicContact CD1-CG2 4.2Å; I385-I525 HydrophobicContact CG2-CG2 4.29Å; R387-I525 HydrophobicContact CB-CD1 4.48Å; R387-I525 VanDerWaalsContact CD-CD1 3.5Å; I523-I525 HydrophobicContact CG2-CG1 4.18Å; I523-I525 PolarHBondContact O-N 3.46Å; I525-M527 PolarHBondContact O-N 2.97Å; I525-F528 PolarHBondContact O-N 3.15Å; I525-F528 VanDerWaalsContact O-N 3.1Å; I525-S529 PolarHBondContact O-N 2.83Å; I525-S529 PolarHBondContact O-OG 3.24Å; I525-V537 HydrophobicContact CD1-CG1 3.77Å; I525-V537 HydrophobicContact CG2-CB 4.48Å; I525-V537 HydrophobicContact CG2-CG1 3.94Å; I525-V537 HydrophobicContact CG2-CG2 3.62Å |
| 526 | T | 84.5 | Confident | 86 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 44% | 0.436 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.2 | -55.8 | -171.8 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | D524 F528 S529 E530 | D524-T526 VanDerWaalsContact C-N 3.31Å; D524-T526 VanDerWaalsContact CG-OG1 3.24Å; D524-T526 WeakPolarHBondContact OD1-CB 3.26Å; D524-T526 PolarHBondContact OD1-N 3.18Å; D524-T526 PolarHBondContact OD1-OG1 3.04Å; D524-T526 PolarHBondContact OD2-OG1 3.45Å; T526-F528 PolarHBondContact O-N 2.7Å; T526-F528 VanDerWaalsContact O-N 3.12Å; T526-S529 WeakPolarHBondContact CA-OG 3.09Å; T526-S529 PolarHBondContact O-N 2.71Å; T526-S529 PolarHBondContact O-OG 3.3Å; T526-E530 WeakPolarHBondContact O-CG 3.35Å; T526-E530 PolarHBondContact O-N 3Å |
| 527 | M | 86.3 | Confident | 85.8 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -51 | -38.4 | 177.5 | -166.1 | -167.9 | -64.3 | 0 | 0 | 113.5 | I525 Y531 L801 | I525-M527 PolarHBondContact O-N 2.97Å; M527-Y531 VanDerWaalsContact O-CB 3.26Å; M527-Y531 WeakPolarHBondContact O-CB 3.5Å; M527-Y531 PolarHBondContact O-N 3.47Å; M527-L801 HydrophobicContact CG-CD1 3.9Å; M527-L801 HydrophobicContact CG-CG 4.22Å; M527-L801 HydrophobicContact SD-CD1 4.34Å; M527-L801 HydrophobicContact SD-CD2 4.06Å; M527-L801 HydrophobicContact SD-CG 3.99Å |
| 528 | F | 89.2 | Confident | 85.6 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.9 | -39.3 | 179.5 | -76.7 | -98.7 | 0 | 0 | 0 | 112.4 | I385 I490 L501 I523 I525 T526 Y531 F532 L801 | I385-F528 HydrophobicContact CD1-CB 3.99Å; I490-F528 HydrophobicContact CB-CE1 4.25Å; I490-F528 HydrophobicContact CD1-CD1 3.6Å; I490-F528 HydrophobicContact CD1-CE1 3.55Å; I490-F528 HydrophobicContact CD1-CG 4.22Å; I490-F528 HydrophobicContact CD1-CZ 4.18Å; I490-F528 HydrophobicContact CG1-CE1 4.4Å; L501-F528 HydrophobicContact CD1-CE1 3.75Å; I523-F528 HydrophobicContact CD1-CD2 3.66Å; I523-F528 HydrophobicContact CD1-CE1 4.2Å; I523-F528 HydrophobicContact CD1-CE2 3.24Å; I523-F528 HydrophobicContact CD1-CG 4.31Å; I523-F528 HydrophobicContact CD1-CZ 3.54Å; I523-F528 HydrophobicContact CG1-CD2 4.04Å; I523-F528 HydrophobicContact CG1-CE2 3.75Å; I523-F528 HydrophobicContact CG1-CZ 4.48Å; I525-F528 PolarHBondContact O-N 3.15Å; I525-F528 VanDerWaalsContact O-N 3.1Å; T526-F528 PolarHBondContact O-N 2.7Å; T526-F528 VanDerWaalsContact O-N 3.12Å; F528-Y531 PolarHBondContact O-N 2.96Å; F528-F532 WeakPolarHBondContact O-CD2 3.49Å; F528-F532 PolarHBondContact O-N 3.48Å; F528-F532 VanDerWaalsContact O-N 3.15Å; F528-L801 HydrophobicContact CD1-CD2 4.19Å; F528-L801 HydrophobicContact CD2-CD2 4.25Å; F528-L801 HydrophobicContact CE1-CD2 3.62Å; F528-L801 HydrophobicContact CE2-CD2 3.66Å; F528-L801 HydrophobicContact CG-CD2 4.49Å; F528-L801 HydrophobicContact CZ-CD2 3.33Å |
| 529 | S | 89.4 | Confident | 85.3 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.9 | 61.7 | 0 | 0 | 0 | 0 | 112 | I525 T526 Y531 G533 | I525-S529 PolarHBondContact O-N 2.83Å; I525-S529 PolarHBondContact O-OG 3.24Å; T526-S529 WeakPolarHBondContact CA-OG 3.09Å; T526-S529 PolarHBondContact O-N 2.71Å; T526-S529 PolarHBondContact O-OG 3.3Å; S529-Y531 VanDerWaalsContact C-N 3.33Å; S529-Y531 PolarHBondContact O-N 3.27Å; S529-G533 VanDerWaalsContact O-CA 3.28Å; S529-G533 WeakPolarHBondContact O-CA 3.43Å; S529-G533 PolarHBondContact O-N 2.89Å |
| 530 | E | 90.6 | Very high | 85 | Confident | 156 Ų | 156 | 45.1 Ų | 45.1 | 73% | 0.729 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 174.5 | -70.5 | 177.1 | -176.4 | 0 | 0 | 112.1 | T526 | T526-E530 WeakPolarHBondContact O-CG 3.35Å; T526-E530 PolarHBondContact O-N 3Å |
| 531 | Y | 92.3 | Very high | 84.5 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -39.5 | -177.4 | -176.8 | -97.7 | 0 | 0 | 0 | 113.9 | L501 I502 R505 M527 F528 S529 K799 L801 | L501-Y531 HydrophobicContact CB-CE1 4.36Å; I502-Y531 WeakPolarHBondContact CA-OH 3.32Å; I502-Y531 WeakPolarHBondContact CG1-OH 3.46Å; R505-Y531 HydrophobicContact CB-CE1 4.27Å; R505-Y531 WeakPolarHBondContact CD-O 3.4Å; R505-Y531 HydrophobicContact CG-CE1 4.49Å; R505-Y531 PolarHBondContact NH1-OH 3.33Å; M527-Y531 VanDerWaalsContact O-CB 3.26Å; M527-Y531 WeakPolarHBondContact O-CB 3.5Å; M527-Y531 PolarHBondContact O-N 3.47Å; F528-Y531 PolarHBondContact O-N 2.96Å; S529-Y531 VanDerWaalsContact C-N 3.33Å; S529-Y531 PolarHBondContact O-N 3.27Å; Y531-K799 VanDerWaalsContact CE2-O 3.22Å; Y531-K799 WeakPolarHBondContact CE2-O 3.33Å; Y531-K799 PolarHBondContact OH-O 3.19Å; Y531-L801 VanDerWaalsContact CB-CD1 3.46Å; Y531-L801 HydrophobicContact CD1-CD1 4.21Å; Y531-L801 HydrophobicContact CD2-CB 4.31Å; Y531-L801 HydrophobicContact CD2-CD1 3.48Å; Y531-L801 VanDerWaalsContact CD2-CD1 3.48Å; Y531-L801 HydrophobicContact CE2-CB 4.24Å; Y531-L801 HydrophobicContact CE2-CD1 4.24Å; Y531-L801 HydrophobicContact CG-CD1 3.46Å; Y531-L801 VanDerWaalsContact CG-CD1 3.46Å |
| 532 | F | 92.3 | Very high | 83.8 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85.4 | -30.6 | 175.1 | -77.6 | -85.6 | 0 | 0 | 0 | 112.4 | V383 L501 R505 L516 L518 F528 | V383-F532 HydrophobicContact CG1-CB 4.31Å; V383-F532 HydrophobicContact CG1-CD1 4.2Å; V383-F532 HydrophobicContact CG1-CG 4.16Å; V383-F532 HydrophobicContact CG2-CD1 4.05Å; L501-F532 HydrophobicContact CB-CZ 4.35Å; L501-F532 HydrophobicContact CD2-CE2 4.02Å; L501-F532 HydrophobicContact CD2-CZ 3.85Å; R505-F532 HydrophobicContact CB-CD1 4Å; R505-F532 HydrophobicContact CB-CE1 3.58Å; R505-F532 HydrophobicContact CB-CZ 4.26Å; R505-F532 HydrophobicContact CG-CD1 3.87Å; R505-F532 HydrophobicContact CG-CE1 4Å; L516-F532 HydrophobicContact CD2-CD1 4.11Å; L516-F532 HydrophobicContact CD2-CE1 3.41Å; L516-F532 VanDerWaalsContact CD2-CE1 3.41Å; L516-F532 HydrophobicContact CD2-CZ 3.9Å; L518-F532 HydrophobicContact CD1-CD2 3.74Å; L518-F532 HydrophobicContact CD1-CE2 3.44Å; L518-F532 VanDerWaalsContact CD1-CE2 3.44Å; L518-F532 HydrophobicContact CD1-CG 4.48Å; L518-F532 HydrophobicContact CD1-CZ 3.94Å; F528-F532 WeakPolarHBondContact O-CD2 3.49Å; F528-F532 PolarHBondContact O-N 3.48Å; F528-F532 VanDerWaalsContact O-N 3.15Å |
| 533 | G | 88 | Confident | 83.1 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | trans | 83.1 | -112.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S529 C535 | S529-G533 VanDerWaalsContact O-CA 3.28Å; S529-G533 WeakPolarHBondContact O-CA 3.43Å; S529-G533 PolarHBondContact O-N 2.89Å; G533-C535 PolarHBondContact O-N 2.9Å; G533-C535 PolarHBondContact O-SG 3.14Å | ||
| 534 | D | 82 | Confident | 82.9 | Confident | 153 Ų | 153 | 61 Ų | 61 | 82% | 0.818 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -68.6 | 93 | -175.9 | -169.5 | 26.1 | 0 | 0 | 0 | 111.6 | ||
| 535 | C | 91.1 | Very high | 83.4 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | trans | -146.7 | 146.9 | -177.4 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | V383 G533 | V383-C535 HydrophobicContact CB-CB 3.71Å; V383-C535 HydrophobicContact CG1-CB 3.8Å; V383-C535 WeakPolarHBondContact O-CA 3.43Å; G533-C535 PolarHBondContact O-N 2.9Å; G533-C535 PolarHBondContact O-SG 3.14Å | ||
| 536 | T | 93.7 | Very high | 83.8 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 135.1 | 174.5 | -77.1 | 0 | 0 | 0 | 0 | 110.3 | A377 N381 V383 T384 I385 L538 | A377-T536 HydrophobicContact CB-CG2 4.09Å; N381-T536 WeakPolarHBondContact ND2-CB 3.37Å; N381-T536 PolarHBondContact ND2-OG1 3.43Å; N381-T536 PolarHBondContact OD1-OG1 3.11Å; V383-T536 PolarHBondContact O-N 3Å; V383-T536 VanDerWaalsContact O-N 3.16Å; T384-T536 CarbonylContact C-O 3.52Å; T384-T536 WeakPolarHBondContact CA-O 3.49Å; I385-T536 PolarHBondContact N-O 3.29Å; T536-L538 HydrophobicContact CG2-CG 4.37Å |
| 537 | V | 92.4 | Very high | 84.1 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.3 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | I385 I525 | I385-V537 HydrophobicContact CB-CG2 4.41Å; I385-V537 HydrophobicContact CD1-CG2 4.5Å; I385-V537 CarbonylContact O-C 3.6Å; I385-V537 WeakPolarHBondContact O-CA 3.43Å; I525-V537 HydrophobicContact CD1-CG1 3.77Å; I525-V537 HydrophobicContact CG2-CB 4.48Å; I525-V537 HydrophobicContact CG2-CG1 3.94Å; I525-V537 HydrophobicContact CG2-CG2 3.62Å |
| 538 | L | 92.1 | Very high | 84.5 | Confident | 35 Ų | 35 | 65 Ų | 65 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.3 | 167 | -70.8 | 179.4 | 0 | 0 | 0 | 109.6 | I374 A377 T384 I385 R387 T536 | I374-L538 HydrophobicContact CB-CD1 4.42Å; I374-L538 HydrophobicContact CG1-CD1 3.96Å; A377-L538 HydrophobicContact CB-CD1 3.63Å; A377-L538 HydrophobicContact CB-CG 4.19Å; T384-L538 HydrophobicContact CG2-CD1 4.36Å; I385-L538 PolarHBondContact O-N 3.26Å; R387-L538 PolarHBondContact N-O 2.65Å; T536-L538 HydrophobicContact CG2-CG 4.37Å |
| 539 | D | 89.2 | Confident | 84.8 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 121.4 | 164.4 | -79.1 | -71 | 0 | 0 | 0 | 109.6 | R387 E541 | R387-D539 WeakPolarHBondContact CB-OD1 3.39Å; R387-D539 WeakPolarHBondContact CD-OD1 3.29Å; R387-D539 VanDerWaalsContact CG-OD1 3.26Å; R387-D539 WeakPolarHBondContact CG-OD1 3.42Å; R387-D539 IonicContact CZ-OD1 3.99Å; R387-D539 IonicContact NE-OD1 2.74Å; R387-D539 IonicContact NH1-OD1 2.89Å; R387-D539 PolarHBondContact NH1-OD1 3Å; R387-D539 IonicContact NH1-OD2 3.81Å; D539-E541 PolarHBondContact O-N 3.05Å |
| 540 | I | 86.3 | Confident | 85.2 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 97.7 | 169.5 | -61.6 | 158.2 | 0 | 0 | 0 | 107.3 | V367 Y370 I374 I386 R387 K394 I398 G542 | V367-I540 HydrophobicContact CB-CG2 4.49Å; V367-I540 HydrophobicContact CG2-CD1 3.72Å; Y370-I540 HydrophobicContact CD2-CG2 3.77Å; Y370-I540 HydrophobicContact CE2-CG2 3.96Å; Y370-I540 HydrophobicContact CG-CG1 4.33Å; Y370-I540 HydrophobicContact CG-CG2 4.27Å; I374-I540 HydrophobicContact CD1-CD1 4.03Å; I374-I540 HydrophobicContact CD1-CG1 4.29Å; I386-I540 HydrophobicContact CG2-CD1 3.4Å; I386-I540 VanDerWaalsContact CG2-CD1 3.4Å; I386-I540 HydrophobicContact CG2-CG1 4.13Å; R387-I540 PolarHBondContact O-N 2.98Å; K394-I540 HydrophobicContact CD-CD1 4.3Å; K394-I540 HydrophobicContact CG-CD1 3.96Å; I398-I540 HydrophobicContact CD1-CD1 4.45Å; I540-G542 PolarHBondContact O-N 3.32Å |
| 541 | E | 76.2 | Confident | 85.5 | Confident | 158 Ų | 158 | 62.1 Ų | 62.1 | 74% | 0.738 | 32% | 0.321 | S | S | * | . | trans | -74.9 | 117.4 | 168.4 | -53.7 | -169.9 | 151.9 | 0 | 0 | 109.2 | Y370 D539 | Y370-E541 VanDerWaalsContact CE2-O 3.24Å; Y370-E541 WeakPolarHBondContact CE2-O 3.49Å; Y370-E541 WeakPolarHBondContact OH-CB 3.38Å; Y370-E541 PolarHBondContact OH-N 3.28Å; Y370-E541 PolarHBondContact OH-O 3.2Å; D539-E541 PolarHBondContact O-N 3.05Å | ||
| 542 | G | 61.4 | Low | 85.7 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | trans | 166.8 | 84 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P366 C392 I540 | P366-G542 WeakPolarHBondContact CB-O 3.35Å; C392-G542 WeakPolarHBondContact CB-O 3.35Å; I540-G542 PolarHBondContact O-N 3.32Å | ||
| 543 | R | 53.5 | Low | 85.9 | Confident | 189 Ų | 189 | 60.8 Ų | 60.8 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 142.7 | 173.9 | -56.7 | -159.5 | 162 | 149.4 | 0.9 | 109.9 | E389 | E389-R543 IonicContact OE1-NE 3.71Å; E389-R543 PolarHBondContact OE1-NE 2.95Å; E389-R543 WeakPolarHBondContact OE2-CA 3.5Å; E389-R543 WeakPolarHBondContact OE2-CG 3.47Å |
| 544 | T | 63 | Low | 86.3 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.08 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 167.9 | 149.6 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | T390 G746 | T390-T544 VanDerWaalsContact O-CG2 3.29Å; T390-T544 WeakPolarHBondContact O-CG2 3.21Å; T544-G746 WeakPolarHBondContact CB-O 3.4Å |
| 545 | H | 78.4 | Confident | 87 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -53.1 | 145.6 | -178.2 | -56.2 | -99.5 | 0 | 0 | 0 | 112 | V547 G746 V748 R749 P750 | H545-V547 PolarHBondContact O-N 2.75Å; H545-G746 VanDerWaalsContact CB-O 3.26Å; H545-G746 WeakPolarHBondContact CB-O 3.22Å; H545-G746 PolarHBondContact CD2-O 2.87Å; H545-G746 PolarHBondContact N-O 2.95Å; H545-G746 VanDerWaalsContact O-CA 3.22Å; H545-G746 WeakPolarHBondContact O-CA 3.4Å; H545-V748 VanDerWaalsContact CD2-C 3.4Å; H545-V748 PolarHBondContact NE2-O 2.98Å; H545-R749 PolarHBondContact CD2-N 3.05Å; H545-P750 HydrophobicContact CB-CB 4.43Å; H545-P750 HydrophobicContact CB-CG 3.98Å; H545-P750 VanDerWaalsContact CB-N 3.27Å |
| 546 | P | 87.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 138.8 | -170 | 21.2 | -33.8 | 0 | 0 | 0 | 112.5 | P750 G751 | P546-P750 HydrophobicContact CG-CB 4.4Å; P546-P750 HydrophobicContact CG-CG 4.45Å; P546-P750 VanDerWaalsContact O-CA 3.32Å; P546-P750 WeakPolarHBondContact O-CA 3.09Å; P546-G751 PolarHBondContact O-N 3.4Å |
| 547 | V | 90.7 | Very high | 87.3 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.2 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | H545 R742 A745 G751 A753 | H545-V547 PolarHBondContact O-N 2.75Å; V547-R742 HydrophobicContact CB-CG 4.07Å; V547-R742 HydrophobicContact CG1-CG 3.65Å; V547-A745 HydrophobicContact CG1-CB 3.96Å; V547-A745 HydrophobicContact CG2-CB 3.88Å; V547-G751 CarbonylContact C-O 3.56Å; V547-G751 VanDerWaalsContact CA-O 3.31Å; V547-G751 WeakPolarHBondContact CA-O 3.35Å; V547-A753 HydrophobicContact CG1-CB 3.86Å |
| 548 | E | 95.3 | Very high | 87.5 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.8 | 169.1 | -165.4 | 178.5 | 157.3 | 0 | 0 | 108.4 | Y550 G751 F752 A753 | E548-Y550 HydrophobicContact CG-CE1 4.16Å; E548-Y550 WeakPolarHBondContact OE1-CE1 3.16Å; E548-Y550 VanDerWaalsContact OE1-CZ 3.26Å; E548-Y550 PolarHBondContact OE1-OH 3.31Å; E548-Y550 PolarHBondContact OE2-OH 3.46Å; E548-G751 PolarHBondContact N-O 3.27Å; E548-F752 HydrophobicContact CB-CD1 3.99Å; E548-F752 HydrophobicContact CB-CE1 4.27Å; E548-F752 CarbonylContact O-C 3.58Å; E548-F752 VanDerWaalsContact O-CA 3.25Å; E548-F752 WeakPolarHBondContact O-CA 3.4Å; E548-A753 PolarHBondContact O-N 3.05Å |
| 549 | Y | 95.3 | Very high | 87.6 | Confident | 103 Ų | 103 | 53.5 Ų | 53.5 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 146.2 | -174 | 67.8 | -88.1 | 0 | 0 | 0 | 113.5 | F551 A753 | Y549-F551 HydrophobicContact CD2-CE2 4.32Å; Y549-F551 HydrophobicContact CE2-CE2 4Å; Y549-F551 HydrophobicContact CE2-CZ 4.23Å; Y549-A753 CarbonylContact C-O 3.52Å; Y549-A753 WeakPolarHBondContact CA-O 3.35Å |
| 550 | Y | 97.6 | Very high | 87.9 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.5 | -167.9 | -53.3 | -69.2 | 0 | 0 | 0 | 109.8 | E548 D554 M558 F752 A753 F754 H755 | E548-Y550 HydrophobicContact CG-CE1 4.16Å; E548-Y550 WeakPolarHBondContact OE1-CE1 3.16Å; E548-Y550 VanDerWaalsContact OE1-CZ 3.26Å; E548-Y550 PolarHBondContact OE1-OH 3.31Å; E548-Y550 PolarHBondContact OE2-OH 3.46Å; Y550-D554 HydrophobicContact CD1-CB 4.19Å; Y550-D554 HydrophobicContact CG-CB 4.41Å; Y550-M558 HydrophobicContact CD1-CE 3.7Å; Y550-M558 HydrophobicContact CD2-CE 3.74Å; Y550-M558 HydrophobicContact CE1-CE 3.6Å; Y550-M558 HydrophobicContact CE2-CE 3.59Å; Y550-M558 HydrophobicContact CG-CE 3.76Å; Y550-F752 HydrophobicContact CE2-CD1 4.1Å; Y550-A753 PolarHBondContact N-O 2.92Å; Y550-F754 AromaticContact CD2-CD1 3.56Å; Y550-F754 HydrophobicContact CD2-CD1 3.56Å; Y550-F754 AromaticContact CD2-CE1 3.38Å; Y550-F754 HydrophobicContact CD2-CE1 3.38Å; Y550-F754 HydrophobicContact CD2-CG 4.44Å; Y550-F754 HydrophobicContact CD2-CZ 4.14Å; Y550-F754 HydrophobicContact CE2-CD1 4.3Å; Y550-F754 AromaticContact CE2-CE1 3.66Å; Y550-F754 HydrophobicContact CE2-CE1 3.66Å; Y550-F754 HydrophobicContact CE2-CZ 4.09Å; Y550-F754 HydrophobicContact CG-CD1 4.34Å; Y550-F754 HydrophobicContact CG-CE1 4.4Å; Y550-H755 PolarHBondContact O-N 3.17Å |
| 551 | F | 97.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | trans | -93.5 | -178.4 | 171.6 | -70.1 | -73.8 | 0 | 0 | 0 | 111.6 | Y549 E553 D554 C555 H755 R759 F762 | Y549-F551 HydrophobicContact CD2-CE2 4.32Å; Y549-F551 HydrophobicContact CE2-CE2 4Å; Y549-F551 HydrophobicContact CE2-CZ 4.23Å; F551-E553 PolarHBondContact O-N 3.26Å; F551-D554 PolarHBondContact N-OD2 2.93Å; F551-D554 WeakPolarHBondContact O-CB 3.49Å; F551-D554 PolarHBondContact O-N 2.72Å; F551-C555 PolarHBondContact O-N 3.08Å; F551-C555 PolarHBondContact O-SG 3.35Å; F551-H755 CarbonylContact C-O 3.55Å; F551-H755 WeakPolarHBondContact CA-O 3.35Å; F551-H755 HydrophobicContact CD1-CB 4.2Å; F551-H755 HydrophobicContact CE1-CB 4.43Å; F551-R759 HydrophobicContact CB-CB 4.46Å; F551-R759 HydrophobicContact CD2-CB 4.09Å; F551-R759 HydrophobicContact CD2-CG 4.3Å; F551-R759 HydrophobicContact CE2-CG 4.29Å; F551-R759 HydrophobicContact CG-CB 4.14Å; F551-F762 HydrophobicContact CD1-CB 4.18Å; F551-F762 HydrophobicContact CE1-CB 3.51Å; F551-F762 HydrophobicContact CE1-CD1 4.15Å; F551-F762 AromaticContact CE1-CD2 3.63Å; F551-F762 HydrophobicContact CE1-CD2 3.63Å; F551-F762 HydrophobicContact CE1-CE2 4.4Å; F551-F762 AromaticContact CE1-CG 3.48Å; F551-F762 HydrophobicContact CE1-CG 3.48Å; F551-F762 VanDerWaalsContact CE1-CG 3.48Å; F551-F762 HydrophobicContact CZ-CB 4.05Å; F551-F762 AromaticContact CZ-CD1 3.87Å; F551-F762 HydrophobicContact CZ-CD1 3.87Å; F551-F762 HydrophobicContact CZ-CD2 4Å; F551-F762 HydrophobicContact CZ-CE1 4.33Å; F551-F762 HydrophobicContact CZ-CE2 4.45Å; F551-F762 AromaticContact CZ-CG 3.69Å; F551-F762 HydrophobicContact CZ-CG 3.69Å | ||
| 552 | L | 96.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | -176.2 | -177.9 | 59.6 | 0 | 0 | 0 | 112.7 | D554 C555 I556 N589 M604 L616 H755 C757 | L552-D554 PolarHBondContact O-N 2.76Å; L552-C555 PolarHBondContact O-N 2.85Å; L552-I556 HydrophobicContact CD1-CD1 3.91Å; L552-I556 HydrophobicContact CD1-CG1 4.19Å; L552-I556 HydrophobicContact CG-CD1 3.8Å; L552-I556 VanDerWaalsContact O-CG1 3.26Å; L552-I556 WeakPolarHBondContact O-CG1 3.26Å; L552-I556 PolarHBondContact O-N 3.22Å; L552-N589 WeakPolarHBondContact CD2-ND2 3.46Å; L552-M604 HydrophobicContact CB-SD 4.16Å; L552-M604 HydrophobicContact CD2-CG 3.79Å; L552-M604 HydrophobicContact CD2-SD 4.1Å; L552-M604 HydrophobicContact CG-CG 4.04Å; L552-M604 HydrophobicContact CG-SD 4Å; L552-L616 HydrophobicContact CD1-CD2 3.89Å; L552-H755 PolarHBondContact N-O 3.24Å; L552-C757 VanDerWaalsContact CB-C 3.46Å; L552-C757 WeakPolarHBondContact CB-O 3.5Å; L552-C757 PolarHBondContact N-O 2.94Å |
| 553 | E | 95.8 | Very high | 90 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176 | 57.1 | -83.5 | -166.3 | 0 | 0 | 113.1 | F551 K557 Y596 V600 M604 S758 R759 | F551-E553 PolarHBondContact O-N 3.26Å; E553-K557 VanDerWaalsContact O-CB 3.3Å; E553-K557 WeakPolarHBondContact O-CB 3.43Å; E553-K557 PolarHBondContact O-N 3.05Å; E553-K557 VanDerWaalsContact O-N 3.1Å; E553-Y596 HydrophobicContact CB-CD1 3.8Å; E553-Y596 HydrophobicContact CB-CD2 4.5Å; E553-Y596 HydrophobicContact CB-CE1 3.88Å; E553-Y596 HydrophobicContact CB-CG 4.15Å; E553-Y596 HydrophobicContact CG-CD1 4.03Å; E553-Y596 HydrophobicContact CG-CD2 4.36Å; E553-Y596 HydrophobicContact CG-CE1 3.6Å; E553-Y596 HydrophobicContact CG-CE2 3.96Å; E553-Y596 HydrophobicContact CG-CG 4.41Å; E553-V600 HydrophobicContact CB-CG1 4.44Å; E553-M604 HydrophobicContact CB-CE 4.42Å; E553-M604 HydrophobicContact CB-SD 3.8Å; E553-S758 VanDerWaalsContact OE2-CA 3.23Å; E553-S758 WeakPolarHBondContact OE2-CA 3.45Å; E553-R759 WeakPolarHBondContact OE1-CB 3.36Å; E553-R759 PolarHBondContact OE1-N 3.04Å; E553-R759 VanDerWaalsContact OE1-N 3.11Å; E553-R759 IonicContact OE1-NE 2.94Å; E553-R759 PolarHBondContact OE2-N 2.79Å |
| 554 | D | 96.7 | Very high | 91.3 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.7 | -63.2 | -59 | 0 | 0 | 0 | 110.7 | Y550 F551 L552 K557 M558 Y596 R759 | Y550-D554 HydrophobicContact CD1-CB 4.19Å; Y550-D554 HydrophobicContact CG-CB 4.41Å; F551-D554 PolarHBondContact N-OD2 2.93Å; F551-D554 WeakPolarHBondContact O-CB 3.49Å; F551-D554 PolarHBondContact O-N 2.72Å; L552-D554 PolarHBondContact O-N 2.76Å; D554-K557 PolarHBondContact O-N 3.37Å; D554-M558 WeakPolarHBondContact O-CB 3.4Å; D554-M558 PolarHBondContact O-N 3.04Å; D554-Y596 PolarHBondContact OD1-OH 3.49Å; D554-R759 IonicContact OD2-NH2 2.81Å |
| 555 | C | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | -179.6 | -67.3 | 0 | 0 | 0 | 0 | 112 | F551 L552 M558 V559 L620 L756 | F551-C555 PolarHBondContact O-N 3.08Å; F551-C555 PolarHBondContact O-SG 3.35Å; L552-C555 PolarHBondContact O-N 2.85Å; C555-M558 PolarHBondContact O-N 3.22Å; C555-V559 PolarHBondContact O-N 2.89Å; C555-L620 HydrophobicContact CB-CD1 4.46Å; C555-L620 HydrophobicContact CB-CD2 4.15Å; C555-L756 HydrophobicContact CB-CD2 4.47Å |
| 556 | I | 96 | Very high | 91.2 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 178 | -69.5 | 165.5 | 0 | 0 | 0 | 110.2 | L552 N560 F561 V600 M604 I607 | L552-I556 HydrophobicContact CD1-CD1 3.91Å; L552-I556 HydrophobicContact CD1-CG1 4.19Å; L552-I556 HydrophobicContact CG-CD1 3.8Å; L552-I556 VanDerWaalsContact O-CG1 3.26Å; L552-I556 WeakPolarHBondContact O-CG1 3.26Å; L552-I556 PolarHBondContact O-N 3.22Å; I556-N560 VanDerWaalsContact O-CA 3.32Å; I556-N560 WeakPolarHBondContact O-CA 3.41Å; I556-N560 PolarHBondContact O-N 3.05Å; I556-F561 HydrophobicContact CG2-CB 4.3Å; I556-F561 PolarHBondContact O-N 2.94Å; I556-V600 HydrophobicContact CB-CG1 4.19Å; I556-V600 HydrophobicContact CG2-CB 4.38Å; I556-V600 HydrophobicContact CG2-CG1 3.87Å; I556-V600 HydrophobicContact CG2-CG2 4.42Å; I556-M604 HydrophobicContact CD1-CB 3.65Å; I556-M604 HydrophobicContact CD1-CG 3.89Å; I556-I607 HydrophobicContact CD1-CD1 3.79Å; I556-I607 HydrophobicContact CG1-CD1 4.33Å |
| 557 | K | 96.2 | Very high | 90.3 | Very high | 93 Ų | 93 | 52 Ų | 52 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.6 | -171.1 | 167.6 | 176.9 | 175.7 | 0 | 112.4 | E553 D554 V559 V595 Y596 V600 | E553-K557 VanDerWaalsContact O-CB 3.3Å; E553-K557 WeakPolarHBondContact O-CB 3.43Å; E553-K557 PolarHBondContact O-N 3.05Å; E553-K557 VanDerWaalsContact O-N 3.1Å; D554-K557 PolarHBondContact O-N 3.37Å; K557-V559 VanDerWaalsContact C-N 3.33Å; K557-V559 PolarHBondContact O-N 2.72Å; K557-V595 PolarHBondContact NZ-O 3.48Å; K557-V595 VanDerWaalsContact NZ-O 3.16Å; K557-Y596 HydrophobicContact CB-CD1 4.4Å; K557-Y596 HydrophobicContact CD-CD1 3.65Å; K557-Y596 HydrophobicContact CD-CE1 4.33Å; K557-Y596 HydrophobicContact CD-CG 4.42Å; K557-V600 HydrophobicContact CB-CG1 4.41Å; K557-V600 HydrophobicContact CB-CG2 3.88Å; K557-V600 HydrophobicContact CG-CG2 4.16Å |
| 558 | M | 95.1 | Very high | 89 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -29.7 | -177.1 | -175.5 | -174 | -57.2 | 0 | 0 | 114.2 | Y550 D554 C555 K623 F754 | Y550-M558 HydrophobicContact CD1-CE 3.7Å; Y550-M558 HydrophobicContact CD2-CE 3.74Å; Y550-M558 HydrophobicContact CE1-CE 3.6Å; Y550-M558 HydrophobicContact CE2-CE 3.59Å; Y550-M558 HydrophobicContact CG-CE 3.76Å; D554-M558 WeakPolarHBondContact O-CB 3.4Å; D554-M558 PolarHBondContact O-N 3.04Å; C555-M558 PolarHBondContact O-N 3.22Å; M558-K623 HydrophobicContact CG-CD 4.11Å; M558-K623 VanDerWaalsContact CG-CE 3.44Å; M558-K623 HydrophobicContact CG-CG 4.13Å; M558-K623 PolarHBondContact O-NZ 3.17Å; M558-K623 HydrophobicContact SD-CD 4.42Å; M558-K623 HydrophobicContact SD-CG 3.89Å; M558-F754 HydrophobicContact CE-CE1 4.06Å; M558-F754 HydrophobicContact SD-CE1 3.91Å |
| 559 | V | 95.5 | Very high | 87.6 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -114.8 | 3.6 | -179 | -46.6 | 0 | 0 | 0 | 0 | 113.5 | C555 K557 F561 L616 A619 L620 K623 | C555-V559 PolarHBondContact O-N 2.89Å; K557-V559 VanDerWaalsContact C-N 3.33Å; K557-V559 PolarHBondContact O-N 2.72Å; V559-F561 VanDerWaalsContact C-N 3.29Å; V559-F561 HydrophobicContact CG2-CB 3.77Å; V559-F561 PolarHBondContact O-N 2.86Å; V559-L616 HydrophobicContact CG2-CD1 4.28Å; V559-A619 HydrophobicContact CB-CB 4.21Å; V559-A619 HydrophobicContact CG2-CB 3.82Å; V559-L620 HydrophobicContact CG1-CD2 4.01Å; V559-K623 HydrophobicContact CG1-CB 3.77Å; V559-K623 HydrophobicContact CG1-CD 4.41Å; V559-K623 HydrophobicContact CG1-CG 4.05Å |
| 560 | N | 94.2 | Very high | 86.2 | Confident | 138 Ų | 138 | 57.3 Ų | 57.3 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 44.9 | -172.6 | -62.1 | -57.5 | 0 | 0 | 0 | 112.9 | I556 V562 | I556-N560 VanDerWaalsContact O-CA 3.32Å; I556-N560 WeakPolarHBondContact O-CA 3.41Å; I556-N560 PolarHBondContact O-N 3.05Å; N560-V562 PolarHBondContact O-N 3.12Å |
| 561 | F | 93.8 | Very high | 84.6 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | trans | -68.7 | 125.3 | -175.5 | -172.2 | -106.7 | 0 | 0 | 0 | 111.7 | I556 V559 P563 S603 I607 P613 E615 L616 | I556-F561 HydrophobicContact CG2-CB 4.3Å; I556-F561 PolarHBondContact O-N 2.94Å; V559-F561 VanDerWaalsContact C-N 3.29Å; V559-F561 HydrophobicContact CG2-CB 3.77Å; V559-F561 PolarHBondContact O-N 2.86Å; F561-P563 HydrophobicContact CD1-CG 4.31Å; F561-P563 HydrophobicContact CE1-CB 4.13Å; F561-P563 HydrophobicContact CE1-CG 3.92Å; F561-S603 WeakPolarHBondContact O-CB 3.31Å; F561-S603 PolarHBondContact O-OG 2.81Å; F561-I607 HydrophobicContact CD1-CD1 4.13Å; F561-I607 HydrophobicContact CE1-CD1 4.04Å; F561-P613 HydrophobicContact CE1-CB 4.44Å; F561-P613 HydrophobicContact CE1-CG 4.25Å; F561-P613 HydrophobicContact CZ-CB 3.99Å; F561-P613 HydrophobicContact CZ-CG 4.3Å; F561-E615 HydrophobicContact CE2-CB 3.84Å; F561-E615 HydrophobicContact CZ-CB 4.13Å; F561-L616 HydrophobicContact CB-CD1 3.95Å; F561-L616 HydrophobicContact CD1-CB 4.35Å; F561-L616 HydrophobicContact CD1-CD1 4.11Å; F561-L616 HydrophobicContact CD2-CB 4.19Å; F561-L616 HydrophobicContact CD2-CD1 4.09Å; F561-L616 HydrophobicContact CE1-CB 4.08Å; F561-L616 HydrophobicContact CE2-CB 3.93Å; F561-L616 HydrophobicContact CG-CB 4.4Å; F561-L616 HydrophobicContact CG-CD1 3.78Å; F561-L616 HydrophobicContact CZ-CB 3.87Å | ||
| 562 | V | 90.9 | Very high | 83 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | trans | -113.4 | 125.4 | 164.5 | -179.1 | 0 | 0 | 0 | 0 | 107 | N560 | N560-V562 PolarHBondContact O-N 3.12Š| ||
| 563 | P | 84.9 | Confident | 81.6 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 7% | 0.071 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 143.8 | 179.7 | -24.7 | 34.7 | 0 | 0 | 0 | 112.2 | F561 S603 E606 I607 | F561-P563 HydrophobicContact CD1-CG 4.31Å; F561-P563 HydrophobicContact CE1-CB 4.13Å; F561-P563 HydrophobicContact CE1-CG 3.92Å; P563-S603 WeakPolarHBondContact CG-O 3.41Å; P563-E606 HydrophobicContact CG-CB 4.06Å; P563-I607 HydrophobicContact CG-CD1 4.28Å; P563-I607 HydrophobicContact CG-CG1 3.9Å |
| 564 | P | 80.7 | Confident | 80 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 137.7 | 169.6 | 26.6 | -33.4 | 0 | 0 | 0 | 109.5 | V566 E615 | P564-V566 PolarHBondContact O-N 2.85Å; P564-V566 VanDerWaalsContact O-N 3.08Å; P564-E615 HydrophobicContact CG-CG 4.32Å |
| 565 | P | 72.6 | Confident | 78.3 | Confident | 128 Ų | 128 | 76.6 Ų | 76.6 | 83% | 0.831 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 116.7 | -170.6 | 22.2 | -33.4 | 0 | 0 | 0 | 111.4 | D567 | P565-D567 PolarHBondContact O-N 2.98Š|
| 566 | V | 66.6 | Low | 76.5 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 124.9 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | P564 E568 K570 R571 | P564-V566 PolarHBondContact O-N 2.85Å; P564-V566 VanDerWaalsContact O-N 3.08Å; V566-E568 PolarHBondContact O-N 3.16Å; V566-E568 VanDerWaalsContact O-N 3.16Å; V566-K570 HydrophobicContact CG1-CB 4.13Å; V566-K570 HydrophobicContact CG1-CD 4.33Å; V566-K570 HydrophobicContact CG1-CG 4.47Å; V566-R571 HydrophobicContact CG1-CB 4.28Å |
| 567 | D | 67.4 | Low | 74.5 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | trans | -43 | 121.7 | 172.3 | 174.2 | -1.7 | 0 | 0 | 0 | 110.5 | P565 K569 K570 R571 | P565-D567 PolarHBondContact O-N 2.98Å; D567-K569 PolarHBondContact O-N 3.09Å; D567-K569 WeakPolarHBondContact OD1-CB 3.14Å; D567-K569 PolarHBondContact OD1-N 2.9Å; D567-K570 HydrophobicContact CB-CB 4.23Å; D567-K570 CarbonylContact O-C 3.55Å; D567-K570 WeakPolarHBondContact O-CA 3.41Å; D567-K570 WeakPolarHBondContact O-CB 3.46Å; D567-K570 PolarHBondContact O-N 3.34Å; D567-R571 PolarHBondContact O-N 2.77Å | ||
| 568 | E | 64.5 | Low | 72.5 | Confident | 86 Ų | 86 | 85 Ų | 85 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -51 | -33.4 | -179.2 | -104.7 | -73.3 | 112.3 | 0 | 0 | 112.4 | V566 R571 K572 | V566-E568 PolarHBondContact O-N 3.16Å; V566-E568 VanDerWaalsContact O-N 3.16Å; E568-R571 PolarHBondContact O-N 2.85Å; E568-R571 IonicContact OE1-CZ 3.17Å; E568-R571 IonicContact OE1-NE 2.77Å; E568-R571 PolarHBondContact OE1-NE 3.26Å; E568-R571 IonicContact OE1-NH2 2.68Å; E568-R571 PolarHBondContact OE1-NH2 3.36Å; E568-K572 WeakPolarHBondContact O-CB 3.43Å; E568-K572 PolarHBondContact O-N 3.3Å; E568-K572 WeakPolarHBondContact OE2-CE 3.46Å; E568-K572 IonicContact OE2-NZ 2.63Å; E568-K572 PolarHBondContact OE2-NZ 3.48Å |
| 569 | K | 64.6 | Low | 70.2 | Confident | 165 Ų | 165 | 89.6 Ų | 89.6 | 72% | 0.717 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | 173.5 | -84.9 | 175.5 | 173.4 | 167.2 | 0 | 113 | D567 R573 | D567-K569 PolarHBondContact O-N 3.09Å; D567-K569 WeakPolarHBondContact OD1-CB 3.14Å; D567-K569 PolarHBondContact OD1-N 2.9Å; K569-R573 WeakPolarHBondContact O-CB 3.44Å; K569-R573 PolarHBondContact O-N 3.14Å |
| 570 | K | 65.7 | Low | 68 | Low | 101 Ų | 101 | 93.9 Ų | 93.9 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.3 | -36.5 | 174 | -163.9 | -173.2 | 178.9 | -164.1 | 0 | 110.4 | V566 D567 R574 E611 | V566-K570 HydrophobicContact CG1-CB 4.13Å; V566-K570 HydrophobicContact CG1-CD 4.33Å; V566-K570 HydrophobicContact CG1-CG 4.47Å; D567-K570 HydrophobicContact CB-CB 4.23Å; D567-K570 CarbonylContact O-C 3.55Å; D567-K570 WeakPolarHBondContact O-CA 3.41Å; D567-K570 WeakPolarHBondContact O-CB 3.46Å; D567-K570 PolarHBondContact O-N 3.34Å; K570-R574 WeakPolarHBondContact O-CG 3.34Å; K570-R574 PolarHBondContact O-N 2.68Å; K570-E611 IonicContact NZ-OE2 2.78Å; K570-E611 PolarHBondContact NZ-OE2 3.42Å; K570-E611 VanDerWaalsContact NZ-OE2 3.13Å |
| 571 | R | 65.9 | Low | 65.9 | Low | 118 Ų | 118 | 89.3 Ų | 89.3 | 45% | 0.445 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -51 | 178 | -161.8 | 176 | 76.3 | 110.8 | -0.9 | 112.4 | V566 D567 E568 R573 R574 Q575 | V566-R571 HydrophobicContact CG1-CB 4.28Å; D567-R571 PolarHBondContact O-N 2.77Å; E568-R571 PolarHBondContact O-N 2.85Å; E568-R571 IonicContact OE1-CZ 3.17Å; E568-R571 IonicContact OE1-NE 2.77Å; E568-R571 PolarHBondContact OE1-NE 3.26Å; E568-R571 IonicContact OE1-NH2 2.68Å; E568-R571 PolarHBondContact OE1-NH2 3.36Å; R571-R573 PolarHBondContact O-N 2.61Å; R571-R574 WeakPolarHBondContact O-CB 3.36Å; R571-R574 PolarHBondContact O-N 3.31Å; R571-R574 VanDerWaalsContact O-N 3.11Å; R571-Q575 PolarHBondContact O-N 3.03Å |
| 572 | K | 63.3 | Low | 63.5 | Low | 112 Ų | 112 | 96 Ų | 96 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 177.5 | -78.8 | -178.4 | 172.4 | 166.5 | 0 | 112.6 | E568 R574 Q575 E576 | E568-K572 WeakPolarHBondContact O-CB 3.43Å; E568-K572 PolarHBondContact O-N 3.3Å; E568-K572 WeakPolarHBondContact OE2-CE 3.46Å; E568-K572 IonicContact OE2-NZ 2.63Å; E568-K572 PolarHBondContact OE2-NZ 3.48Å; K572-R574 PolarHBondContact O-N 3.01Å; K572-Q575 PolarHBondContact O-N 2.88Å; K572-Q575 VanDerWaalsContact O-N 3.12Å; K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 2.92Å |
| 573 | R | 65.3 | Low | 61.6 | Low | 119 Ų | 119 | 97.1 Ų | 97.1 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.6 | -30.5 | 175.2 | -84.8 | -167.8 | -179 | 170.9 | 6.4 | 114.5 | Y124 K569 R571 L577 | Y124-R573 VanDerWaalsContact CD2-CZ 3.44Å; K569-R573 WeakPolarHBondContact O-CB 3.44Å; K569-R573 PolarHBondContact O-N 3.14Å; R571-R573 PolarHBondContact O-N 2.61Å; R573-L577 WeakPolarHBondContact O-CB 3.33Å; R573-L577 PolarHBondContact O-N 2.83Å; R573-L577 VanDerWaalsContact O-N 3.11Å |
| 574 | R | 62.5 | Low | 60.1 | Low | 41 Ų | 41 | 98.5 Ų | 98.5 | 16% | 0.155 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.7 | -49.5 | 174.4 | -76.9 | 175 | 168.8 | -173.6 | -9.1 | 110.6 | K570 R571 K572 E576 L577 E578 T608 E611 | K570-R574 WeakPolarHBondContact O-CG 3.34Å; K570-R574 PolarHBondContact O-N 2.68Å; R571-R574 WeakPolarHBondContact O-CB 3.36Å; R571-R574 PolarHBondContact O-N 3.31Å; R571-R574 VanDerWaalsContact O-N 3.11Å; K572-R574 PolarHBondContact O-N 3.01Å; R574-E576 VanDerWaalsContact C-N 3.32Å; R574-E576 PolarHBondContact O-N 3.18Å; R574-L577 WeakPolarHBondContact O-CB 3.3Å; R574-L577 PolarHBondContact O-N 3.45Å; R574-L577 VanDerWaalsContact O-N 3.08Å; R574-E578 WeakPolarHBondContact O-CG 3.18Å; R574-E578 PolarHBondContact O-N 2.78Å; R574-T608 VanDerWaalsContact CZ-CG2 3.46Å; R574-T608 PolarHBondContact NH1-OG1 2.85Å; R574-T608 PolarHBondContact NH2-OG1 2.75Å; R574-E611 IonicContact CZ-OE2 2.67Å; R574-E611 IonicContact NH2-OE1 3.55Å; R574-E611 PolarHBondContact NH2-OE1 2.94Å; R574-E611 IonicContact NH2-OE2 3.14Å; R574-E611 PolarHBondContact NH2-OE2 3.5Å |
| 575 | Q | 60.9 | Low | 59.2 | Low | 94 Ų | 94 | 98 Ų | 98 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 177.7 | -65.8 | -179 | -46.1 | 0 | 0 | 112 | R571 K572 E578 N579 | R571-Q575 PolarHBondContact O-N 3.03Å; K572-Q575 PolarHBondContact O-N 2.88Å; K572-Q575 VanDerWaalsContact O-N 3.12Å; Q575-E578 PolarHBondContact O-N 2.84Å; Q575-N579 VanDerWaalsContact O-CB 3.25Å; Q575-N579 WeakPolarHBondContact O-CB 3.46Å; Q575-N579 PolarHBondContact O-N 2.83Å; Q575-N579 PolarHBondContact O-ND2 3.43Å |
| 576 | E | 59.1 | Low | 59.2 | Low | 104 Ų | 104 | 96.4 Ų | 96.4 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 171.7 | -71.4 | 168.7 | 163 | 0 | 0 | 112.2 | K572 R574 V580 | K572-E576 WeakPolarHBondContact O-CG 3.47Å; K572-E576 PolarHBondContact O-N 2.92Å; R574-E576 VanDerWaalsContact C-N 3.32Å; R574-E576 PolarHBondContact O-N 3.18Å; E576-V580 VanDerWaalsContact O-CG2 3.28Å; E576-V580 WeakPolarHBondContact O-CG2 3.25Å; E576-V580 PolarHBondContact O-N 3.25Å |
| 577 | L | 55.4 | Low | 60 | Low | 104 Ų | 104 | 95.4 Ų | 95.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.3 | -119.3 | 73 | 0 | 0 | 0 | 113.2 | R573 R574 | R573-L577 WeakPolarHBondContact O-CB 3.33Å; R573-L577 PolarHBondContact O-N 2.83Å; R573-L577 VanDerWaalsContact O-N 3.11Å; R574-L577 WeakPolarHBondContact O-CB 3.3Å; R574-L577 PolarHBondContact O-N 3.45Å; R574-L577 VanDerWaalsContact O-N 3.08Å |
| 578 | E | 52.9 | Low | 61 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.6 | -40.3 | -176.8 | -66 | -168.3 | 125.4 | 0 | 0 | 111.8 | R184 R574 Q575 V580 T581 | R184-E578 IonicContact CZ-OE1 3.87Å; R184-E578 IonicContact NH1-OE1 2.81Å; R184-E578 IonicContact NH2-OE1 2.7Å; R184-E578 PolarHBondContact NH2-OE1 3.35Å; R574-E578 WeakPolarHBondContact O-CG 3.18Å; R574-E578 PolarHBondContact O-N 2.78Å; Q575-E578 PolarHBondContact O-N 2.84Å; E578-V580 PolarHBondContact O-N 3.13Å; E578-T581 PolarHBondContact O-N 3.03Å; E578-T581 PolarHBondContact O-OG1 3.47Å |
| 579 | N | 48.2 | Very low | 62.3 | Low | 135 Ų | 135 | 86.4 Ų | 86.4 | 72% | 0.722 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.8 | -22.7 | 176.8 | -71.2 | -9.3 | 0 | 0 | 0 | 113.7 | Q575 T581 | Q575-N579 VanDerWaalsContact O-CB 3.25Å; Q575-N579 WeakPolarHBondContact O-CB 3.46Å; Q575-N579 PolarHBondContact O-N 2.83Å; Q575-N579 PolarHBondContact O-ND2 3.43Å; N579-T581 VanDerWaalsContact C-N 3.26Å |
| 580 | V | 49.5 | Very low | 63.5 | Low | 122 Ų | 122 | 84.1 Ų | 84.1 | 74% | 0.739 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -8.8 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | E576 E578 | E576-V580 VanDerWaalsContact O-CG2 3.28Å; E576-V580 WeakPolarHBondContact O-CG2 3.25Å; E576-V580 PolarHBondContact O-N 3.25Å; E578-V580 PolarHBondContact O-N 3.13Å |
| 581 | T | 49.6 | Very low | 64.6 | Low | 43 Ų | 43 | 83.9 Ų | 83.9 | 26% | 0.264 | 42% | 0.415 | S | S | . | . | trans | -108.8 | 89.8 | 178.1 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | E578 N579 N583 A584 | E578-T581 PolarHBondContact O-N 3.03Å; E578-T581 PolarHBondContact O-OG1 3.47Å; N579-T581 VanDerWaalsContact C-N 3.26Å; T581-N583 PolarHBondContact O-N 3.25Å; T581-A584 PolarHBondContact O-N 3.08Å | ||
| 582 | D | 44.2 | Very low | 65.6 | Low | 156 Ų | 156 | 79.3 Ų | 79.3 | 83% | 0.834 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -14.1 | 179.7 | -71.9 | -39.4 | 0 | 0 | 0 | 116.3 | ||
| 583 | N | 49.6 | Very low | 66.8 | Low | 115 Ų | 115 | 78.2 Ų | 78.2 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.5 | 48.1 | 177.3 | -75.7 | -105.4 | 0 | 0 | 0 | 110.6 | K210 T581 | K210-N583 VanDerWaalsContact CE-O 3.27Å; K210-N583 WeakPolarHBondContact CE-O 3.17Å; K210-N583 PolarHBondContact NZ-O 3.21Å; T581-N583 PolarHBondContact O-N 3.25Å |
| 584 | A | 52.8 | Low | 67.8 | Low | 41 Ų | 41 | 77.8 Ų | 77.8 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | trans | -52.5 | 146.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T581 E586 | T581-A584 PolarHBondContact O-N 3.08Å; A584-E586 PolarHBondContact O-N 3.33Å | ||
| 585 | E | 62 | Low | 69.2 | Low | 51 Ų | 51 | 81.2 Ų | 81.2 | 24% | 0.238 | 44% | 0.438 | C | S | . | . | trans | -64.6 | 127.9 | 167 | -81.6 | -177.3 | 172.6 | 0 | 0 | 108.7 | T176 S177 N587 R761 | T176-E585 WeakPolarHBondContact CA-OE1 3.37Å; S177-E585 VanDerWaalsContact CB-CD 3.45Å; S177-E585 VanDerWaalsContact CB-OE2 3.31Å; S177-E585 WeakPolarHBondContact CB-OE2 3.47Å; S177-E585 PolarHBondContact N-OE1 2.63Å; S177-E585 VanDerWaalsContact OG-CD 3.24Å; S177-E585 PolarHBondContact OG-OE2 3.26Å; E585-N587 PolarHBondContact O-N 3.41Å; E585-R761 IonicContact OE2-NH1 3.57Å | ||
| 586 | E | 73.9 | Confident | 70.6 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | trans | -60.1 | 110.7 | 179.6 | -176.8 | -165.4 | -142.7 | 0 | 0 | 110.5 | A584 C588 K591 R764 | A584-E586 PolarHBondContact O-N 3.33Å; E586-C588 PolarHBondContact O-N 2.96Å; E586-C588 VanDerWaalsContact O-N 3.14Å; E586-C588 PolarHBondContact O-SG 2.96Å; E586-K591 WeakPolarHBondContact OE1-CE 3.34Å; E586-K591 IonicContact OE1-NZ 3.89Å; E586-K591 PolarHBondContact OE1-NZ 3.38Å; E586-K591 WeakPolarHBondContact OE2-CE 3.37Å; E586-K591 IonicContact OE2-NZ 3.21Å; E586-K591 PolarHBondContact OE2-NZ 2.83Å; E586-R764 PolarHBondContact O-NH1 2.84Å; E586-R764 IonicContact OE2-CZ 2.83Å; E586-R764 IonicContact OE2-NH1 3.61Å; E586-R764 PolarHBondContact OE2-NH1 3.21Å; E586-R764 IonicContact OE2-NH2 3.18Å; E586-R764 PolarHBondContact OE2-NH2 3.14Å | ||
| 587 | N | 83.3 | Confident | 72.1 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | trans | -56.3 | 114.4 | -177.4 | 176.3 | -7.7 | 0 | 0 | 0 | 110.7 | E585 N589 L590 E609 | E585-N587 PolarHBondContact O-N 3.41Å; N587-N589 VanDerWaalsContact C-N 3.32Å; N587-N589 PolarHBondContact O-N 3.28Å; N587-N589 WeakPolarHBondContact OD1-CB 3.32Å; N587-N589 PolarHBondContact OD1-N 3.42Å; N587-L590 HydrophobicContact CB-CD1 4.14Å; N587-L590 HydrophobicContact CB-CG 4.28Å; N587-L590 PolarHBondContact O-N 3.17Å; N587-E609 WeakPolarHBondContact OD1-CG 3.17Å | ||
| 588 | C | 88.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -79.2 | -15.8 | -173.4 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | E586 L590 K591 E609 S758 A760 R761 R764 | E586-C588 PolarHBondContact O-N 2.96Å; E586-C588 VanDerWaalsContact O-N 3.14Å; E586-C588 PolarHBondContact O-SG 2.96Å; C588-L590 PolarHBondContact O-N 2.9Å; C588-K591 WeakPolarHBondContact O-CB 3.41Å; C588-K591 PolarHBondContact O-N 3.45Å; C588-E609 VanDerWaalsContact CB-OE1 3.27Å; C588-E609 WeakPolarHBondContact CB-OE1 3.42Å; C588-E609 PolarHBondContact N-OE1 3.05Å; C588-S758 PolarHBondContact O-OG 2.82Å; C588-A760 HydrophobicContact CB-CB 4.15Å; C588-R761 HydrophobicContact CB-CB 3.82Å; C588-R764 PolarHBondContact SG-NH1 3.36Å |
| 589 | N | 91 | Very high | 75.7 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.011 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -69.7 | -14.2 | 173.2 | -72.4 | -0 | 0 | 0 | 0 | 112.9 | L552 N587 K591 M604 I607 E609 S758 | L552-N589 WeakPolarHBondContact CD2-ND2 3.46Å; N587-N589 VanDerWaalsContact C-N 3.32Å; N587-N589 PolarHBondContact O-N 3.28Å; N587-N589 WeakPolarHBondContact OD1-CB 3.32Å; N587-N589 PolarHBondContact OD1-N 3.42Å; N589-K591 VanDerWaalsContact C-N 3.27Å; N589-M604 HydrophobicContact CB-CG 4.02Å; N589-M604 VanDerWaalsContact O-CE 3.29Å; N589-M604 WeakPolarHBondContact O-CE 3.42Å; N589-I607 PolarHBondContact ND2-O 2.93Å; N589-E609 HydrophobicContact CB-CG 4.26Å; N589-S758 WeakPolarHBondContact OD1-CB 3.46Å; N589-S758 PolarHBondContact OD1-OG 2.67Å |
| 590 | L | 89.3 | Confident | 77.8 | Confident | 116 Ų | 116 | 72.8 Ų | 72.8 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -79.2 | -8.9 | 168.1 | -58.3 | 176.8 | 0 | 0 | 0 | 112.9 | N587 C588 | N587-L590 HydrophobicContact CB-CD1 4.14Å; N587-L590 HydrophobicContact CB-CG 4.28Å; N587-L590 PolarHBondContact O-N 3.17Å; C588-L590 PolarHBondContact O-N 2.9Å |
| 591 | K | 89.3 | Confident | 79.8 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | trans | -104.4 | 70.4 | -179.3 | -64 | -166.5 | 170.2 | -176 | 0 | 111.1 | E586 C588 N589 A760 | E586-K591 WeakPolarHBondContact OE1-CE 3.34Å; E586-K591 IonicContact OE1-NZ 3.89Å; E586-K591 PolarHBondContact OE1-NZ 3.38Å; E586-K591 WeakPolarHBondContact OE2-CE 3.37Å; E586-K591 IonicContact OE2-NZ 3.21Å; E586-K591 PolarHBondContact OE2-NZ 2.83Å; C588-K591 WeakPolarHBondContact O-CB 3.41Å; C588-K591 PolarHBondContact O-N 3.45Å; N589-K591 VanDerWaalsContact C-N 3.27Å; K591-A760 HydrophobicContact CB-CB 3.71Å | ||
| 592 | C | 88.2 | Confident | 81.8 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 14% | 0.142 | 40% | 0.397 | C | S | . | . | trans | -95.2 | 148 | 170 | -157 | 0 | 0 | 0 | 0 | 110.3 | V601 M604 | C592-V601 HydrophobicContact CB-CB 4.23Å; C592-V601 HydrophobicContact CB-CG1 4.02Å; C592-V601 HydrophobicContact CB-CG2 3.9Å; C592-M604 HydrophobicContact CB-CE 3.56Å | ||
| 593 | D | 87.5 | Confident | 84 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | trans | -74.9 | 133.8 | 170.1 | -170.6 | -57.9 | 0 | 0 | 0 | 110 | V595 Y596 | D593-V595 PolarHBondContact O-N 3.13Å; D593-V595 VanDerWaalsContact OD1-CB 3.24Å; D593-V595 WeakPolarHBondContact OD1-CB 3.31Å; D593-V595 VanDerWaalsContact OD1-CG2 3.23Å; D593-V595 WeakPolarHBondContact OD1-CG2 3.37Å; D593-V595 PolarHBondContact OD1-N 2.64Å; D593-Y596 HydrophobicContact CB-CD2 4.03Å; D593-Y596 HydrophobicContact CB-CE2 4.14Å; D593-Y596 WeakPolarHBondContact O-CD2 3.39Å; D593-Y596 PolarHBondContact O-N 3.38Å | ||
| 594 | P | 86.7 | Confident | 86 | Confident | 110 Ų | 110 | 61 Ų | 61 | 71% | 0.714 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -52.2 | -23.8 | 176.1 | -28.7 | 36.5 | 0 | 0 | 0 | 115.5 | Y596 G597 | P594-Y596 PolarHBondContact O-N 2.73Å; P594-Y596 VanDerWaalsContact O-N 3.11Å; P594-G597 PolarHBondContact O-N 3.47Å |
| 595 | V | 91.4 | Very high | 87.7 | Confident | 112 Ų | 112 | 60.2 Ų | 60.2 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -58.4 | -18.8 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 113.5 | K557 D593 | K557-V595 PolarHBondContact NZ-O 3.48Å; K557-V595 VanDerWaalsContact NZ-O 3.16Å; D593-V595 PolarHBondContact O-N 3.13Å; D593-V595 VanDerWaalsContact OD1-CB 3.24Å; D593-V595 WeakPolarHBondContact OD1-CB 3.31Å; D593-V595 VanDerWaalsContact OD1-CG2 3.23Å; D593-V595 WeakPolarHBondContact OD1-CG2 3.37Å; D593-V595 PolarHBondContact OD1-N 2.64Å |
| 596 | Y | 90.9 | Very high | 88.9 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -79.4 | -17.7 | 173.9 | -69.3 | -97 | 0 | 0 | 0 | 113.4 | E553 D554 K557 D593 P594 V600 | E553-Y596 HydrophobicContact CB-CD1 3.8Å; E553-Y596 HydrophobicContact CB-CD2 4.5Å; E553-Y596 HydrophobicContact CB-CE1 3.88Å; E553-Y596 HydrophobicContact CB-CG 4.15Å; E553-Y596 HydrophobicContact CG-CD1 4.03Å; E553-Y596 HydrophobicContact CG-CD2 4.36Å; E553-Y596 HydrophobicContact CG-CE1 3.6Å; E553-Y596 HydrophobicContact CG-CE2 3.96Å; E553-Y596 HydrophobicContact CG-CG 4.41Å; D554-Y596 PolarHBondContact OD1-OH 3.49Å; K557-Y596 HydrophobicContact CB-CD1 4.4Å; K557-Y596 HydrophobicContact CD-CD1 3.65Å; K557-Y596 HydrophobicContact CD-CE1 4.33Å; K557-Y596 HydrophobicContact CD-CG 4.42Å; D593-Y596 HydrophobicContact CB-CD2 4.03Å; D593-Y596 HydrophobicContact CB-CE2 4.14Å; D593-Y596 WeakPolarHBondContact O-CD2 3.39Å; D593-Y596 PolarHBondContact O-N 3.38Å; P594-Y596 PolarHBondContact O-N 2.73Å; P594-Y596 VanDerWaalsContact O-N 3.11Å; Y596-V600 HydrophobicContact CD1-CG1 4.37Å; Y596-V600 HydrophobicContact CG-CG1 4.47Å; Y596-V600 WeakPolarHBondContact O-CG2 3.44Å |
| 597 | G | 91.1 | Very high | 89.6 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | trans | 82.8 | 147.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P594 V599 V600 V601 | P594-G597 PolarHBondContact O-N 3.47Å; G597-V599 PolarHBondContact O-N 3.18Å; G597-V600 PolarHBondContact O-N 3.1Å; G597-V601 PolarHBondContact O-N 3.37Å | ||
| 598 | E | 91.1 | Very high | 89.5 | Confident | 146 Ų | 146 | 57.7 Ų | 57.7 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -50.9 | -37.4 | -167.8 | -65.9 | -171.2 | -174.1 | 0 | 0 | 115.4 | V600 V601 R602 | E598-V600 VanDerWaalsContact C-N 3.33Å; E598-V600 PolarHBondContact O-N 3.4Å; E598-V601 PolarHBondContact O-N 2.97Å; E598-R602 VanDerWaalsContact O-CB 3.26Å; E598-R602 WeakPolarHBondContact O-CB 3.21Å; E598-R602 PolarHBondContact O-N 2.92Å; E598-R602 IonicContact OE2-NH2 2.72Å; E598-R602 PolarHBondContact OE2-NH2 2.87Å |
| 599 | V | 91.9 | Very high | 89.3 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | -178.9 | -179 | 0 | 0 | 0 | 0 | 111 | G597 S603 | G597-V599 PolarHBondContact O-N 3.18Å; V599-S603 WeakPolarHBondContact O-CB 3.41Å; V599-S603 PolarHBondContact O-N 3.15Å; V599-S603 PolarHBondContact O-OG 2.97Å |
| 600 | V | 92.7 | Very high | 88.6 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 177 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | E553 I556 K557 Y596 G597 E598 R602 S603 M604 | E553-V600 HydrophobicContact CB-CG1 4.44Å; I556-V600 HydrophobicContact CB-CG1 4.19Å; I556-V600 HydrophobicContact CG2-CB 4.38Å; I556-V600 HydrophobicContact CG2-CG1 3.87Å; I556-V600 HydrophobicContact CG2-CG2 4.42Å; K557-V600 HydrophobicContact CB-CG1 4.41Å; K557-V600 HydrophobicContact CB-CG2 3.88Å; K557-V600 HydrophobicContact CG-CG2 4.16Å; Y596-V600 HydrophobicContact CD1-CG1 4.37Å; Y596-V600 HydrophobicContact CG-CG1 4.47Å; Y596-V600 WeakPolarHBondContact O-CG2 3.44Å; G597-V600 PolarHBondContact O-N 3.1Å; E598-V600 VanDerWaalsContact C-N 3.33Å; E598-V600 PolarHBondContact O-N 3.4Å; V600-R602 VanDerWaalsContact C-N 3.34Å; V600-R602 PolarHBondContact O-N 3.28Å; V600-S603 PolarHBondContact O-N 3.36Å; V600-M604 WeakPolarHBondContact O-CB 3.42Å; V600-M604 PolarHBondContact O-N 2.96Å |
| 601 | V | 91.5 | Very high | 88.2 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 177 | -177.1 | 0 | 0 | 0 | 0 | 111 | C592 G597 E598 G605 | C592-V601 HydrophobicContact CB-CB 4.23Å; C592-V601 HydrophobicContact CB-CG1 4.02Å; C592-V601 HydrophobicContact CB-CG2 3.9Å; G597-V601 PolarHBondContact O-N 3.37Å; E598-V601 PolarHBondContact O-N 2.97Å; V601-G605 PolarHBondContact O-N 3.17Å |
| 602 | R | 90.9 | Very high | 87.9 | Confident | 137 Ų | 137 | 53 Ų | 53 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -50.2 | 177.5 | -172 | -177.8 | -55.7 | 140.7 | 10.4 | 111.7 | E598 V600 M604 G605 E606 | E598-R602 VanDerWaalsContact O-CB 3.26Å; E598-R602 WeakPolarHBondContact O-CB 3.21Å; E598-R602 PolarHBondContact O-N 2.92Å; E598-R602 IonicContact OE2-NH2 2.72Å; E598-R602 PolarHBondContact OE2-NH2 2.87Å; V600-R602 VanDerWaalsContact C-N 3.34Å; V600-R602 PolarHBondContact O-N 3.28Å; R602-M604 VanDerWaalsContact C-N 3.29Å; R602-M604 PolarHBondContact O-N 3.01Å; R602-G605 PolarHBondContact O-N 3.4Å; R602-E606 WeakPolarHBondContact O-CG 3.37Å; R602-E606 PolarHBondContact O-N 3.01Å |
| 603 | S | 91.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | -179.2 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | F561 P563 V599 V600 I607 | F561-S603 WeakPolarHBondContact O-CB 3.31Å; F561-S603 PolarHBondContact O-OG 2.81Å; P563-S603 WeakPolarHBondContact CG-O 3.41Å; V599-S603 WeakPolarHBondContact O-CB 3.41Å; V599-S603 PolarHBondContact O-N 3.15Å; V599-S603 PolarHBondContact O-OG 2.97Å; V600-S603 PolarHBondContact O-N 3.36Å; S603-I607 WeakPolarHBondContact O-CD1 3.03Å; S603-I607 WeakPolarHBondContact O-CG1 3.12Å |
| 604 | M | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.2 | -43 | 174.1 | -166.3 | 167.5 | 81.1 | 0 | 0 | 111.7 | L552 E553 I556 N589 C592 V600 R602 E606 I607 | L552-M604 HydrophobicContact CB-SD 4.16Å; L552-M604 HydrophobicContact CD2-CG 3.79Å; L552-M604 HydrophobicContact CD2-SD 4.1Å; L552-M604 HydrophobicContact CG-CG 4.04Å; L552-M604 HydrophobicContact CG-SD 4Å; E553-M604 HydrophobicContact CB-CE 4.42Å; E553-M604 HydrophobicContact CB-SD 3.8Å; I556-M604 HydrophobicContact CD1-CB 3.65Å; I556-M604 HydrophobicContact CD1-CG 3.89Å; N589-M604 HydrophobicContact CB-CG 4.02Å; N589-M604 VanDerWaalsContact O-CE 3.29Å; N589-M604 WeakPolarHBondContact O-CE 3.42Å; C592-M604 HydrophobicContact CB-CE 3.56Å; V600-M604 WeakPolarHBondContact O-CB 3.42Å; V600-M604 PolarHBondContact O-N 2.96Å; R602-M604 VanDerWaalsContact C-N 3.29Å; R602-M604 PolarHBondContact O-N 3.01Å; M604-E606 PolarHBondContact O-N 3.45Å; M604-I607 PolarHBondContact O-N 3.45Å |
| 605 | G | 88.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -24.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V601 R602 | V601-G605 PolarHBondContact O-N 3.17Å; R602-G605 PolarHBondContact O-N 3.4Å |
| 606 | E | 87.3 | Confident | 88.6 | Confident | 94 Ų | 94 | 44.3 Ų | 44.3 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.7 | 173 | -74.4 | 173.7 | -161.4 | 0 | 0 | 113.5 | P563 R602 M604 | P563-E606 HydrophobicContact CG-CB 4.06Å; R602-E606 WeakPolarHBondContact O-CG 3.37Å; R602-E606 PolarHBondContact O-N 3.01Å; M604-E606 PolarHBondContact O-N 3.45Å |
| 607 | I | 87.1 | Confident | 88.9 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -86.3 | 115.3 | 177.9 | -66.7 | 164.6 | 0 | 0 | 0 | 110.3 | I556 F561 P563 N589 S603 M604 E609 P613 | I556-I607 HydrophobicContact CD1-CD1 3.79Å; I556-I607 HydrophobicContact CG1-CD1 4.33Å; F561-I607 HydrophobicContact CD1-CD1 4.13Å; F561-I607 HydrophobicContact CE1-CD1 4.04Å; P563-I607 HydrophobicContact CG-CD1 4.28Å; P563-I607 HydrophobicContact CG-CG1 3.9Å; N589-I607 PolarHBondContact ND2-O 2.93Å; S603-I607 WeakPolarHBondContact O-CD1 3.03Å; S603-I607 WeakPolarHBondContact O-CG1 3.12Å; M604-I607 PolarHBondContact O-N 3.45Å; I607-E609 PolarHBondContact O-N 2.93Å; I607-P613 HydrophobicContact CG1-CG 4.24Å |
| 608 | T | 82.8 | Confident | 89 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | trans | -63.7 | 124.3 | 171.7 | 25.8 | 0 | 0 | 0 | 0 | 111.9 | R574 K610 E611 | R574-T608 VanDerWaalsContact CZ-CG2 3.46Å; R574-T608 PolarHBondContact NH1-OG1 2.85Å; R574-T608 PolarHBondContact NH2-OG1 2.75Å; T608-K610 PolarHBondContact O-N 3.37Å; T608-E611 CarbonylContact O-C 3.29Å; T608-E611 PolarHBondContact O-N 3.24Å | ||
| 609 | E | 83.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -27 | -176.3 | -88.7 | -168.1 | 122 | 0 | 0 | 116.2 | N587 C588 N589 I607 W732 R761 | N587-E609 WeakPolarHBondContact OD1-CG 3.17Å; C588-E609 VanDerWaalsContact CB-OE1 3.27Å; C588-E609 WeakPolarHBondContact CB-OE1 3.42Å; C588-E609 PolarHBondContact N-OE1 3.05Å; N589-E609 HydrophobicContact CB-CG 4.26Å; I607-E609 PolarHBondContact O-N 2.93Å; E609-W732 HydrophobicContact CB-CZ2 3.95Å; E609-W732 HydrophobicContact CG-CZ2 4.3Å; E609-W732 WeakPolarHBondContact O-CH2 3.41Å; E609-W732 WeakPolarHBondContact O-CZ2 3.17Å; E609-R761 IonicContact OE1-CZ 3.31Å; E609-R761 VanDerWaalsContact OE1-CZ 3.25Å; E609-R761 IonicContact OE1-NE 3.08Å; E609-R761 PolarHBondContact OE1-NE 3.49Å; E609-R761 IonicContact OE1-NH2 2.99Å; E609-R761 PolarHBondContact OE1-NH2 3.28Å; E609-R761 IonicContact OE2-CZ 3.94Å; E609-R761 IonicContact OE2-NE 3.14Å; E609-R761 IonicContact OE2-NH2 2.71Å; E609-R761 PolarHBondContact OE2-NH2 2.95Å |
| 610 | K | 76.6 | Confident | 89.5 | Confident | 19 Ų | 19 | 31 Ų | 31 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 5.6 | -175.9 | -53.6 | -174.8 | -168.7 | -175.2 | 0 | 114.3 | S177 G179 P180 T608 | S177-K610 VanDerWaalsContact C-NZ 3.3Å; S177-K610 PolarHBondContact O-NZ 3.21Å; S177-K610 PolarHBondContact OG-NZ 3.14Å; G179-K610 WeakPolarHBondContact O-CD 3.24Å; G179-K610 PolarHBondContact O-NZ 2.76Å; P180-K610 HydrophobicContact CB-CB 4.37Å; T608-K610 PolarHBondContact O-N 3.37Å |
| 611 | E | 79.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 30.5 Ų | 30.5 | 23% | 0.234 | 16% | 0.157 | C | C | . | . | trans | -134.1 | 97.1 | 176.1 | -74.1 | -177.3 | -156.1 | 0 | 0 | 109.9 | H182 K570 R574 T608 | H182-E611 IonicContact CE1-OE1 3.34Å; H182-E611 IonicContact ND1-OE1 2.67Å; H182-E611 PolarHBondContact ND1-OE1 3.14Å; K570-E611 IonicContact NZ-OE2 2.78Å; K570-E611 PolarHBondContact NZ-OE2 3.42Å; K570-E611 VanDerWaalsContact NZ-OE2 3.13Å; R574-E611 IonicContact CZ-OE2 2.67Å; R574-E611 IonicContact NH2-OE1 3.55Å; R574-E611 PolarHBondContact NH2-OE1 2.94Å; R574-E611 IonicContact NH2-OE2 3.14Å; R574-E611 PolarHBondContact NH2-OE2 3.5Å; T608-E611 CarbonylContact O-C 3.29Å; T608-E611 PolarHBondContact O-N 3.24Å | ||
| 612 | V | 83.9 | Confident | 89.8 | Confident | 24 Ų | 24 | 30.5 Ų | 30.5 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | trans | -74.1 | 126.9 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | V617 F711 L756 | V612-V617 HydrophobicContact CG1-CG2 4.11Å; V612-F711 HydrophobicContact CB-CD1 3.88Å; V612-F711 HydrophobicContact CB-CE1 3.62Å; V612-F711 HydrophobicContact CB-CE2 4.49Å; V612-F711 HydrophobicContact CB-CG 4.44Å; V612-F711 HydrophobicContact CB-CZ 3.95Å; V612-F711 HydrophobicContact CG1-CD1 4.48Å; V612-F711 HydrophobicContact CG1-CE1 4Å; V612-F711 HydrophobicContact CG1-CE2 4.07Å; V612-F711 HydrophobicContact CG1-CZ 3.77Å; V612-F711 HydrophobicContact CG2-CD1 3.83Å; V612-F711 HydrophobicContact CG2-CE1 4.11Å; V612-F711 HydrophobicContact CG2-CG 4.06Å; V612-L756 HydrophobicContact CG1-CD1 3.63Å; V612-L756 HydrophobicContact CG2-CB 4.12Å; V612-L756 HydrophobicContact CG2-CD1 4.32Å | ||
| 613 | P | 89.1 | Confident | 90 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 16% | 0.156 | 15% | 0.147 | C | C | . | . | trans | -63.3 | 135.3 | 172.3 | -20.9 | 33 | 0 | 0 | 0 | 111.9 | F561 I607 E615 L616 | F561-P613 HydrophobicContact CE1-CB 4.44Å; F561-P613 HydrophobicContact CE1-CG 4.25Å; F561-P613 HydrophobicContact CZ-CB 3.99Å; F561-P613 HydrophobicContact CZ-CG 4.3Å; I607-P613 HydrophobicContact CG1-CG 4.24Å; P613-E615 WeakPolarHBondContact CB-OE2 3.4Å; P613-E615 PolarHBondContact O-N 2.7Å; P613-L616 HydrophobicContact CB-CB 4.36Å; P613-L616 WeakPolarHBondContact O-CB 3.48Å; P613-L616 PolarHBondContact O-N 2.94Å | ||
| 614 | F | 92.7 | Very high | 90.2 | Very high | 43 Ų | 43 | 27.7 Ų | 27.7 | 19% | 0.189 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.8 | -24.1 | 177.1 | -69.6 | -4.3 | 0 | 0 | 0 | 111.9 | L616 V617 G618 I642 L645 L646 Y649 | F614-L616 VanDerWaalsContact C-N 3.29Å; F614-L616 PolarHBondContact O-N 3Å; F614-V617 WeakPolarHBondContact O-CB 3.46Å; F614-V617 PolarHBondContact O-N 2.71Å; F614-V617 VanDerWaalsContact O-N 3.15Å; F614-G618 PolarHBondContact O-N 2.99Å; F614-I642 HydrophobicContact CE1-CG2 4.19Å; F614-I642 HydrophobicContact CZ-CG2 4.32Å; F614-L645 HydrophobicContact CE2-CB 3.83Å; F614-L645 HydrophobicContact CZ-CB 3.91Å; F614-L646 HydrophobicContact CB-CD1 4.17Å; F614-L646 HydrophobicContact CD1-CD1 3.98Å; F614-L646 HydrophobicContact CD2-CD1 4.12Å; F614-L646 HydrophobicContact CE1-CB 4.32Å; F614-L646 HydrophobicContact CE1-CD1 4.38Å; F614-L646 HydrophobicContact CE2-CB 4.24Å; F614-L646 HydrophobicContact CG-CD1 3.84Å; F614-L646 HydrophobicContact CZ-CB 4.05Å; F614-Y649 HydrophobicContact CB-CD1 3.97Å; F614-Y649 HydrophobicContact CB-CD2 4.29Å; F614-Y649 HydrophobicContact CB-CE1 3.94Å; F614-Y649 HydrophobicContact CB-CE2 4.26Å; F614-Y649 HydrophobicContact CB-CG 4.15Å; F614-Y649 HydrophobicContact CD2-CD1 4.42Å; F614-Y649 HydrophobicContact CD2-CD2 4.37Å; F614-Y649 HydrophobicContact CD2-CG 4.01Å |
| 615 | E | 92.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 29.3 Ų | 29.3 | 39% | 0.388 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.4 | -35.4 | 172.9 | -58.5 | 75.2 | -166.6 | 0 | 0 | 111.5 | F561 P564 P613 G618 A619 | F561-E615 HydrophobicContact CE2-CB 3.84Å; F561-E615 HydrophobicContact CZ-CB 4.13Å; P564-E615 HydrophobicContact CG-CG 4.32Å; P613-E615 WeakPolarHBondContact CB-OE2 3.4Å; P613-E615 PolarHBondContact O-N 2.7Å; E615-G618 PolarHBondContact O-N 2.87Å; E615-A619 WeakPolarHBondContact O-CB 3.28Å; E615-A619 PolarHBondContact O-N 3.38Å |
| 616 | L | 95 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 173.4 | 177 | 60.5 | 0 | 0 | 0 | 110.9 | L552 V559 F561 P613 F614 A619 L620 | L552-L616 HydrophobicContact CD1-CD2 3.89Å; V559-L616 HydrophobicContact CG2-CD1 4.28Å; F561-L616 HydrophobicContact CB-CD1 3.95Å; F561-L616 HydrophobicContact CD1-CB 4.35Å; F561-L616 HydrophobicContact CD1-CD1 4.11Å; F561-L616 HydrophobicContact CD2-CB 4.19Å; F561-L616 HydrophobicContact CD2-CD1 4.09Å; F561-L616 HydrophobicContact CE1-CB 4.08Å; F561-L616 HydrophobicContact CE2-CB 3.93Å; F561-L616 HydrophobicContact CG-CB 4.4Å; F561-L616 HydrophobicContact CG-CD1 3.78Å; F561-L616 HydrophobicContact CZ-CB 3.87Å; P613-L616 HydrophobicContact CB-CB 4.36Å; P613-L616 WeakPolarHBondContact O-CB 3.48Å; P613-L616 PolarHBondContact O-N 2.94Å; F614-L616 VanDerWaalsContact C-N 3.29Å; F614-L616 PolarHBondContact O-N 3Å; L616-A619 PolarHBondContact O-N 3.05Å; L616-L620 HydrophobicContact CD1-CD1 4.28Å; L616-L620 HydrophobicContact CD1-CG 4.35Å; L616-L620 HydrophobicContact CG-CD1 4.18Å; L616-L620 WeakPolarHBondContact O-CB 3.41Å; L616-L620 VanDerWaalsContact O-CG 3.31Å; L616-L620 WeakPolarHBondContact O-CG 3.17Å; L616-L620 PolarHBondContact O-N 2.96Å |
| 617 | V | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | V612 F614 L620 L621 I635 L646 I709 F711 | V612-V617 HydrophobicContact CG1-CG2 4.11Å; F614-V617 WeakPolarHBondContact O-CB 3.46Å; F614-V617 PolarHBondContact O-N 2.71Å; F614-V617 VanDerWaalsContact O-N 3.15Å; V617-L620 PolarHBondContact O-N 3.35Å; V617-L621 HydrophobicContact CG1-CD1 4.26Å; V617-L621 WeakPolarHBondContact O-CB 3.43Å; V617-L621 VanDerWaalsContact O-CG 3.3Å; V617-L621 WeakPolarHBondContact O-CG 3.44Å; V617-L621 PolarHBondContact O-N 3.31Å; V617-I635 HydrophobicContact CG1-CD1 3.88Å; V617-L646 HydrophobicContact CB-CD1 4.45Å; V617-L646 HydrophobicContact CG1-CD1 4.33Å; V617-L646 HydrophobicContact CG1-CD2 4.28Å; V617-I709 HydrophobicContact CG1-CD1 4.43Å; V617-F711 HydrophobicContact CG2-CE2 3.75Å; V617-F711 HydrophobicContact CG2-CZ 3.8Å |
| 618 | G | 94.7 | Very high | 91 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F614 E615 L620 L621 D622 Y656 | F614-G618 PolarHBondContact O-N 2.99Å; E615-G618 PolarHBondContact O-N 2.87Å; G618-L620 VanDerWaalsContact C-N 3.33Å; G618-L620 PolarHBondContact O-N 2.94Å; G618-L621 PolarHBondContact O-N 2.94Å; G618-L621 VanDerWaalsContact O-N 3.13Å; G618-D622 PolarHBondContact O-N 3.2Å; G618-Y656 PolarHBondContact O-OH 3.27Å; G618-Y656 VanDerWaalsContact O-OH 3.12Å |
| 619 | A | 95.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 24% | 0.24 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V559 E615 L616 D622 K623 | V559-A619 HydrophobicContact CB-CB 4.21Å; V559-A619 HydrophobicContact CG2-CB 3.82Å; E615-A619 WeakPolarHBondContact O-CB 3.28Å; E615-A619 PolarHBondContact O-N 3.38Å; L616-A619 PolarHBondContact O-N 3.05Å; A619-D622 PolarHBondContact O-N 3.26Å; A619-K623 WeakPolarHBondContact O-CB 3.4Å; A619-K623 PolarHBondContact O-N 2.95Å |
| 620 | L | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 173.3 | -75.1 | 169.1 | 0 | 0 | 0 | 112.2 | C555 V559 L616 V617 G618 K623 I624 I709 F754 L756 | C555-L620 HydrophobicContact CB-CD1 4.46Å; C555-L620 HydrophobicContact CB-CD2 4.15Å; V559-L620 HydrophobicContact CG1-CD2 4.01Å; L616-L620 HydrophobicContact CD1-CD1 4.28Å; L616-L620 HydrophobicContact CD1-CG 4.35Å; L616-L620 HydrophobicContact CG-CD1 4.18Å; L616-L620 WeakPolarHBondContact O-CB 3.41Å; L616-L620 VanDerWaalsContact O-CG 3.31Å; L616-L620 WeakPolarHBondContact O-CG 3.17Å; L616-L620 PolarHBondContact O-N 2.96Å; V617-L620 PolarHBondContact O-N 3.35Å; G618-L620 VanDerWaalsContact C-N 3.33Å; G618-L620 PolarHBondContact O-N 2.94Å; L620-K623 WeakPolarHBondContact O-CB 3.49Å; L620-K623 PolarHBondContact O-N 2.94Å; L620-I624 WeakPolarHBondContact O-CB 3.48Å; L620-I624 WeakPolarHBondContact O-CD1 3.23Å; L620-I624 VanDerWaalsContact O-CG1 3.23Å; L620-I624 WeakPolarHBondContact O-CG1 3.38Å; L620-I624 PolarHBondContact O-N 3.31Å; L620-I709 HydrophobicContact CB-CD1 4.34Å; L620-F754 HydrophobicContact CD2-CD1 3.9Å; L620-F754 HydrophobicContact CD2-CE1 4.29Å; L620-F754 HydrophobicContact CD2-CG 4.41Å; L620-L756 HydrophobicContact CD1-CD2 3.72Å |
| 621 | L | 96.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 173.8 | -74.4 | 169.6 | 0 | 0 | 0 | 111.7 | V617 G618 K623 I624 I625 V633 L650 Y656 I689 I709 | V617-L621 HydrophobicContact CG1-CD1 4.26Å; V617-L621 WeakPolarHBondContact O-CB 3.43Å; V617-L621 VanDerWaalsContact O-CG 3.3Å; V617-L621 WeakPolarHBondContact O-CG 3.44Å; V617-L621 PolarHBondContact O-N 3.31Å; G618-L621 PolarHBondContact O-N 2.94Å; G618-L621 VanDerWaalsContact O-N 3.13Å; L621-K623 VanDerWaalsContact C-N 3.34Å; L621-K623 PolarHBondContact O-N 3.42Å; L621-I624 CarbonylContact O-C 3.24Å; L621-I624 PolarHBondContact O-N 3.49Å; L621-I625 WeakPolarHBondContact O-CD1 3.23Å; L621-I625 VanDerWaalsContact O-CG1 3.29Å; L621-I625 WeakPolarHBondContact O-CG1 3.27Å; L621-I625 PolarHBondContact O-N 2.9Å; L621-V633 HydrophobicContact CD2-CB 4.29Å; L621-V633 HydrophobicContact CD2-CG1 3.98Å; L621-V633 HydrophobicContact CD2-CG2 4.01Å; L621-L650 HydrophobicContact CD1-CD1 4.16Å; L621-L650 HydrophobicContact CD1-CD2 3.63Å; L621-Y656 HydrophobicContact CB-CE1 3.73Å; L621-Y656 VanDerWaalsContact CB-OH 3.3Å; L621-Y656 WeakPolarHBondContact CB-OH 3.5Å; L621-Y656 HydrophobicContact CD1-CE1 4.24Å; L621-I689 HydrophobicContact CD1-CD1 4.3Å; L621-I689 HydrophobicContact CD2-CD1 4.11Å; L621-I709 HydrophobicContact CD2-CD1 4.33Å; L621-I709 HydrophobicContact CG-CD1 4.45Å |
| 622 | D | 95 | Very high | 93.4 | Very high | 49 Ų | 49 | 38 Ų | 38 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.7 | -35.2 | 174.7 | -81.8 | -59.3 | 0 | 0 | 0 | 112.2 | G618 A619 I625 G626 R655 Y656 | G618-D622 PolarHBondContact O-N 3.2Å; A619-D622 PolarHBondContact O-N 3.26Å; D622-I625 PolarHBondContact O-N 3.2Å; D622-G626 PolarHBondContact O-N 3.2Å; D622-R655 VanDerWaalsContact OD1-CD 3.25Å; D622-R655 WeakPolarHBondContact OD1-CD 3.2Å; D622-R655 IonicContact OD1-CZ 3.48Å; D622-R655 IonicContact OD1-NE 2.76Å; D622-R655 IonicContact OD1-NH1 3.94Å; D622-R655 PolarHBondContact OD1-NH1 3.43Å; D622-Y656 PolarHBondContact N-OH 3.17Å; D622-Y656 VanDerWaalsContact N-OH 3.09Å; D622-Y656 PolarHBondContact OD1-OH 2.97Å; D622-Y656 PolarHBondContact OD2-OH 3.35Å |
| 623 | K | 95.5 | Very high | 94 | Very high | 80 Ų | 80 | 36.8 Ų | 36.8 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 170.4 | -176.1 | 70.4 | 179.3 | -148.1 | 0 | 112 | M558 V559 A619 L620 L621 I625 G626 M627 | M558-K623 HydrophobicContact CG-CD 4.11Å; M558-K623 VanDerWaalsContact CG-CE 3.44Å; M558-K623 HydrophobicContact CG-CG 4.13Å; M558-K623 PolarHBondContact O-NZ 3.17Å; M558-K623 HydrophobicContact SD-CD 4.42Å; M558-K623 HydrophobicContact SD-CG 3.89Å; V559-K623 HydrophobicContact CG1-CB 3.77Å; V559-K623 HydrophobicContact CG1-CD 4.41Å; V559-K623 HydrophobicContact CG1-CG 4.05Å; A619-K623 WeakPolarHBondContact O-CB 3.4Å; A619-K623 PolarHBondContact O-N 2.95Å; L620-K623 WeakPolarHBondContact O-CB 3.49Å; L620-K623 PolarHBondContact O-N 2.94Å; L621-K623 VanDerWaalsContact C-N 3.34Å; L621-K623 PolarHBondContact O-N 3.42Å; K623-I625 PolarHBondContact O-N 3.49Å; K623-G626 CarbonylContact O-C 3.58Å; K623-G626 PolarHBondContact O-N 3.01Å; K623-G626 VanDerWaalsContact O-N 3.08Å; K623-M627 WeakPolarHBondContact O-CG 3.48Å; K623-M627 PolarHBondContact O-N 3.07Å |
| 624 | I | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -24.5 | 175.7 | -72.4 | 159.8 | 0 | 0 | 0 | 111.9 | L620 L621 V633 R687 F707 I709 F754 | L620-I624 WeakPolarHBondContact O-CB 3.48Å; L620-I624 WeakPolarHBondContact O-CD1 3.23Å; L620-I624 VanDerWaalsContact O-CG1 3.23Å; L620-I624 WeakPolarHBondContact O-CG1 3.38Å; L620-I624 PolarHBondContact O-N 3.31Å; L621-I624 CarbonylContact O-C 3.24Å; L621-I624 PolarHBondContact O-N 3.49Å; I624-V633 HydrophobicContact CG2-CG2 4.02Å; I624-R687 PolarHBondContact O-NH1 3.05Å; I624-R687 PolarHBondContact O-NH2 3.38Å; I624-F707 HydrophobicContact CB-CD1 4.33Å; I624-F707 HydrophobicContact CB-CE1 4.44Å; I624-F707 HydrophobicContact CD1-CB 4.16Å; I624-F707 HydrophobicContact CD1-CD1 4.29Å; I624-F707 HydrophobicContact CD1-CG 4.34Å; I624-F707 HydrophobicContact CG1-CD1 3.79Å; I624-F707 HydrophobicContact CG1-CE1 4.23Å; I624-F707 HydrophobicContact CG1-CG 4.23Å; I624-F707 HydrophobicContact CG2-CB 4.39Å; I624-F707 HydrophobicContact CG2-CD1 3.72Å; I624-F707 HydrophobicContact CG2-CD2 3.64Å; I624-F707 HydrophobicContact CG2-CE1 3.8Å; I624-F707 HydrophobicContact CG2-CE2 3.74Å; I624-F707 HydrophobicContact CG2-CG 3.64Å; I624-F707 HydrophobicContact CG2-CZ 3.8Å; I624-I709 HydrophobicContact CD1-CD1 3.98Å; I624-I709 HydrophobicContact CD1-CG1 4.31Å; I624-F754 HydrophobicContact CD1-CD2 4.14Å; I624-F754 HydrophobicContact CD1-CE2 3.66Å; I624-F754 HydrophobicContact CD1-CZ 4.29Å; I624-F754 HydrophobicContact CG1-CE2 3.88Å; I624-F754 HydrophobicContact CG1-CZ 4.08Å |
| 625 | I | 91.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 33.7 Ų | 33.7 | 18% | 0.179 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.3 | -51.2 | 167.7 | -67.9 | 158.7 | 0 | 0 | 0 | 110.1 | L621 D622 K623 M627 N628 Y656 Y661 | L621-I625 WeakPolarHBondContact O-CD1 3.23Å; L621-I625 VanDerWaalsContact O-CG1 3.29Å; L621-I625 WeakPolarHBondContact O-CG1 3.27Å; L621-I625 PolarHBondContact O-N 2.9Å; D622-I625 PolarHBondContact O-N 3.2Å; K623-I625 PolarHBondContact O-N 3.49Å; I625-M627 PolarHBondContact O-N 3.4Å; I625-M627 VanDerWaalsContact O-N 3.11Å; I625-N628 PolarHBondContact O-N 3.38Å; I625-N628 PolarHBondContact O-OD1 3.09Å; I625-Y656 HydrophobicContact CD1-CE1 3.74Å; I625-Y661 HydrophobicContact CD1-CE1 4.11Å; I625-Y661 WeakPolarHBondContact CD1-OH 3.33Å |
| 626 | G | 93 | Very high | 94.9 | Very high | 57 Ų | 57 | 29.8 Ų | 29.8 | 59% | 0.588 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -60.8 | -19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | D622 K623 N628 | D622-G626 PolarHBondContact O-N 3.2Å; K623-G626 CarbonylContact O-C 3.58Å; K623-G626 PolarHBondContact O-N 3.01Å; K623-G626 VanDerWaalsContact O-N 3.08Å; G626-N628 VanDerWaalsContact C-N 3.26Å; G626-N628 PolarHBondContact O-N 3.14Å |
| 627 | M | 93.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 30 Ų | 30 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.4 | 171.1 | -71.9 | 168.6 | 107 | 0 | 0 | 113.8 | K623 I625 I629 F707 F752 | K623-M627 WeakPolarHBondContact O-CG 3.48Å; K623-M627 PolarHBondContact O-N 3.07Å; I625-M627 PolarHBondContact O-N 3.4Å; I625-M627 VanDerWaalsContact O-N 3.11Å; M627-I629 PolarHBondContact O-N 2.99Å; M627-F707 HydrophobicContact SD-CE1 4.3Å; M627-F752 HydrophobicContact CE-CD1 4.01Å; M627-F752 HydrophobicContact CE-CE1 3.74Å; M627-F752 HydrophobicContact CE-CE2 4.27Å; M627-F752 HydrophobicContact CE-CG 4.39Å; M627-F752 HydrophobicContact CE-CZ 3.89Å |
| 628 | N | 91.9 | Very high | 94.6 | Very high | 145 Ų | 145 | 30.7 Ų | 30.7 | 78% | 0.775 | 19% | 0.186 | S | C | * | . | trans | 55.4 | 9.5 | -178.2 | -70.4 | -31.3 | 0 | 0 | 0 | 116.6 | I625 G626 | I625-N628 PolarHBondContact O-N 3.38Å; I625-N628 PolarHBondContact O-OD1 3.09Å; G626-N628 VanDerWaalsContact C-N 3.26Å; G626-N628 PolarHBondContact O-N 3.14Å | ||
| 629 | I | 93.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 31 Ų | 31 | 34% | 0.338 | 19% | 0.188 | S | C | . | . | trans | -82.4 | 120.4 | 177.7 | -67.6 | 166.4 | 0 | 0 | 0 | 109.8 | M627 R687 V706 F707 F752 | M627-I629 PolarHBondContact O-N 2.99Å; I629-R687 PolarHBondContact O-NH2 3.44Å; I629-V706 HydrophobicContact CG2-CG1 4.06Å; I629-F707 HydrophobicContact CB-CZ 4.01Å; I629-F707 HydrophobicContact CG2-CZ 4.01Å; I629-F752 HydrophobicContact CD1-CE2 3.71Å; I629-F752 HydrophobicContact CD1-CZ 3.82Å | ||
| 630 | P | 91.4 | Very high | 93.5 | Very high | 87 Ų | 87 | 33.9 Ų | 33.9 | 57% | 0.565 | 19% | 0.193 | S | C | * | . | trans | -74.3 | 139.1 | -178 | 29.6 | -34.8 | 0 | 0 | 0 | 112.3 | R749 | P630-R749 PolarHBondContact O-NH1 2.82Å; P630-R749 PolarHBondContact O-NH2 2.86Å | ||
| 631 | G | 92.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | trans | 159.5 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | R687 | G631-R687 PolarHBondContact O-NE 3.48Å; G631-R687 VanDerWaalsContact O-NE 3.08Å | ||
| 632 | A | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 154.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K688 D704 V705 V706 F707 | A632-K688 WeakPolarHBondContact CA-O 3.48Å; A632-K688 HydrophobicContact CB-CB 3.92Å; A632-D704 HydrophobicContact CB-CB 4.46Å; A632-D704 PolarHBondContact N-O 3.21Å; A632-V705 HydrophobicContact CB-CG2 4.32Å; A632-V706 PolarHBondContact O-N 3.34Å; A632-F707 PolarHBondContact O-N 3.37Å |
| 633 | V | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.5 | 174.9 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | L621 I624 I635 K688 I689 V690 F707 I709 | L621-V633 HydrophobicContact CD2-CB 4.29Å; L621-V633 HydrophobicContact CD2-CG1 3.98Å; L621-V633 HydrophobicContact CD2-CG2 4.01Å; I624-V633 HydrophobicContact CG2-CG2 4.02Å; V633-I635 HydrophobicContact CG1-CD1 4.5Å; V633-I635 HydrophobicContact CG1-CG1 4.04Å; V633-K688 PolarHBondContact N-O 3.09Å; V633-I689 HydrophobicContact CB-CG1 4.47Å; V633-I689 CarbonylContact O-C 3.56Å; V633-I689 WeakPolarHBondContact O-CA 3.32Å; V633-V690 PolarHBondContact O-N 3.18Å; V633-F707 CarbonylContact C-O 3.55Å; V633-F707 WeakPolarHBondContact CA-O 3.3Å; V633-F707 HydrophobicContact CB-CB 4.43Å; V633-F707 HydrophobicContact CG1-CB 4.17Å; V633-F707 HydrophobicContact CG2-CB 4.16Å; V633-F707 HydrophobicContact CG2-CD2 4.16Å; V633-F707 HydrophobicContact CG2-CG 4.47Å; V633-I709 HydrophobicContact CG1-CD1 3.98Å; V633-I709 HydrophobicContact CG1-CG1 4.17Å |
| 634 | L | 97.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.3 | 173.6 | 176 | 61.5 | 0 | 0 | 0 | 109.4 | F636 V690 A692 A696 I702 V705 F707 V708 I709 R744 | L634-F636 HydrophobicContact CD2-CD2 4.5Å; L634-F636 HydrophobicContact CD2-CE2 3.58Å; L634-F636 HydrophobicContact CD2-CZ 3.76Å; L634-F636 HydrophobicContact CG-CD2 4.32Å; L634-F636 HydrophobicContact CG-CE2 3.86Å; L634-F636 HydrophobicContact CG-CZ 4.27Å; L634-V690 HydrophobicContact CD1-CB 3.82Å; L634-V690 HydrophobicContact CD1-CG1 3.78Å; L634-A692 HydrophobicContact CD1-CB 3.72Å; L634-A696 HydrophobicContact CD1-CB 4.43Å; L634-I702 HydrophobicContact CD1-CD1 4.48Å; L634-V705 HydrophobicContact CB-CG1 3.98Å; L634-V705 HydrophobicContact CB-CG2 4.06Å; L634-F707 PolarHBondContact N-O 3.03Å; L634-V708 HydrophobicContact CB-CG2 4.4Å; L634-V708 CarbonylContact O-C 3.52Å; L634-V708 VanDerWaalsContact O-CA 3.3Å; L634-V708 WeakPolarHBondContact O-CA 3.4Å; L634-I709 PolarHBondContact O-N 3.32Å; L634-R744 HydrophobicContact CD2-CB 3.71Å; L634-R744 HydrophobicContact CD2-CG 4.14Å |
| 635 | I | 97.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115.1 | -178.1 | -47.7 | -169 | 0 | 0 | 0 | 109.3 | V617 V633 L637 L646 I689 V690 L691 A692 I709 F711 | V617-I635 HydrophobicContact CG1-CD1 3.88Å; V633-I635 HydrophobicContact CG1-CD1 4.5Å; V633-I635 HydrophobicContact CG1-CG1 4.04Å; I635-L637 HydrophobicContact CG2-CD1 4.39Å; I635-L637 HydrophobicContact CG2-CD2 3.82Å; I635-L637 HydrophobicContact CG2-CG 4.01Å; I635-L646 HydrophobicContact CD1-CD2 4.35Å; I635-L646 HydrophobicContact CG2-CD2 4.26Å; I635-I689 HydrophobicContact CD1-CG2 4.07Å; I635-I689 HydrophobicContact CG1-CG2 4.41Å; I635-V690 PolarHBondContact N-O 2.9Å; I635-L691 HydrophobicContact CB-CD2 3.88Å; I635-L691 HydrophobicContact CD1-CD2 3.74Å; I635-L691 HydrophobicContact CG1-CD2 3.96Å; I635-A692 PolarHBondContact O-N 3.44Å; I635-I709 CarbonylContact C-O 3.49Å; I635-I709 VanDerWaalsContact CA-O 3.26Å; I635-I709 WeakPolarHBondContact CA-O 3.12Å; I635-I709 HydrophobicContact CD1-CD1 4.17Å; I635-I709 HydrophobicContact CG1-CB 4.22Å; I635-I709 HydrophobicContact CG1-CD1 4.35Å; I635-I709 HydrophobicContact CG2-CB 4.19Å; I635-I709 HydrophobicContact CG2-CG2 4.29Å; I635-F711 HydrophobicContact CG2-CD2 4.39Å; I635-F711 HydrophobicContact CG2-CE2 4.07Å |
| 636 | F | 97.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 124.8 | 176 | -78.4 | -79.9 | 0 | 0 | 0 | 111.3 | L634 A692 T693 A696 E697 V708 I709 D710 F711 R741 R744 | L634-F636 HydrophobicContact CD2-CD2 4.5Å; L634-F636 HydrophobicContact CD2-CE2 3.58Å; L634-F636 HydrophobicContact CD2-CZ 3.76Å; L634-F636 HydrophobicContact CG-CD2 4.32Å; L634-F636 HydrophobicContact CG-CE2 3.86Å; L634-F636 HydrophobicContact CG-CZ 4.27Å; F636-A692 WeakPolarHBondContact CA-O 3.34Å; F636-T693 WeakPolarHBondContact CE1-O 3.47Å; F636-A696 HydrophobicContact CE1-CB 3.9Å; F636-A696 HydrophobicContact CZ-CB 4.07Å; F636-E697 HydrophobicContact CE1-CB 4.04Å; F636-E697 HydrophobicContact CZ-CB 4.5Å; F636-V708 HydrophobicContact CD2-CG1 3.92Å; F636-V708 HydrophobicContact CE2-CG1 4.14Å; F636-I709 PolarHBondContact N-O 2.95Å; F636-D710 HydrophobicContact CB-CB 4.47Å; F636-F711 WeakPolarHBondContact O-CB 3.28Å; F636-F711 PolarHBondContact O-N 3.27Å; F636-F711 VanDerWaalsContact O-N 3.14Å; F636-R741 HydrophobicContact CD1-CG 3.93Å; F636-R741 HydrophobicContact CD2-CB 3.74Å; F636-R741 HydrophobicContact CD2-CG 3.65Å; F636-R741 HydrophobicContact CE1-CG 3.93Å; F636-R741 HydrophobicContact CE2-CB 3.64Å; F636-R741 HydrophobicContact CE2-CG 3.65Å; F636-R741 HydrophobicContact CG-CB 4.37Å; F636-R741 HydrophobicContact CG-CG 3.79Å; F636-R741 HydrophobicContact CZ-CB 4.2Å; F636-R741 HydrophobicContact CZ-CG 3.79Å; F636-R744 HydrophobicContact CE2-CG 4.27Å; F636-R744 HydrophobicContact CZ-CG 4.06Å |
| 637 | L | 94.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -133.6 | 149.6 | -170.7 | -60.1 | 172.3 | 0 | 0 | 0 | 110.1 | I635 G639 I642 I643 L646 L691 A692 T693 F711 | I635-L637 HydrophobicContact CG2-CD1 4.39Å; I635-L637 HydrophobicContact CG2-CD2 3.82Å; I635-L637 HydrophobicContact CG2-CG 4.01Å; L637-G639 VanDerWaalsContact C-N 3.29Å; L637-G639 PolarHBondContact O-N 3.38Å; L637-I642 HydrophobicContact CD2-CG2 4.01Å; L637-I643 HydrophobicContact CB-CG1 4.03Å; L637-I643 HydrophobicContact CD1-CB 4.37Å; L637-I643 HydrophobicContact CD1-CG1 3.66Å; L637-I643 HydrophobicContact CG-CG1 4.47Å; L637-L646 HydrophobicContact CD1-CD2 4Å; L637-L646 HydrophobicContact CD2-CD2 4.19Å; L637-L691 HydrophobicContact CD1-CB 4.09Å; L637-L691 HydrophobicContact CD1-CD2 4.49Å; L637-A692 PolarHBondContact N-O 2.8Å; L637-T693 WeakPolarHBondContact O-CA 3.35Å; L637-F711 HydrophobicContact CD2-CD1 3.74Å; L637-F711 HydrophobicContact CD2-CD2 3.58Å; L637-F711 HydrophobicContact CD2-CE1 3.56Å; L637-F711 HydrophobicContact CD2-CE2 3.42Å; L637-F711 VanDerWaalsContact CD2-CE2 3.42Å; L637-F711 HydrophobicContact CD2-CG 3.76Å; L637-F711 HydrophobicContact CD2-CZ 3.41Å; L637-F711 VanDerWaalsContact CD2-CZ 3.41Å | ||
| 638 | P | 89.4 | Confident | 90.3 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.104 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -72.4 | -14.2 | -173.7 | 27.1 | -34.8 | 0 | 0 | 0 | 114.7 | I642 L713 R715 T730 | P638-I642 HydrophobicContact CG-CG1 4.03Å; P638-L713 HydrophobicContact CB-CB 4.11Å; P638-L713 HydrophobicContact CG-CB 4.4Å; P638-R715 HydrophobicContact CB-CB 4.45Å; P638-R715 WeakPolarHBondContact O-CB 3.47Å; P638-T730 HydrophobicContact CB-CG2 3.81Å; P638-T730 HydrophobicContact CG-CG2 4.34Å |
| 639 | G | 85.3 | Confident | 90.3 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 168.6 | 173.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L637 N641 I642 I643 | L637-G639 VanDerWaalsContact C-N 3.29Å; L637-G639 PolarHBondContact O-N 3.38Å; G639-N641 VanDerWaalsContact C-N 3.28Å; G639-N641 PolarHBondContact O-N 2.92Å; G639-N641 VanDerWaalsContact O-N 3.08Å; G639-I642 PolarHBondContact O-N 2.92Å; G639-I643 PolarHBondContact O-N 3.3Å; G639-I643 VanDerWaalsContact O-N 3.15Å |
| 640 | W | 80.9 | Confident | 90.4 | Very high | 90 Ų | 90 | 36.2 Ų | 36.2 | 34% | 0.341 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -46 | -40.3 | -173.6 | -174.6 | -115.3 | 0 | 0 | 0 | 116.1 | I642 I643 S644 P665 H667 I670 | W640-I642 PolarHBondContact O-N 3.26Å; W640-I643 HydrophobicContact CE3-CB 4.49Å; W640-I643 HydrophobicContact CE3-CG2 4.15Å; W640-I643 HydrophobicContact CZ3-CG2 4.16Å; W640-I643 PolarHBondContact O-N 3.37Å; W640-S644 PolarHBondContact NE1-OG 3.36Å; W640-S644 WeakPolarHBondContact O-CB 3.4Å; W640-S644 PolarHBondContact O-N 3.18Å; W640-S644 PolarHBondContact O-OG 3.01Å; W640-P665 HydrophobicContact CZ3-CB 4.03Å; W640-H667 HydrophobicContact CE3-CB 3.84Å; W640-H667 AromaticContact CE3-CG 3.96Å; W640-H667 HydrophobicContact CZ3-CB 4.22Å; W640-H667 PolarHBondContact N-NE2 2.9Å; W640-I670 HydrophobicContact CH2-CD1 4.47Å; W640-I670 HydrophobicContact CH2-CG1 4.11Å; W640-I670 HydrophobicContact CZ3-CD1 3.76Å; W640-I670 HydrophobicContact CZ3-CG1 3.67Å |
| 641 | N | 77.3 | Confident | 90.4 | Very high | 98 Ų | 98 | 36.8 Ų | 36.8 | 52% | 0.524 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.2 | -42.4 | -179.5 | -65.6 | 16.7 | 0 | 0 | 0 | 111.7 | G639 L645 | G639-N641 VanDerWaalsContact C-N 3.28Å; G639-N641 PolarHBondContact O-N 2.92Å; G639-N641 VanDerWaalsContact O-N 3.08Å; N641-L645 WeakPolarHBondContact O-CB 3.28Å; N641-L645 WeakPolarHBondContact O-CD1 3.39Å; N641-L645 WeakPolarHBondContact O-CG 3.36Å; N641-L645 PolarHBondContact O-N 3.3Å |
| 642 | I | 86.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.9 | -38.2 | 179.3 | -53.1 | -55.8 | 0 | 0 | 0 | 110.4 | F614 L637 P638 G639 W640 S644 L645 L646 F711 | F614-I642 HydrophobicContact CE1-CG2 4.19Å; F614-I642 HydrophobicContact CZ-CG2 4.32Å; L637-I642 HydrophobicContact CD2-CG2 4.01Å; P638-I642 HydrophobicContact CG-CG1 4.03Å; G639-I642 PolarHBondContact O-N 2.92Å; W640-I642 PolarHBondContact O-N 3.26Å; I642-S644 VanDerWaalsContact C-N 3.34Å; I642-S644 PolarHBondContact O-N 3.02Å; I642-L645 PolarHBondContact O-N 3.16Å; I642-L646 WeakPolarHBondContact O-CB 3.41Å; I642-L646 PolarHBondContact O-N 3.01Å; I642-F711 HydrophobicContact CG2-CE1 4.15Å |
| 643 | I | 89.5 | Confident | 89.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.1 | -51.2 | 170.8 | -71.8 | 164.9 | 0 | 0 | 0 | 110.4 | L637 G639 W640 R647 P665 H667 L691 T693 | L637-I643 HydrophobicContact CB-CG1 4.03Å; L637-I643 HydrophobicContact CD1-CB 4.37Å; L637-I643 HydrophobicContact CD1-CG1 3.66Å; L637-I643 HydrophobicContact CG-CG1 4.47Å; G639-I643 PolarHBondContact O-N 3.3Å; G639-I643 VanDerWaalsContact O-N 3.15Å; W640-I643 HydrophobicContact CE3-CB 4.49Å; W640-I643 HydrophobicContact CE3-CG2 4.15Å; W640-I643 HydrophobicContact CZ3-CG2 4.16Å; W640-I643 PolarHBondContact O-N 3.37Å; I643-R647 WeakPolarHBondContact O-CB 3.49Å; I643-R647 PolarHBondContact O-N 2.82Å; I643-P665 HydrophobicContact CG2-CB 3.55Å; I643-H667 HydrophobicContact CD1-CB 4.26Å; I643-L691 HydrophobicContact CG1-CB 4.46Å; I643-L691 HydrophobicContact CG2-CB 4.09Å; I643-T693 HydrophobicContact CD1-CG2 3.84Å |
| 644 | S | 82.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | -178.7 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | W640 I642 R647 K648 | W640-S644 PolarHBondContact NE1-OG 3.36Å; W640-S644 WeakPolarHBondContact O-CB 3.4Å; W640-S644 PolarHBondContact O-N 3.18Å; W640-S644 PolarHBondContact O-OG 3.01Å; I642-S644 VanDerWaalsContact C-N 3.34Å; I642-S644 PolarHBondContact O-N 3.02Å; S644-R647 PolarHBondContact O-N 2.89Å; S644-K648 PolarHBondContact O-N 2.61Å |
| 645 | L | 84.9 | Confident | 89.2 | Confident | 102 Ų | 102 | 54.4 Ų | 54.4 | 53% | 0.534 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 179.3 | -73.3 | 169.4 | 0 | 0 | 0 | 111.9 | F614 N641 I642 R647 K648 Y649 | F614-L645 HydrophobicContact CE2-CB 3.83Å; F614-L645 HydrophobicContact CZ-CB 3.91Å; N641-L645 WeakPolarHBondContact O-CB 3.28Å; N641-L645 WeakPolarHBondContact O-CD1 3.39Å; N641-L645 WeakPolarHBondContact O-CG 3.36Å; N641-L645 PolarHBondContact O-N 3.3Å; I642-L645 PolarHBondContact O-N 3.16Å; L645-R647 VanDerWaalsContact C-N 3.35Å; L645-K648 PolarHBondContact O-N 2.85Å; L645-Y649 WeakPolarHBondContact O-CB 3.17Å; L645-Y649 PolarHBondContact O-N 3.48Å |
| 646 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 176.3 | -175.6 | 63.1 | 0 | 0 | 0 | 111.3 | F614 V617 I635 L637 I642 Y649 L650 L691 | F614-L646 HydrophobicContact CB-CD1 4.17Å; F614-L646 HydrophobicContact CD1-CD1 3.98Å; F614-L646 HydrophobicContact CD2-CD1 4.12Å; F614-L646 HydrophobicContact CE1-CB 4.32Å; F614-L646 HydrophobicContact CE1-CD1 4.38Å; F614-L646 HydrophobicContact CE2-CB 4.24Å; F614-L646 HydrophobicContact CG-CD1 3.84Å; F614-L646 HydrophobicContact CZ-CB 4.05Å; V617-L646 HydrophobicContact CB-CD1 4.45Å; V617-L646 HydrophobicContact CG1-CD1 4.33Å; V617-L646 HydrophobicContact CG1-CD2 4.28Å; I635-L646 HydrophobicContact CD1-CD2 4.35Å; I635-L646 HydrophobicContact CG2-CD2 4.26Å; L637-L646 HydrophobicContact CD1-CD2 4Å; L637-L646 HydrophobicContact CD2-CD2 4.19Å; I642-L646 WeakPolarHBondContact O-CB 3.41Å; I642-L646 PolarHBondContact O-N 3.01Å; L646-Y649 HydrophobicContact CD1-CD1 4.01Å; L646-Y649 PolarHBondContact O-N 2.8Å; L646-L650 HydrophobicContact CD1-CD1 4.34Å; L646-L650 HydrophobicContact CD1-CG 4.19Å; L646-L650 HydrophobicContact CG-CD1 4.08Å; L646-L650 HydrophobicContact CG-CG 4.35Å; L646-L650 WeakPolarHBondContact O-CB 3.1Å; L646-L650 WeakPolarHBondContact O-CG 3.34Å; L646-L650 PolarHBondContact O-N 2.8Å; L646-L691 HydrophobicContact CD2-CD2 4.06Å |
| 647 | R | 91.9 | Very high | 88.3 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 172.4 | -164.6 | -174.8 | -171.5 | -160.2 | 4 | 111.1 | I643 S644 L645 Y649 L650 Q651 I663 L691 | I643-R647 WeakPolarHBondContact O-CB 3.49Å; I643-R647 PolarHBondContact O-N 2.82Å; S644-R647 PolarHBondContact O-N 2.89Å; L645-R647 VanDerWaalsContact C-N 3.35Å; R647-Y649 VanDerWaalsContact C-N 3.35Å; R647-Y649 PolarHBondContact O-N 3.5Å; R647-L650 PolarHBondContact O-N 3.48Å; R647-Q651 HydrophobicContact CG-CG 4.37Å; R647-Q651 VanDerWaalsContact O-CB 3.31Å; R647-Q651 WeakPolarHBondContact O-CB 3.48Å; R647-Q651 VanDerWaalsContact O-CG 3.28Å; R647-Q651 WeakPolarHBondContact O-CG 3.32Å; R647-Q651 PolarHBondContact O-N 3.11Å; R647-I663 HydrophobicContact CG-CG2 3.98Å; R647-I663 PolarHBondContact NE-O 2.94Å; R647-I663 PolarHBondContact NH2-O 2.83Å; R647-L691 HydrophobicContact CB-CD1 3.81Å; R647-L691 HydrophobicContact CG-CD1 4.3Å |
| 648 | K | 87.3 | Confident | 88.1 | Confident | 103 Ų | 103 | 58 Ų | 58 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.2 | -168.9 | 173.3 | -178.9 | 177.2 | 0 | 111.2 | S644 L645 S652 D879 | S644-K648 PolarHBondContact O-N 2.61Å; L645-K648 PolarHBondContact O-N 2.85Å; K648-S652 VanDerWaalsContact O-CB 3.3Å; K648-S652 WeakPolarHBondContact O-CB 3.48Å; K648-S652 PolarHBondContact O-N 2.84Å; K648-S652 PolarHBondContact O-OG 2.66Å; K648-D879 IonicContact NZ-OD1 2.72Å; K648-D879 PolarHBondContact NZ-OD1 3.07Å |
| 649 | Y | 92.4 | Very high | 88 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -56.7 | 174.3 | 173.6 | -98.5 | 0 | 0 | 0 | 112 | F614 L645 L646 R647 Q651 S652 H653 | F614-Y649 HydrophobicContact CB-CD1 3.97Å; F614-Y649 HydrophobicContact CB-CD2 4.29Å; F614-Y649 HydrophobicContact CB-CE1 3.94Å; F614-Y649 HydrophobicContact CB-CE2 4.26Å; F614-Y649 HydrophobicContact CB-CG 4.15Å; F614-Y649 HydrophobicContact CD2-CD1 4.42Å; F614-Y649 HydrophobicContact CD2-CD2 4.37Å; F614-Y649 HydrophobicContact CD2-CG 4.01Å; L645-Y649 WeakPolarHBondContact O-CB 3.17Å; L645-Y649 PolarHBondContact O-N 3.48Å; L646-Y649 HydrophobicContact CD1-CD1 4.01Å; L646-Y649 PolarHBondContact O-N 2.8Å; R647-Y649 VanDerWaalsContact C-N 3.35Å; R647-Y649 PolarHBondContact O-N 3.5Å; Y649-Q651 PolarHBondContact O-N 2.82Å; Y649-S652 PolarHBondContact O-N 2.89Å; Y649-S652 PolarHBondContact O-OG 3.48Å; Y649-H653 PolarHBondContact O-N 2.98Å |
| 650 | L | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | -178.9 | -66.6 | 175 | 0 | 0 | 0 | 112.1 | L621 L646 R647 S652 H653 Y656 G657 I663 I689 L691 | L621-L650 HydrophobicContact CD1-CD1 4.16Å; L621-L650 HydrophobicContact CD1-CD2 3.63Å; L646-L650 HydrophobicContact CD1-CD1 4.34Å; L646-L650 HydrophobicContact CD1-CG 4.19Å; L646-L650 HydrophobicContact CG-CD1 4.08Å; L646-L650 HydrophobicContact CG-CG 4.35Å; L646-L650 WeakPolarHBondContact O-CB 3.1Å; L646-L650 WeakPolarHBondContact O-CG 3.34Å; L646-L650 PolarHBondContact O-N 2.8Å; R647-L650 PolarHBondContact O-N 3.48Å; L650-S652 VanDerWaalsContact C-N 3.27Å; L650-S652 PolarHBondContact O-N 3.45Å; L650-H653 WeakPolarHBondContact O-CB 3.42Å; L650-H653 PolarHBondContact O-N 2.94Å; L650-H653 VanDerWaalsContact O-N 3.08Å; L650-Y656 HydrophobicContact CD2-CD2 3.86Å; L650-Y656 HydrophobicContact CD2-CE2 4.38Å; L650-Y656 HydrophobicContact CD2-CG 4.14Å; L650-Y656 CarbonylContact O-C 3.58Å; L650-Y656 WeakPolarHBondContact O-CB 3.22Å; L650-G657 PolarHBondContact O-N 2.95Å; L650-I663 HydrophobicContact CB-CD1 3.69Å; L650-I689 HydrophobicContact CD1-CG2 4.47Å; L650-L691 HydrophobicContact CD1-CD2 4.43Å |
| 651 | Q | 90.5 | Very high | 89 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -31.1 | 176.4 | -72.3 | 179.3 | -52.9 | 0 | 0 | 113.1 | R647 Y649 H653 I663 | R647-Q651 HydrophobicContact CG-CG 4.37Å; R647-Q651 VanDerWaalsContact O-CB 3.31Å; R647-Q651 WeakPolarHBondContact O-CB 3.48Å; R647-Q651 VanDerWaalsContact O-CG 3.28Å; R647-Q651 WeakPolarHBondContact O-CG 3.32Å; R647-Q651 PolarHBondContact O-N 3.11Å; Y649-Q651 PolarHBondContact O-N 2.82Å; Q651-H653 VanDerWaalsContact C-N 3.29Å; Q651-I663 HydrophobicContact CG-CD1 3.92Å |
| 652 | S | 89.5 | Confident | 89.8 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -76.7 | -13 | 175 | 71.5 | 0 | 0 | 0 | 0 | 114.1 | K648 Y649 L650 | K648-S652 VanDerWaalsContact O-CB 3.3Å; K648-S652 WeakPolarHBondContact O-CB 3.48Å; K648-S652 PolarHBondContact O-N 2.84Å; K648-S652 PolarHBondContact O-OG 2.66Å; Y649-S652 PolarHBondContact O-N 2.89Å; Y649-S652 PolarHBondContact O-OG 3.48Å; L650-S652 VanDerWaalsContact C-N 3.27Å; L650-S652 PolarHBondContact O-N 3.45Å |
| 653 | H | 89.7 | Confident | 90.2 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 27% | 0.269 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -84.4 | 128.2 | -176.3 | -162.4 | -36.4 | 0 | 0 | 0 | 110.8 | Y649 L650 Q651 R655 Y656 G657 | Y649-H653 PolarHBondContact O-N 2.98Å; L650-H653 WeakPolarHBondContact O-CB 3.42Å; L650-H653 PolarHBondContact O-N 2.94Å; L650-H653 VanDerWaalsContact O-N 3.08Å; Q651-H653 VanDerWaalsContact C-N 3.29Å; H653-R655 PolarHBondContact O-N 3.14Å; H653-Y656 HydrophobicContact CB-CD2 3.85Å; H653-Y656 AromaticContact CD2-CD2 3.64Å; H653-Y656 AromaticContact CD2-CE2 3.69Å; H653-Y656 AromaticContact CG-CD2 3.66Å; H653-Y656 AromaticContact NE2-CE2 3.86Å; H653-Y656 PolarHBondContact O-N 2.92Å; H653-Y656 VanDerWaalsContact O-N 3.13Å; H653-G657 PolarHBondContact O-N 3.18Å |
| 654 | S | 89.1 | Confident | 90.3 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 80% | 0.797 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -29.4 | -178.3 | 53.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 655 | R | 90.2 | Very high | 90.8 | Very high | 121 Ų | 121 | 60 Ų | 60 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -54.4 | 177.5 | 179.5 | 167.5 | -76 | -165.4 | -4.3 | 111.9 | D622 H653 S658 Y661 | D622-R655 VanDerWaalsContact OD1-CD 3.25Å; D622-R655 WeakPolarHBondContact OD1-CD 3.2Å; D622-R655 IonicContact OD1-CZ 3.48Å; D622-R655 IonicContact OD1-NE 2.76Å; D622-R655 IonicContact OD1-NH1 3.94Å; D622-R655 PolarHBondContact OD1-NH1 3.43Å; H653-R655 PolarHBondContact O-N 3.14Å; R655-S658 WeakPolarHBondContact O-CB 3.39Å; R655-S658 PolarHBondContact O-N 3.32Å; R655-S658 PolarHBondContact O-OG 2.62Å; R655-Y661 HydrophobicContact CG-CE2 4.18Å; R655-Y661 VanDerWaalsContact O-CD2 3.23Å; R655-Y661 WeakPolarHBondContact O-CD2 3.24Å; R655-Y661 WeakPolarHBondContact O-CE2 3.49Å |
| 656 | Y | 89.9 | Confident | 91 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.8 | -172.1 | -51.2 | -68.1 | 0 | 0 | 0 | 114.4 | G618 L621 D622 I625 L650 H653 S658 Y661 I663 I689 | G618-Y656 PolarHBondContact O-OH 3.27Å; G618-Y656 VanDerWaalsContact O-OH 3.12Å; L621-Y656 HydrophobicContact CB-CE1 3.73Å; L621-Y656 VanDerWaalsContact CB-OH 3.3Å; L621-Y656 WeakPolarHBondContact CB-OH 3.5Å; L621-Y656 HydrophobicContact CD1-CE1 4.24Å; D622-Y656 PolarHBondContact N-OH 3.17Å; D622-Y656 VanDerWaalsContact N-OH 3.09Å; D622-Y656 PolarHBondContact OD1-OH 2.97Å; D622-Y656 PolarHBondContact OD2-OH 3.35Å; I625-Y656 HydrophobicContact CD1-CE1 3.74Å; L650-Y656 HydrophobicContact CD2-CD2 3.86Å; L650-Y656 HydrophobicContact CD2-CE2 4.38Å; L650-Y656 HydrophobicContact CD2-CG 4.14Å; L650-Y656 CarbonylContact O-C 3.58Å; L650-Y656 WeakPolarHBondContact O-CB 3.22Å; H653-Y656 HydrophobicContact CB-CD2 3.85Å; H653-Y656 AromaticContact CD2-CD2 3.64Å; H653-Y656 AromaticContact CD2-CE2 3.69Å; H653-Y656 AromaticContact CG-CD2 3.66Å; H653-Y656 AromaticContact NE2-CE2 3.86Å; H653-Y656 PolarHBondContact O-N 2.92Å; H653-Y656 VanDerWaalsContact O-N 3.13Å; Y656-S658 VanDerWaalsContact C-N 3.31Å; Y656-Y661 HydrophobicContact CD1-CD1 4.21Å; Y656-Y661 HydrophobicContact CD1-CE1 4.12Å; Y656-Y661 HydrophobicContact CE1-CE1 4.46Å; Y656-Y661 WeakPolarHBondContact O-CB 3.4Å; Y656-I663 WeakPolarHBondContact O-CD1 3.26Å; Y656-I689 HydrophobicContact CD1-CD1 4.38Å |
| 657 | G | 86.8 | Confident | 90.6 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L650 H653 | L650-G657 PolarHBondContact O-N 2.95Å; H653-G657 PolarHBondContact O-N 3.18Å |
| 658 | S | 89.9 | Confident | 89.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -77.9 | 154.6 | 177.3 | 72.4 | 0 | 0 | 0 | 0 | 112 | R655 Y656 N660 Y661 | R655-S658 WeakPolarHBondContact O-CB 3.39Å; R655-S658 PolarHBondContact O-N 3.32Å; R655-S658 PolarHBondContact O-OG 2.62Å; Y656-S658 VanDerWaalsContact C-N 3.31Å; S658-N660 PolarHBondContact O-N 2.9Å; S658-Y661 PolarHBondContact O-N 3.34Å |
| 659 | P | 88 | Confident | 88.6 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 74% | 0.74 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.6 | -179.4 | 25.8 | -36.2 | 0 | 0 | 0 | 114.7 | Y661 | P659-Y661 PolarHBondContact O-N 2.9Š|
| 660 | N | 92 | Very high | 87.6 | Confident | 96 Ų | 96 | 53.5 Ų | 53.5 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.2 | 171.6 | -60.5 | -16.5 | 0 | 0 | 0 | 112.7 | S658 V686 R687 | S658-N660 PolarHBondContact O-N 2.9Å; N660-V686 CarbonylContact O-C 3.59Å; N660-V686 WeakPolarHBondContact O-CA 3.47Å; N660-R687 PolarHBondContact O-N 3.33Å |
| 661 | Y | 94.1 | Very high | 86.2 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.4 | 179.6 | -61.5 | -89.4 | 0 | 0 | 0 | 112 | I625 R655 Y656 S658 P659 R687 I689 | I625-Y661 HydrophobicContact CD1-CE1 4.11Å; I625-Y661 WeakPolarHBondContact CD1-OH 3.33Å; R655-Y661 HydrophobicContact CG-CE2 4.18Å; R655-Y661 VanDerWaalsContact O-CD2 3.23Å; R655-Y661 WeakPolarHBondContact O-CD2 3.24Å; R655-Y661 WeakPolarHBondContact O-CE2 3.49Å; Y656-Y661 HydrophobicContact CD1-CD1 4.21Å; Y656-Y661 HydrophobicContact CD1-CE1 4.12Å; Y656-Y661 HydrophobicContact CE1-CE1 4.46Å; Y656-Y661 WeakPolarHBondContact O-CB 3.4Å; S658-Y661 PolarHBondContact O-N 3.34Å; P659-Y661 PolarHBondContact O-N 2.9Å; Y661-R687 WeakPolarHBondContact CA-O 3.32Å; Y661-R687 HydrophobicContact CD1-CB 4Å; Y661-R687 HydrophobicContact CD1-CG 4.28Å; Y661-R687 HydrophobicContact CE1-CB 4.04Å; Y661-R687 HydrophobicContact CE1-CG 4.31Å; Y661-I689 HydrophobicContact CD1-CD1 4.02Å |
| 662 | V | 94 | Very high | 85.1 | Confident | 51 Ų | 51 | 53 Ų | 53 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 105.3 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 108.7 | L664 T682 V686 R687 K688 I689 | V662-L664 HydrophobicContact CG1-CD1 4.12Å; V662-L664 HydrophobicContact CG1-CD2 3.95Å; V662-L664 HydrophobicContact CG1-CG 3.82Å; V662-T682 HydrophobicContact CB-CG2 4.23Å; V662-T682 HydrophobicContact CG2-CG2 4.36Å; V662-V686 HydrophobicContact CB-CG1 4.39Å; V662-V686 HydrophobicContact CG2-CG1 3.62Å; V662-R687 PolarHBondContact N-O 3.03Å; V662-K688 WeakPolarHBondContact O-CA 3.34Å; V662-I689 PolarHBondContact O-N 3.44Å |
| 663 | I | 94.7 | Very high | 84.2 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 102.2 | -173.6 | -53.3 | 164 | 0 | 0 | 0 | 110.2 | R647 L650 Q651 Y656 I689 L691 | R647-I663 HydrophobicContact CG-CG2 3.98Å; R647-I663 PolarHBondContact NE-O 2.94Å; R647-I663 PolarHBondContact NH2-O 2.83Å; L650-I663 HydrophobicContact CB-CD1 3.69Å; Q651-I663 HydrophobicContact CG-CD1 3.92Å; Y656-I663 WeakPolarHBondContact O-CD1 3.26Å; I663-I689 CarbonylContact C-O 3.6Å; I663-I689 WeakPolarHBondContact CA-O 3.36Å; I663-I689 HydrophobicContact CG1-CB 4.4Å; I663-L691 HydrophobicContact CG2-CD1 3.74Å; I663-L691 HydrophobicContact CG2-CG 4.12Å |
| 664 | L | 93.4 | Very high | 83.6 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121 | -175.1 | -59.8 | 176.8 | 0 | 0 | 0 | 111.3 | V662 L677 V678 K688 I689 V690 L691 | V662-L664 HydrophobicContact CG1-CD1 4.12Å; V662-L664 HydrophobicContact CG1-CD2 3.95Å; V662-L664 HydrophobicContact CG1-CG 3.82Å; L664-L677 HydrophobicContact CD1-CB 4.01Å; L664-L677 HydrophobicContact CD2-CB 4.31Å; L664-L677 HydrophobicContact CD2-CD1 4.3Å; L664-V678 HydrophobicContact CB-CG1 4.17Å; L664-V678 HydrophobicContact CD1-CG1 4.26Å; L664-K688 HydrophobicContact CD1-CD 4Å; L664-K688 HydrophobicContact CD1-CG 4.27Å; L664-I689 PolarHBondContact N-O 3.08Å; L664-V690 CarbonylContact O-C 3.58Å; L664-V690 VanDerWaalsContact O-CA 3.31Å; L664-V690 WeakPolarHBondContact O-CA 3.22Å; L664-L691 PolarHBondContact O-N 2.88Å |
| 665 | P | 91.4 | Very high | 83.1 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 150.6 | 169.2 | 31.2 | -30.7 | 0 | 0 | 0 | 111 | W640 I643 I670 L691 | W640-P665 HydrophobicContact CZ3-CB 4.03Å; I643-P665 HydrophobicContact CG2-CB 3.55Å; P665-I670 HydrophobicContact CB-CD1 3.72Å; P665-I670 HydrophobicContact CG-CD1 3.93Å; P665-I670 WeakPolarHBondContact O-CD1 3.37Å; P665-L691 CarbonylContact C-O 3.57Å; P665-L691 WeakPolarHBondContact CA-O 3.25Å |
| 666 | L | 89.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 102.7 | 178.3 | -175.4 | 58.3 | 0 | 0 | 0 | 110.7 | Q675 V678 V690 L691 A692 T693 I695 A696 I702 | L666-Q675 HydrophobicContact CD1-CB 4.19Å; L666-Q675 HydrophobicContact CD1-CG 4.14Å; L666-V678 HydrophobicContact CB-CG1 4.3Å; L666-V678 HydrophobicContact CD1-CG1 4.11Å; L666-V678 HydrophobicContact CD1-CG2 4.32Å; L666-V678 HydrophobicContact CD2-CG1 4.27Å; L666-V678 HydrophobicContact CD2-CG2 4.08Å; L666-V678 HydrophobicContact CG-CG1 4.45Å; L666-V690 HydrophobicContact CB-CG1 3.94Å; L666-V690 HydrophobicContact CD2-CG1 4Å; L666-L691 PolarHBondContact N-O 2.8Å; L666-A692 HydrophobicContact CB-CB 3.98Å; L666-A692 HydrophobicContact CD2-CB 4.19Å; L666-A692 HydrophobicContact CG-CB 4.39Å; L666-A692 WeakPolarHBondContact O-CA 3.42Å; L666-T693 PolarHBondContact O-N 3.11Å; L666-I695 HydrophobicContact CG-CG2 3.96Å; L666-I695 WeakPolarHBondContact O-CG2 3.34Å; L666-A696 HydrophobicContact CD2-CB 3.88Å; L666-I702 HydrophobicContact CD2-CD1 4.25Å |
| 667 | H | 84.3 | Confident | 82.4 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | trans | -153 | 151.2 | -170.6 | -169.5 | -95.7 | 0 | 0 | 0 | 109.1 | W640 I643 Q669 I670 Q675 T693 | W640-H667 HydrophobicContact CE3-CB 3.84Å; W640-H667 AromaticContact CE3-CG 3.96Å; W640-H667 HydrophobicContact CZ3-CB 4.22Å; W640-H667 PolarHBondContact N-NE2 2.9Å; I643-H667 HydrophobicContact CD1-CB 4.26Å; H667-Q669 PolarHBondContact CE1-OE1 3.47Å; H667-Q669 PolarHBondContact ND1-N 2.68Å; H667-Q669 PolarHBondContact O-N 2.75Å; H667-I670 HydrophobicContact CB-CD1 3.77Å; H667-I670 HydrophobicContact CB-CG1 3.98Å; H667-I670 WeakPolarHBondContact O-CB 3.28Å; H667-I670 PolarHBondContact O-N 3.37Å; H667-I670 VanDerWaalsContact O-N 3.13Å; H667-Q675 PolarHBondContact O-NE2 2.99Å; H667-T693 VanDerWaalsContact CD2-CG2 3.49Å; H667-T693 WeakPolarHBondContact CD2-CG2 3.42Å | ||
| 668 | S | 71.4 | Confident | 82.4 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 60% | 0.601 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14 | -175.4 | 51.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 669 | Q | 65.8 | Low | 82.1 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -0.7 | -179.4 | -63.8 | 177 | -52.3 | 0 | 0 | 113.8 | H667 | H667-Q669 PolarHBondContact CE1-OE1 3.47Å; H667-Q669 PolarHBondContact ND1-N 2.68Å; H667-Q669 PolarHBondContact O-N 2.75Å |
| 670 | I | 70.5 | Confident | 82 | Confident | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -81 | 147 | 176.2 | -63.9 | 175 | 0 | 0 | 0 | 108.6 | W640 P665 H667 D674 Q675 | W640-I670 HydrophobicContact CH2-CD1 4.47Å; W640-I670 HydrophobicContact CH2-CG1 4.11Å; W640-I670 HydrophobicContact CZ3-CD1 3.76Å; W640-I670 HydrophobicContact CZ3-CG1 3.67Å; P665-I670 HydrophobicContact CB-CD1 3.72Å; P665-I670 HydrophobicContact CG-CD1 3.93Å; P665-I670 WeakPolarHBondContact O-CD1 3.37Å; H667-I670 HydrophobicContact CB-CD1 3.77Å; H667-I670 HydrophobicContact CB-CG1 3.98Å; H667-I670 WeakPolarHBondContact O-CB 3.28Å; H667-I670 PolarHBondContact O-N 3.37Å; H667-I670 VanDerWaalsContact O-N 3.13Å; I670-D674 HydrophobicContact CG2-CB 3.32Å; I670-Q675 HydrophobicContact CB-CG 3.85Å; I670-Q675 HydrophobicContact CG2-CG 3.78Å; I670-Q675 PolarHBondContact O-NE2 2.68Å |
| 671 | P | 65.4 | Low | 81.6 | Confident | 29 Ų | 29 | 54 Ų | 54 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | trans | -61 | 150.7 | 176.7 | 19.4 | -23.3 | 0 | 0 | 0 | 111.3 | E673 D674 Q675 S932 | P671-E673 PolarHBondContact O-N 2.8Å; P671-E673 VanDerWaalsContact O-N 3.13Å; P671-D674 HydrophobicContact CG-CB 3.98Å; P671-D674 PolarHBondContact O-N 2.73Å; P671-Q675 PolarHBondContact O-N 3.35Å; P671-S932 WeakPolarHBondContact CD-OG 3.48Å | ||
| 672 | R | 67.2 | Low | 81.3 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.3 | -35 | -176.8 | -69.4 | -172.9 | -175.7 | 91.6 | -13.5 | 112.6 | E453 Q675 R676 D939 | E453-R672 IonicContact OE1-NE 3.77Å; E453-R672 IonicContact OE2-CZ 2.91Å; E453-R672 IonicContact OE2-NE 3.66Å; E453-R672 PolarHBondContact OE2-NE 3.23Å; E453-R672 IonicContact OE2-NH2 3.92Å; E453-R672 PolarHBondContact OE2-NH2 2.93Å; R672-Q675 PolarHBondContact O-N 2.89Å; R672-R676 WeakPolarHBondContact O-CG 3.37Å; R672-R676 PolarHBondContact O-N 3.33Å; R672-D939 IonicContact CZ-OD2 2.76Å; R672-D939 VanDerWaalsContact CZ-OD2 3.26Å; R672-D939 IonicContact NH1-OD2 3.68Å; R672-D939 PolarHBondContact NH1-OD2 3.3Å; R672-D939 IonicContact NH2-OD2 3.38Å; R672-D939 PolarHBondContact NH2-OD2 3.19Å |
| 673 | E | 71 | Confident | 80.9 | Confident | 134 Ų | 134 | 55.9 Ų | 55.9 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.9 | -45.6 | -176.9 | -69.4 | 165.8 | -134.6 | 0 | 0 | 111.9 | P671 Q675 R676 L677 | P671-E673 PolarHBondContact O-N 2.8Å; P671-E673 VanDerWaalsContact O-N 3.13Å; E673-Q675 PolarHBondContact O-N 2.85Å; E673-R676 WeakPolarHBondContact O-CA 3.23Å; E673-R676 WeakPolarHBondContact O-CB 3.29Å; E673-R676 PolarHBondContact O-N 2.81Å; E673-R676 VanDerWaalsContact O-N 3.08Å; E673-L677 PolarHBondContact O-N 3.41Å |
| 674 | D | 75.6 | Confident | 80.5 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 169.9 | -85.8 | -1.1 | 0 | 0 | 0 | 111.8 | I670 P671 R676 L677 | I670-D674 HydrophobicContact CG2-CB 3.32Å; P671-D674 HydrophobicContact CG-CB 3.98Å; P671-D674 PolarHBondContact O-N 2.73Å; D674-R676 PolarHBondContact O-N 2.77Å; D674-L677 WeakPolarHBondContact O-CB 3.37Å; D674-L677 PolarHBondContact O-N 3.24Å; D674-L677 VanDerWaalsContact O-N 3.08Å |
| 675 | Q | 80.2 | Confident | 80.1 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -34 | 173.6 | -67.8 | -172 | 60.4 | 0 | 0 | 111.7 | I425 L666 H667 I670 P671 R672 E673 L677 V678 | I425-Q675 HydrophobicContact CD1-CB 4.28Å; L666-Q675 HydrophobicContact CD1-CB 4.19Å; L666-Q675 HydrophobicContact CD1-CG 4.14Å; H667-Q675 PolarHBondContact O-NE2 2.99Å; I670-Q675 HydrophobicContact CB-CG 3.85Å; I670-Q675 HydrophobicContact CG2-CG 3.78Å; I670-Q675 PolarHBondContact O-NE2 2.68Å; P671-Q675 PolarHBondContact O-N 3.35Å; R672-Q675 PolarHBondContact O-N 2.89Å; E673-Q675 PolarHBondContact O-N 2.85Å; Q675-L677 VanDerWaalsContact C-N 3.32Å; Q675-L677 PolarHBondContact O-N 3.11Å; Q675-V678 VanDerWaalsContact O-CG2 3.3Å; Q675-V678 WeakPolarHBondContact O-CG2 3.49Å |
| 676 | R | 79.8 | Confident | 80.2 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.5 | -23.7 | 174.4 | -80.2 | -178.7 | 176.2 | 130.9 | -3.1 | 113.3 | E432 R672 E673 D674 V678 F679 | E432-R676 IonicContact OE1-CZ 3.72Å; E432-R676 IonicContact OE1-NE 2.63Å; E432-R676 PolarHBondContact OE1-NE 2.87Å; E432-R676 IonicContact OE1-NH2 3.23Å; E432-R676 PolarHBondContact OE1-NH2 3.17Å; E432-R676 IonicContact OE2-NE 2.64Å; R672-R676 WeakPolarHBondContact O-CG 3.37Å; R672-R676 PolarHBondContact O-N 3.33Å; E673-R676 WeakPolarHBondContact O-CA 3.23Å; E673-R676 WeakPolarHBondContact O-CB 3.29Å; E673-R676 PolarHBondContact O-N 2.81Å; E673-R676 VanDerWaalsContact O-N 3.08Å; D674-R676 PolarHBondContact O-N 2.77Å; R676-V678 PolarHBondContact O-N 3.27Å; R676-F679 PolarHBondContact O-N 3.34Å |
| 677 | L | 84.5 | Confident | 80.4 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -30.4 | 179 | -62.9 | 179 | 0 | 0 | 0 | 112.8 | L664 E673 D674 Q675 F679 R680 | L664-L677 HydrophobicContact CD1-CB 4.01Å; L664-L677 HydrophobicContact CD2-CB 4.31Å; L664-L677 HydrophobicContact CD2-CD1 4.3Å; E673-L677 PolarHBondContact O-N 3.41Å; D674-L677 WeakPolarHBondContact O-CB 3.37Å; D674-L677 PolarHBondContact O-N 3.24Å; D674-L677 VanDerWaalsContact O-N 3.08Å; Q675-L677 VanDerWaalsContact C-N 3.32Å; Q675-L677 PolarHBondContact O-N 3.11Å; L677-F679 PolarHBondContact O-N 2.96Å; L677-R680 PolarHBondContact O-N 3.38Å; L677-R680 VanDerWaalsContact O-N 3.14Å |
| 678 | V | 87.8 | Confident | 81 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.4 | -177.6 | -48.1 | 0 | 0 | 0 | 0 | 112.9 | L664 L666 Q675 R676 K688 V690 I702 | L664-V678 HydrophobicContact CB-CG1 4.17Å; L664-V678 HydrophobicContact CD1-CG1 4.26Å; L666-V678 HydrophobicContact CB-CG1 4.3Å; L666-V678 HydrophobicContact CD1-CG1 4.11Å; L666-V678 HydrophobicContact CD1-CG2 4.32Å; L666-V678 HydrophobicContact CD2-CG1 4.27Å; L666-V678 HydrophobicContact CD2-CG2 4.08Å; L666-V678 HydrophobicContact CG-CG1 4.45Å; Q675-V678 VanDerWaalsContact O-CG2 3.3Å; Q675-V678 WeakPolarHBondContact O-CG2 3.49Å; R676-V678 PolarHBondContact O-N 3.27Å; V678-K688 PolarHBondContact O-NZ 3.11Å; V678-V690 HydrophobicContact CB-CG1 4.37Å; V678-V690 HydrophobicContact CB-CG2 4.41Å; V678-V690 HydrophobicContact CG1-CG1 4.07Å; V678-I702 HydrophobicContact CB-CD1 4.16Å; V678-I702 HydrophobicContact CG2-CD1 3.9Å; V678-I702 HydrophobicContact CG2-CG1 4.21Å; V678-I702 WeakPolarHBondContact O-CG2 3.26Å |
| 679 | F | 83.9 | Confident | 82.2 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.1 | 179.6 | -60.5 | -84 | 0 | 0 | 0 | 113.3 | I425 R676 L677 I700 T701 | I425-F679 HydrophobicContact CD1-CE2 4.46Å; R676-F679 PolarHBondContact O-N 3.34Å; L677-F679 PolarHBondContact O-N 2.96Å; F679-I700 HydrophobicContact CE1-CG2 3.77Å; F679-I700 HydrophobicContact CZ-CG2 3.87Å; F679-T701 VanDerWaalsContact CD1-O 3.31Å; F679-T701 WeakPolarHBondContact CD1-O 3.4Å; F679-T701 WeakPolarHBondContact CE1-O 3.36Å |
| 680 | R | 85.6 | Confident | 83.7 | Confident | 169 Ų | 169 | 57.3 Ų | 57.3 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72.6 | 137.2 | 179.7 | -62 | -177.1 | 178.4 | 176.2 | -0.3 | 110 | L677 K688 | L677-R680 PolarHBondContact O-N 3.38Å; L677-R680 VanDerWaalsContact O-N 3.14Å; R680-K688 PolarHBondContact O-NZ 3.46Å |
| 681 | S | 84.1 | Confident | 84.9 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 67% | 0.671 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 140.7 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 682 | T | 86.7 | Confident | 86.3 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 156.8 | 172.9 | 41.4 | 0 | 0 | 0 | 0 | 112.1 | V662 V686 K688 | V662-T682 HydrophobicContact CB-CG2 4.23Å; V662-T682 HydrophobicContact CG2-CG2 4.36Å; T682-V686 WeakPolarHBondContact CB-O 3.2Å; T682-V686 HydrophobicContact CG2-CG1 4.11Å; T682-V686 PolarHBondContact OG1-O 3.41Å; T682-K688 HydrophobicContact CG2-CB 3.82Å; T682-K688 HydrophobicContact CG2-CD 4.44Å; T682-K688 HydrophobicContact CG2-CG 4.44Å |
| 683 | P | 86.4 | Confident | 87.4 | Confident | 95 Ų | 95 | 53 Ų | 53 | 62% | 0.617 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 156.2 | 169.5 | -23.8 | 34.6 | 0 | 0 | 0 | 112.4 | G685 V686 | P683-G685 PolarHBondContact O-N 3.47Å; P683-V686 HydrophobicContact CB-CG2 4.23Å; P683-V686 WeakPolarHBondContact O-CB 3.48Å; P683-V686 PolarHBondContact O-N 3.45Å |
| 684 | S | 85 | Confident | 88.2 | Confident | 135 Ų | 135 | 49.7 Ų | 49.7 | 94% | 0.944 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 136.6 | 176 | -167 | 0 | 0 | 0 | 0 | 111.3 | V686 | S684-V686 VanDerWaalsContact C-N 3.28Å; S684-V686 PolarHBondContact O-N 3.18Å |
| 685 | G | 86.4 | Confident | 88.6 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 72% | 0.722 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -14.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P683 | P683-G685 PolarHBondContact O-N 3.47Š|
| 686 | V | 93 | Very high | 89 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 122.7 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 111 | N660 V662 T682 P683 S684 | N660-V686 CarbonylContact O-C 3.59Å; N660-V686 WeakPolarHBondContact O-CA 3.47Å; V662-V686 HydrophobicContact CB-CG1 4.39Å; V662-V686 HydrophobicContact CG2-CG1 3.62Å; T682-V686 WeakPolarHBondContact CB-O 3.2Å; T682-V686 HydrophobicContact CG2-CG1 4.11Å; T682-V686 PolarHBondContact OG1-O 3.41Å; P683-V686 HydrophobicContact CB-CG2 4.23Å; P683-V686 WeakPolarHBondContact O-CB 3.48Å; P683-V686 PolarHBondContact O-N 3.45Å; S684-V686 VanDerWaalsContact C-N 3.28Å; S684-V686 PolarHBondContact O-N 3.18Å |
| 687 | R | 94.2 | Very high | 89.3 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.3 | 179.2 | 173.7 | 166 | -85.9 | 168.2 | -2.6 | 112 | I624 I629 G631 N660 Y661 V662 | I624-R687 PolarHBondContact O-NH1 3.05Å; I624-R687 PolarHBondContact O-NH2 3.38Å; I629-R687 PolarHBondContact O-NH2 3.44Å; G631-R687 PolarHBondContact O-NE 3.48Å; G631-R687 VanDerWaalsContact O-NE 3.08Å; N660-R687 PolarHBondContact O-N 3.33Å; Y661-R687 WeakPolarHBondContact CA-O 3.32Å; Y661-R687 HydrophobicContact CD1-CB 4Å; Y661-R687 HydrophobicContact CD1-CG 4.28Å; Y661-R687 HydrophobicContact CE1-CB 4.04Å; Y661-R687 HydrophobicContact CE1-CG 4.31Å; V662-R687 PolarHBondContact N-O 3.03Å |
| 688 | K | 96 | Very high | 88.9 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.8 | 172.2 | -169.7 | 168.5 | 53.4 | -174.6 | 0 | 111.5 | A632 V633 V662 L664 V678 R680 T682 V690 D704 | A632-K688 WeakPolarHBondContact CA-O 3.48Å; A632-K688 HydrophobicContact CB-CB 3.92Å; V633-K688 PolarHBondContact N-O 3.09Å; V662-K688 WeakPolarHBondContact O-CA 3.34Å; L664-K688 HydrophobicContact CD1-CD 4Å; L664-K688 HydrophobicContact CD1-CG 4.27Å; V678-K688 PolarHBondContact O-NZ 3.11Å; R680-K688 PolarHBondContact O-NZ 3.46Å; T682-K688 HydrophobicContact CG2-CB 3.82Å; T682-K688 HydrophobicContact CG2-CD 4.44Å; T682-K688 HydrophobicContact CG2-CG 4.44Å; K688-V690 HydrophobicContact CD-CG2 4.17Å; K688-V690 HydrophobicContact CG-CG2 3.95Å; K688-D704 WeakPolarHBondContact CE-OD1 3.17Å; K688-D704 WeakPolarHBondContact CE-OD2 3.47Å; K688-D704 IonicContact NZ-OD1 3.25Å; K688-D704 PolarHBondContact NZ-OD1 2.88Å; K688-D704 IonicContact NZ-OD2 3.77Å; K688-D704 PolarHBondContact NZ-OD2 2.83Å |
| 689 | I | 97.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.3 | 171.7 | -58 | 177 | 0 | 0 | 0 | 107.3 | L621 V633 I635 L650 Y656 Y661 V662 I663 L664 L691 | L621-I689 HydrophobicContact CD1-CD1 4.3Å; L621-I689 HydrophobicContact CD2-CD1 4.11Å; V633-I689 HydrophobicContact CB-CG1 4.47Å; V633-I689 CarbonylContact O-C 3.56Å; V633-I689 WeakPolarHBondContact O-CA 3.32Å; I635-I689 HydrophobicContact CD1-CG2 4.07Å; I635-I689 HydrophobicContact CG1-CG2 4.41Å; L650-I689 HydrophobicContact CD1-CG2 4.47Å; Y656-I689 HydrophobicContact CD1-CD1 4.38Å; Y661-I689 HydrophobicContact CD1-CD1 4.02Å; V662-I689 PolarHBondContact O-N 3.44Å; I663-I689 CarbonylContact C-O 3.6Å; I663-I689 WeakPolarHBondContact CA-O 3.36Å; I663-I689 HydrophobicContact CG1-CB 4.4Å; L664-I689 PolarHBondContact N-O 3.08Å; I689-L691 HydrophobicContact CG2-CD2 3.91Å |
| 690 | V | 96.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.2 | -178.9 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | V633 L634 I635 L664 L666 V678 K688 A692 I702 | V633-V690 PolarHBondContact O-N 3.18Å; L634-V690 HydrophobicContact CD1-CB 3.82Å; L634-V690 HydrophobicContact CD1-CG1 3.78Å; I635-V690 PolarHBondContact N-O 2.9Å; L664-V690 CarbonylContact O-C 3.58Å; L664-V690 VanDerWaalsContact O-CA 3.31Å; L664-V690 WeakPolarHBondContact O-CA 3.22Å; L666-V690 HydrophobicContact CB-CG1 3.94Å; L666-V690 HydrophobicContact CD2-CG1 4Å; V678-V690 HydrophobicContact CB-CG1 4.37Å; V678-V690 HydrophobicContact CB-CG2 4.41Å; V678-V690 HydrophobicContact CG1-CG1 4.07Å; K688-V690 HydrophobicContact CD-CG2 4.17Å; K688-V690 HydrophobicContact CG-CG2 3.95Å; V690-A692 HydrophobicContact CG1-CB 4.49Å; V690-I702 HydrophobicContact CG1-CD1 4.24Å; V690-I702 HydrophobicContact CG2-CD1 4.41Å |
| 691 | L | 96.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 96.4 | -178 | -55 | -176.4 | 0 | 0 | 0 | 109.6 | I635 L637 I643 L646 R647 L650 I663 L664 P665 L666 I689 | I635-L691 HydrophobicContact CB-CD2 3.88Å; I635-L691 HydrophobicContact CD1-CD2 3.74Å; I635-L691 HydrophobicContact CG1-CD2 3.96Å; L637-L691 HydrophobicContact CD1-CB 4.09Å; L637-L691 HydrophobicContact CD1-CD2 4.49Å; I643-L691 HydrophobicContact CG1-CB 4.46Å; I643-L691 HydrophobicContact CG2-CB 4.09Å; L646-L691 HydrophobicContact CD2-CD2 4.06Å; R647-L691 HydrophobicContact CB-CD1 3.81Å; R647-L691 HydrophobicContact CG-CD1 4.3Å; L650-L691 HydrophobicContact CD1-CD2 4.43Å; I663-L691 HydrophobicContact CG2-CD1 3.74Å; I663-L691 HydrophobicContact CG2-CG 4.12Å; L664-L691 PolarHBondContact O-N 2.88Å; P665-L691 CarbonylContact C-O 3.57Å; P665-L691 WeakPolarHBondContact CA-O 3.25Å; L666-L691 PolarHBondContact N-O 2.8Å; I689-L691 HydrophobicContact CG2-CD2 3.91Å |
| 692 | A | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 158.1 | -164 | 0 | 0 | 0 | 0 | 0 | 114.3 | L634 I635 F636 L637 L666 V690 A696 | L634-A692 HydrophobicContact CD1-CB 3.72Å; I635-A692 PolarHBondContact O-N 3.44Å; F636-A692 WeakPolarHBondContact CA-O 3.34Å; L637-A692 PolarHBondContact N-O 2.8Å; L666-A692 HydrophobicContact CB-CB 3.98Å; L666-A692 HydrophobicContact CD2-CB 4.19Å; L666-A692 HydrophobicContact CG-CB 4.39Å; L666-A692 WeakPolarHBondContact O-CA 3.42Å; V690-A692 HydrophobicContact CG1-CB 4.49Å; A692-A696 HydrophobicContact CB-CB 3.8Å |
| 693 | T | 91.4 | Very high | 87.1 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | trans | -93.9 | -171.5 | 157.7 | 61 | 0 | 0 | 0 | 0 | 111.3 | F636 L637 I643 L666 H667 I695 A696 | F636-T693 WeakPolarHBondContact CE1-O 3.47Å; L637-T693 WeakPolarHBondContact O-CA 3.35Å; I643-T693 HydrophobicContact CD1-CG2 3.84Å; L666-T693 PolarHBondContact O-N 3.11Å; H667-T693 VanDerWaalsContact CD2-CG2 3.49Å; H667-T693 WeakPolarHBondContact CD2-CG2 3.42Å; T693-I695 PolarHBondContact O-N 3.2Å; T693-I695 WeakPolarHBondContact OG1-CG2 3.42Å; T693-I695 PolarHBondContact OG1-N 3.28Å; T693-A696 PolarHBondContact O-N 3.49Å; T693-A696 VanDerWaalsContact O-N 3.09Å | ||
| 694 | N | 87.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 25.8 Ų | 25.8 | 35% | 0.353 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -54.7 | -4 | 166.2 | 70.3 | -30.7 | 0 | 0 | 0 | 115 | A696 E697 | N694-A696 PolarHBondContact O-N 2.89Å; N694-E697 HydrophobicContact CB-CB 4.14Å; N694-E697 WeakPolarHBondContact CB-OE2 3.28Å; N694-E697 VanDerWaalsContact O-CB 3.3Å; N694-E697 WeakPolarHBondContact O-CB 3.37Å; N694-E697 PolarHBondContact O-N 3.25Å; N694-E697 VanDerWaalsContact O-N 3.16Å |
| 695 | I | 84.2 | Confident | 87.7 | Confident | 12 Ų | 12 | 19.6 Ų | 19.6 | 6% | 0.062 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -56.5 | -31 | 165.7 | -167 | 168 | 0 | 0 | 0 | 112.5 | I425 L666 T693 I700 | I425-I695 HydrophobicContact CG2-CD1 4.01Å; I425-I695 HydrophobicContact CG2-CG1 3.81Å; L666-I695 HydrophobicContact CG-CG2 3.96Å; L666-I695 WeakPolarHBondContact O-CG2 3.34Å; T693-I695 PolarHBondContact O-N 3.2Å; T693-I695 WeakPolarHBondContact OG1-CG2 3.42Å; T693-I695 PolarHBondContact OG1-N 3.28Å; I695-I700 VanDerWaalsContact O-CD1 3.24Å; I695-I700 WeakPolarHBondContact O-CD1 3.23Å |
| 696 | A | 88 | Confident | 88.1 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -94.2 | 3.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L634 F636 L666 A692 T693 N694 R744 | L634-A696 HydrophobicContact CD1-CB 4.43Å; F636-A696 HydrophobicContact CE1-CB 3.9Å; F636-A696 HydrophobicContact CZ-CB 4.07Å; L666-A696 HydrophobicContact CD2-CB 3.88Å; A692-A696 HydrophobicContact CB-CB 3.8Å; T693-A696 PolarHBondContact O-N 3.49Å; T693-A696 VanDerWaalsContact O-N 3.09Å; N694-A696 PolarHBondContact O-N 2.89Å; A696-R744 WeakPolarHBondContact O-CD 3.49Å |
| 697 | E | 85.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 14.8 Ų | 14.8 | 6% | 0.061 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -30 | -170.3 | -177.6 | 177.2 | 126.4 | 0 | 0 | 113.6 | F636 N694 N737 Q740 R741 R744 | F636-E697 HydrophobicContact CE1-CB 4.04Å; F636-E697 HydrophobicContact CZ-CB 4.5Å; N694-E697 HydrophobicContact CB-CB 4.14Å; N694-E697 WeakPolarHBondContact CB-OE2 3.28Å; N694-E697 VanDerWaalsContact O-CB 3.3Å; N694-E697 WeakPolarHBondContact O-CB 3.37Å; N694-E697 PolarHBondContact O-N 3.25Å; N694-E697 VanDerWaalsContact O-N 3.16Å; E697-N737 WeakPolarHBondContact OE1-CA 3.49Å; E697-N737 WeakPolarHBondContact OE1-CB 3.48Å; E697-N737 VanDerWaalsContact OE1-CG 3.3Å; E697-N737 PolarHBondContact OE1-ND2 3.39Å; E697-Q740 HydrophobicContact CG-CB 3.74Å; E697-Q740 PolarHBondContact O-OE1 2.99Å; E697-R741 HydrophobicContact CB-CG 4.47Å; E697-R741 HydrophobicContact CG-CG 3.89Å; E697-R741 IonicContact OE2-CZ 3.26Å; E697-R741 IonicContact OE2-NE 3.58Å; E697-R741 PolarHBondContact OE2-NE 3Å; E697-R741 IonicContact OE2-NH2 2.92Å; E697-R741 PolarHBondContact OE2-NH2 3.41Å; E697-R744 PolarHBondContact O-NE 2.95Å; E697-R744 PolarHBondContact O-NH2 3.39Å |
| 698 | S | 77 | Confident | 88.5 | Confident | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -120.6 | 154.4 | 178.9 | 71.6 | 0 | 0 | 0 | 0 | 110.1 | R423 E489 E492 I700 R744 | R423-S698 PolarHBondContact NH1-OG 2.97Å; E489-S698 WeakPolarHBondContact OE1-CA 3.44Å; E489-S698 WeakPolarHBondContact OE1-CB 3.37Å; E492-S698 WeakPolarHBondContact OE1-CB 3.49Å; E492-S698 PolarHBondContact OE1-OG 2.74Å; E492-S698 VanDerWaalsContact OE1-OG 3.04Å; S698-I700 PolarHBondContact O-N 2.96Å; S698-R744 VanDerWaalsContact C-NH1 3.3Å |
| 699 | S | 72.6 | Confident | 88.6 | Confident | 7 Ų | 7 | 13 Ų | 13 | 5% | 0.049 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 57.4 | -31.4 | 169 | -37.9 | 0 | 0 | 0 | 0 | 120.1 | Q421 S426 E489 | Q421-S699 VanDerWaalsContact OE1-CB 3.28Å; Q421-S699 PolarHBondContact OE1-OG 3.43Å; S426-S699 VanDerWaalsContact CB-CB 3.43Å; S426-S699 VanDerWaalsContact OG-CB 3.27Å; S426-S699 WeakPolarHBondContact OG-CB 3.29Å; S426-S699 PolarHBondContact OG-OG 3Å; E489-S699 PolarHBondContact OE1-N 3.4Å |
| 700 | I | 77 | Confident | 88.6 | Confident | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | trans | -78.5 | 131 | -177.2 | -66.8 | -169.6 | 0 | 0 | 0 | 110.2 | I425 F679 I695 S698 I702 R744 R747 | I425-I700 HydrophobicContact CD1-CD1 3.77Å; I425-I700 HydrophobicContact CG1-CD1 3.85Å; I425-I700 HydrophobicContact CG2-CD1 3.96Å; F679-I700 HydrophobicContact CE1-CG2 3.77Å; F679-I700 HydrophobicContact CZ-CG2 3.87Å; I695-I700 VanDerWaalsContact O-CD1 3.24Å; I695-I700 WeakPolarHBondContact O-CD1 3.23Å; S698-I700 PolarHBondContact O-N 2.96Å; I700-I702 HydrophobicContact CG2-CG1 4.03Å; I700-R744 PolarHBondContact O-NH1 2.87Å; I700-R747 PolarHBondContact O-NH1 2.86Å | ||
| 701 | T | 74.5 | Confident | 88.6 | Confident | 46 Ų | 46 | 13.4 Ų | 13.4 | 28% | 0.282 | 7% | 0.074 | S | C | . | . | trans | -114.4 | 116.6 | 171.7 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | F679 N703 R747 | F679-T701 VanDerWaalsContact CD1-O 3.31Å; F679-T701 WeakPolarHBondContact CD1-O 3.4Å; F679-T701 WeakPolarHBondContact CE1-O 3.36Å; T701-N703 WeakPolarHBondContact CG2-OD1 3.3Å; T701-R747 PolarHBondContact OG1-NH1 3.38Å | ||
| 702 | I | 85.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 13.4 Ų | 13.4 | 6% | 0.062 | 7% | 0.074 | C | C | . | . | trans | -103.4 | 102.6 | 169.5 | -57.7 | 177.1 | 0 | 0 | 0 | 106.3 | L634 L666 V678 V690 I700 D704 V705 | L634-I702 HydrophobicContact CD1-CD1 4.48Å; L666-I702 HydrophobicContact CD2-CD1 4.25Å; V678-I702 HydrophobicContact CB-CD1 4.16Å; V678-I702 HydrophobicContact CG2-CD1 3.9Å; V678-I702 HydrophobicContact CG2-CG1 4.21Å; V678-I702 WeakPolarHBondContact O-CG2 3.26Å; V690-I702 HydrophobicContact CG1-CD1 4.24Å; V690-I702 HydrophobicContact CG2-CD1 4.41Å; I700-I702 HydrophobicContact CG2-CG1 4.03Å; I702-D704 WeakPolarHBondContact CG2-OD1 3.21Å; I702-D704 PolarHBondContact O-N 3.49Å; I702-D704 VanDerWaalsContact O-N 3.07Å; I702-V705 HydrophobicContact CB-CG2 3.75Å; I702-V705 HydrophobicContact CG2-CG2 3.69Å; I702-V705 PolarHBondContact O-N 2.86Å | ||
| 703 | N | 80.2 | Confident | 88.4 | Confident | 74 Ų | 74 | 13.8 Ų | 13.8 | 40% | 0.396 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.5 | -161.2 | -66.8 | -2.6 | 0 | 0 | 0 | 115.1 | T701 V748 | T701-N703 WeakPolarHBondContact CG2-OD1 3.3Å; N703-V748 WeakPolarHBondContact O-CG2 3.16Å |
| 704 | D | 90 | Very high | 88.2 | Confident | 22 Ų | 22 | 14.1 Ų | 14.1 | 12% | 0.118 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 2.4 | -174.2 | 59.8 | -29.2 | 0 | 0 | 0 | 114.7 | A632 K688 I702 V706 | A632-D704 HydrophobicContact CB-CB 4.46Å; A632-D704 PolarHBondContact N-O 3.21Å; K688-D704 WeakPolarHBondContact CE-OD1 3.17Å; K688-D704 WeakPolarHBondContact CE-OD2 3.47Å; K688-D704 IonicContact NZ-OD1 3.25Å; K688-D704 PolarHBondContact NZ-OD1 2.88Å; K688-D704 IonicContact NZ-OD2 3.77Å; K688-D704 PolarHBondContact NZ-OD2 2.83Å; I702-D704 WeakPolarHBondContact CG2-OD1 3.21Å; I702-D704 PolarHBondContact O-N 3.49Å; I702-D704 VanDerWaalsContact O-N 3.07Å; D704-V706 PolarHBondContact O-N 3.41Å |
| 705 | V | 93.4 | Very high | 88 | Confident | 5 Ų | 5 | 16.3 Ų | 16.3 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.3 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | A632 L634 I702 V708 R744 | A632-V705 HydrophobicContact CB-CG2 4.32Å; L634-V705 HydrophobicContact CB-CG1 3.98Å; L634-V705 HydrophobicContact CB-CG2 4.06Å; I702-V705 HydrophobicContact CB-CG2 3.75Å; I702-V705 HydrophobicContact CG2-CG2 3.69Å; I702-V705 PolarHBondContact O-N 2.86Å; V705-V708 HydrophobicContact CG1-CG2 4.12Å; V705-R744 WeakPolarHBondContact CG1-O 3.32Å |
| 706 | V | 95.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | -31.3 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | I629 A632 D704 R749 G751 F752 | I629-V706 HydrophobicContact CG2-CG1 4.06Å; A632-V706 PolarHBondContact O-N 3.34Å; D704-V706 PolarHBondContact O-N 3.41Å; V706-R749 HydrophobicContact CG2-CG 4.09Å; V706-G751 CarbonylContact O-C 3.38Å; V706-G751 WeakPolarHBondContact O-CA 3.39Å; V706-F752 HydrophobicContact CG1-CD2 4.34Å; V706-F752 PolarHBondContact O-N 3.27Å |
| 707 | F | 97.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.5 | -176.8 | -49 | -88.1 | 0 | 0 | 0 | 110.1 | I624 M627 I629 A632 V633 L634 F752 F754 | I624-F707 HydrophobicContact CB-CD1 4.33Å; I624-F707 HydrophobicContact CB-CE1 4.44Å; I624-F707 HydrophobicContact CD1-CB 4.16Å; I624-F707 HydrophobicContact CD1-CD1 4.29Å; I624-F707 HydrophobicContact CD1-CG 4.34Å; I624-F707 HydrophobicContact CG1-CD1 3.79Å; I624-F707 HydrophobicContact CG1-CE1 4.23Å; I624-F707 HydrophobicContact CG1-CG 4.23Å; I624-F707 HydrophobicContact CG2-CB 4.39Å; I624-F707 HydrophobicContact CG2-CD1 3.72Å; I624-F707 HydrophobicContact CG2-CD2 3.64Å; I624-F707 HydrophobicContact CG2-CE1 3.8Å; I624-F707 HydrophobicContact CG2-CE2 3.74Å; I624-F707 HydrophobicContact CG2-CG 3.64Å; I624-F707 HydrophobicContact CG2-CZ 3.8Å; M627-F707 HydrophobicContact SD-CE1 4.3Å; I629-F707 HydrophobicContact CB-CZ 4.01Å; I629-F707 HydrophobicContact CG2-CZ 4.01Å; A632-F707 PolarHBondContact O-N 3.37Å; V633-F707 CarbonylContact C-O 3.55Å; V633-F707 WeakPolarHBondContact CA-O 3.3Å; V633-F707 HydrophobicContact CB-CB 4.43Å; V633-F707 HydrophobicContact CG1-CB 4.17Å; V633-F707 HydrophobicContact CG2-CB 4.16Å; V633-F707 HydrophobicContact CG2-CD2 4.16Å; V633-F707 HydrophobicContact CG2-CG 4.47Å; L634-F707 PolarHBondContact N-O 3.03Å; F707-F752 CarbonylContact C-O 3.6Å; F707-F752 WeakPolarHBondContact CA-O 3.39Å; F707-F752 HydrophobicContact CD1-CB 4.05Å; F707-F752 AromaticContact CD1-CD2 3.7Å; F707-F752 HydrophobicContact CD1-CD2 3.7Å; F707-F752 HydrophobicContact CD1-CG 4.23Å; F707-F752 AromaticContact CE1-CD2 3.48Å; F707-F752 HydrophobicContact CE1-CD2 3.48Å; F707-F752 VanDerWaalsContact CE1-CD2 3.48Å; F707-F752 HydrophobicContact CE1-CE2 4.01Å; F707-F752 HydrophobicContact CE1-CG 4.31Å; F707-F752 HydrophobicContact CZ-CD2 4.43Å; F707-F754 HydrophobicContact CD1-CE2 4.34Å |
| 708 | V | 97.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.6 | 170.2 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | L634 F636 V705 D710 R744 A745 F752 A753 F754 | L634-V708 HydrophobicContact CB-CG2 4.4Å; L634-V708 CarbonylContact O-C 3.52Å; L634-V708 VanDerWaalsContact O-CA 3.3Å; L634-V708 WeakPolarHBondContact O-CA 3.4Å; F636-V708 HydrophobicContact CD2-CG1 3.92Å; F636-V708 HydrophobicContact CE2-CG1 4.14Å; V705-V708 HydrophobicContact CG1-CG2 4.12Å; V708-D710 HydrophobicContact CG1-CB 4.43Å; V708-R744 HydrophobicContact CG2-CB 4.26Å; V708-A745 HydrophobicContact CG2-CB 3.95Å; V708-F752 PolarHBondContact N-O 2.88Å; V708-A753 HydrophobicContact CB-CB 4.35Å; V708-A753 CarbonylContact O-C 3.56Å; V708-A753 WeakPolarHBondContact O-CA 3.36Å; V708-F754 WeakPolarHBondContact O-CD2 3.38Å; V708-F754 PolarHBondContact O-N 3.42Å |
| 709 | I | 98.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119 | 168.3 | -58.3 | 175.5 | 0 | 0 | 0 | 106.6 | V617 L620 L621 I624 V633 L634 I635 F636 F754 L756 | V617-I709 HydrophobicContact CG1-CD1 4.43Å; L620-I709 HydrophobicContact CB-CD1 4.34Å; L621-I709 HydrophobicContact CD2-CD1 4.33Å; L621-I709 HydrophobicContact CG-CD1 4.45Å; I624-I709 HydrophobicContact CD1-CD1 3.98Å; I624-I709 HydrophobicContact CD1-CG1 4.31Å; V633-I709 HydrophobicContact CG1-CD1 3.98Å; V633-I709 HydrophobicContact CG1-CG1 4.17Å; L634-I709 PolarHBondContact O-N 3.32Å; I635-I709 CarbonylContact C-O 3.49Å; I635-I709 VanDerWaalsContact CA-O 3.26Å; I635-I709 WeakPolarHBondContact CA-O 3.12Å; I635-I709 HydrophobicContact CD1-CD1 4.17Å; I635-I709 HydrophobicContact CG1-CB 4.22Å; I635-I709 HydrophobicContact CG1-CD1 4.35Å; I635-I709 HydrophobicContact CG2-CB 4.19Å; I635-I709 HydrophobicContact CG2-CG2 4.29Å; F636-I709 PolarHBondContact N-O 2.95Å; I709-F754 HydrophobicContact CG1-CB 4.39Å; I709-F754 HydrophobicContact CG1-CD2 4.06Å; I709-L756 HydrophobicContact CG2-CD1 3.75Å; I709-L756 HydrophobicContact CG2-CG 4.22Å |
| 710 | D | 97.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.8 | -174.1 | -179.3 | 22.9 | 0 | 0 | 0 | 110.7 | F636 V708 C712 L738 R741 F754 H755 L756 | F636-D710 HydrophobicContact CB-CB 4.47Å; V708-D710 HydrophobicContact CG1-CB 4.43Å; D710-C712 VanDerWaalsContact CG-N 3.35Å; D710-C712 VanDerWaalsContact CG-SG 3.58Å; D710-C712 PolarHBondContact O-N 3.09Å; D710-C712 PolarHBondContact O-SG 3.02Å; D710-C712 WeakPolarHBondContact OD1-CA 3.23Å; D710-C712 PolarHBondContact OD1-N 3.48Å; D710-C712 PolarHBondContact OD2-SG 3.43Å; D710-L738 WeakPolarHBondContact OD2-CG 3.42Å; D710-R741 WeakPolarHBondContact OD1-CD 3.3Å; D710-R741 IonicContact OD1-CZ 2.69Å; D710-R741 IonicContact OD1-NE 3.88Å; D710-R741 IonicContact OD1-NH1 2.77Å; D710-R741 PolarHBondContact OD1-NH1 2.87Å; D710-R741 WeakPolarHBondContact OD2-CD 3.45Å; D710-R741 IonicContact OD2-NH1 2.85Å; D710-F754 PolarHBondContact N-O 3.08Å; D710-H755 IonicContact OD2-CE1 2.71Å; D710-H755 IonicContact OD2-ND1 3.59Å; D710-H755 PolarHBondContact OD2-ND1 2.87Å; D710-L756 WeakPolarHBondContact O-CB 3.49Å; D710-L756 PolarHBondContact O-N 3.36Å |
| 711 | F | 96.1 | Very high | 86.1 | Confident | 9 Ų | 9 | 27.7 Ų | 27.7 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | trans | -69.5 | -7.7 | 172.5 | -79.1 | -142.3 | 0 | 0 | 0 | 111.9 | V612 V617 I635 F636 L637 I642 L713 L756 | V612-F711 HydrophobicContact CB-CD1 3.88Å; V612-F711 HydrophobicContact CB-CE1 3.62Å; V612-F711 HydrophobicContact CB-CE2 4.49Å; V612-F711 HydrophobicContact CB-CG 4.44Å; V612-F711 HydrophobicContact CB-CZ 3.95Å; V612-F711 HydrophobicContact CG1-CD1 4.48Å; V612-F711 HydrophobicContact CG1-CE1 4Å; V612-F711 HydrophobicContact CG1-CE2 4.07Å; V612-F711 HydrophobicContact CG1-CZ 3.77Å; V612-F711 HydrophobicContact CG2-CD1 3.83Å; V612-F711 HydrophobicContact CG2-CE1 4.11Å; V612-F711 HydrophobicContact CG2-CG 4.06Å; V617-F711 HydrophobicContact CG2-CE2 3.75Å; V617-F711 HydrophobicContact CG2-CZ 3.8Å; I635-F711 HydrophobicContact CG2-CD2 4.39Å; I635-F711 HydrophobicContact CG2-CE2 4.07Å; F636-F711 WeakPolarHBondContact O-CB 3.28Å; F636-F711 PolarHBondContact O-N 3.27Å; F636-F711 VanDerWaalsContact O-N 3.14Å; L637-F711 HydrophobicContact CD2-CD1 3.74Å; L637-F711 HydrophobicContact CD2-CD2 3.58Å; L637-F711 HydrophobicContact CD2-CE1 3.56Å; L637-F711 HydrophobicContact CD2-CE2 3.42Å; L637-F711 VanDerWaalsContact CD2-CE2 3.42Å; L637-F711 HydrophobicContact CD2-CG 3.76Å; L637-F711 HydrophobicContact CD2-CZ 3.41Å; L637-F711 VanDerWaalsContact CD2-CZ 3.41Å; I642-F711 HydrophobicContact CG2-CE1 4.15Å; F711-L713 WeakPolarHBondContact O-CG 3.34Å; F711-L713 PolarHBondContact O-N 2.9Å; F711-L756 HydrophobicContact CD2-CD1 3.89Å; F711-L756 HydrophobicContact CE2-CD1 3.96Å | ||
| 712 | C | 95.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 59.2 | 10.8 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 114.7 | D710 W732 S733 L738 C757 | D710-C712 VanDerWaalsContact CG-N 3.35Å; D710-C712 VanDerWaalsContact CG-SG 3.58Å; D710-C712 PolarHBondContact O-N 3.09Å; D710-C712 PolarHBondContact O-SG 3.02Å; D710-C712 WeakPolarHBondContact OD1-CA 3.23Å; D710-C712 PolarHBondContact OD1-N 3.48Å; D710-C712 PolarHBondContact OD2-SG 3.43Å; C712-W732 HydrophobicContact CB-CE3 4.11Å; C712-W732 HydrophobicContact CB-CZ3 3.97Å; C712-S733 PolarHBondContact O-N 3.08Å; C712-S733 PolarHBondContact O-OG 2.92Å; C712-L738 HydrophobicContact CB-CD1 4.01Å; C712-L738 HydrophobicContact CB-CD2 4.22Å; C712-L738 HydrophobicContact CB-CG 4.32Å; C712-C757 HydrophobicContact CB-CB 4.18Å | ||
| 713 | L | 92 | Very high | 85.6 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 155.6 | 178.1 | -65.2 | 171.7 | 0 | 0 | 0 | 111.2 | P638 F711 T730 S731 W732 S733 R741 | P638-L713 HydrophobicContact CB-CB 4.11Å; P638-L713 HydrophobicContact CG-CB 4.4Å; F711-L713 WeakPolarHBondContact O-CG 3.34Å; F711-L713 PolarHBondContact O-N 2.9Å; L713-T730 HydrophobicContact CB-CG2 4.05Å; L713-T730 HydrophobicContact CD1-CG2 4.23Å; L713-T730 HydrophobicContact CD2-CG2 4.38Å; L713-T730 HydrophobicContact CG-CG2 4.46Å; L713-S731 WeakPolarHBondContact CA-O 3.36Å; L713-S731 WeakPolarHBondContact CD2-O 3.46Å; L713-W732 HydrophobicContact CD2-CD2 3.95Å; L713-W732 HydrophobicContact CD2-CE3 3.71Å; L713-W732 HydrophobicContact CD2-CG 4.47Å; L713-W732 HydrophobicContact CD2-CZ3 4.03Å; L713-W732 HydrophobicContact CG-CE3 4.36Å; L713-W732 HydrophobicContact CG-CZ3 4.38Å; L713-S733 PolarHBondContact O-OG 3.07Å; L713-R741 PolarHBondContact O-NH1 3.21Å; L713-R741 VanDerWaalsContact O-NH1 3.09Å |
| 714 | S | 87.3 | Confident | 85.5 | Confident | 18 Ų | 18 | 24 Ų | 24 | 13% | 0.126 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 145.4 | 174.9 | 39.8 | 0 | 0 | 0 | 0 | 110.2 | T730 S731 S733 | S714-T730 CarbonylContact O-C 3.59Å; S714-T730 WeakPolarHBondContact O-CA 3.49Å; S714-S731 PolarHBondContact N-O 2.85Å; S714-S731 PolarHBondContact O-N 3.32Å; S714-S731 PolarHBondContact OG-OG 2.98Å; S714-S733 WeakPolarHBondContact CB-OG 3.46Å; S714-S733 PolarHBondContact N-OG 3.38Å; S714-S733 PolarHBondContact OG-OG 3Å |
| 715 | R | 83.2 | Confident | 84.9 | Confident | 111 Ų | 111 | 23.2 Ų | 23.2 | 42% | 0.419 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.4 | 177.4 | -165.6 | 178.3 | -172.3 | -153.6 | -2.8 | 111 | P638 S729 | P638-R715 HydrophobicContact CB-CB 4.45Å; P638-R715 WeakPolarHBondContact O-CB 3.47Å; R715-S729 CarbonylContact C-O 3.45Å; R715-S729 VanDerWaalsContact CA-O 3.28Å; R715-S729 WeakPolarHBondContact CA-O 3.48Å |
| 716 | T | 76.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 23.3 Ų | 23.3 | 25% | 0.252 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.1 | -174 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | L718 S729 | T716-L718 HydrophobicContact CG2-CD2 4.07Å; T716-S729 PolarHBondContact N-O 3.5Å; T716-S729 PolarHBondContact O-N 2.95Å |
| 717 | K | 76.5 | Confident | 83.4 | Confident | 98 Ų | 98 | 23.5 Ų | 23.5 | 43% | 0.426 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 120 | 167.8 | -166.6 | -178.4 | -172.6 | -178.2 | 0 | 107.9 | T726 Y728 E1029 | K717-T726 HydrophobicContact CD-CG2 4.33Å; K717-T726 HydrophobicContact CG-CG2 4.01Å; K717-Y728 HydrophobicContact CB-CD1 4.29Å; K717-Y728 HydrophobicContact CB-CE1 4.03Å; K717-Y728 HydrophobicContact CD-CE1 4.15Å; K717-Y728 WeakPolarHBondContact CE-OH 3.33Å; K717-Y728 HydrophobicContact CG-CD1 4.35Å; K717-Y728 HydrophobicContact CG-CE1 3.82Å; K717-E1029 VanDerWaalsContact CE-OE1 3.31Å; K717-E1029 WeakPolarHBondContact CE-OE1 3.33Å; K717-E1029 IonicContact NZ-OE1 3.26Å; K717-E1029 PolarHBondContact NZ-OE1 3.26Å |
| 718 | L | 74.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 27.4 Ų | 27.4 | 12% | 0.12 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.5 | 171.9 | -59.1 | 177.7 | 0 | 0 | 0 | 108.1 | A206 T716 S727 | A206-L718 HydrophobicContact CB-CD1 4.14Å; T716-L718 HydrophobicContact CG2-CD2 4.07Å; L718-S727 PolarHBondContact N-O 3.48Å; L718-S727 PolarHBondContact O-N 2.98Å |
| 719 | F | 72.9 | Confident | 81.3 | Confident | 63 Ų | 63 | 27.7 Ų | 27.7 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128 | 178.9 | 178.4 | -89.6 | 0 | 0 | 0 | 109.3 | A721 N724 P777 | F719-A721 HydrophobicContact CD1-CB 4.37Å; F719-A721 VanDerWaalsContact CE1-CA 3.48Å; F719-A721 HydrophobicContact CE1-CB 3.83Å; F719-N724 WeakPolarHBondContact CE2-OD1 3.49Å; F719-N724 WeakPolarHBondContact CZ-OD1 3.4Å; F719-P777 HydrophobicContact CD1-CG 3.31Å; F719-P777 HydrophobicContact CE1-CG 3.38Å; F719-P777 HydrophobicContact CG-CG 4.04Å; F719-P777 HydrophobicContact CZ-CG 4.17Å |
| 720 | T | 75.2 | Confident | 80.5 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 9% | 0.092 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 105.3 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 108.5 | R722 N723 N724 L725 | T720-R722 HydrophobicContact CG2-CG 3.88Å; T720-N723 WeakPolarHBondContact CB-OD1 3.28Å; T720-N723 WeakPolarHBondContact CG2-OD1 3.25Å; T720-N723 PolarHBondContact O-N 2.93Å; T720-N723 PolarHBondContact O-OD1 3.37Å; T720-N723 VanDerWaalsContact O-OD1 3.11Å; T720-N724 PolarHBondContact O-N 3.21Å; T720-N724 VanDerWaalsContact O-N 3.11Å; T720-L725 PolarHBondContact N-O 3.27Å; T720-L725 PolarHBondContact O-N 3.11Å |
| 721 | A | 68.7 | Low | 79.8 | Confident | 38 Ų | 38 | 30.2 Ų | 30.2 | 31% | 0.314 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -63.8 | -47.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F719 N723 N724 E811 | F719-A721 HydrophobicContact CD1-CB 4.37Å; F719-A721 VanDerWaalsContact CE1-CA 3.48Å; F719-A721 HydrophobicContact CE1-CB 3.83Å; A721-N723 PolarHBondContact O-N 3.2Å; A721-N724 PolarHBondContact O-N 2.82Å; A721-E811 WeakPolarHBondContact CB-OE2 3.37Å |
| 722 | R | 74.7 | Confident | 79.4 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -51.7 | -21.4 | -178.9 | 64.5 | 178.3 | -179.9 | 81.5 | 3.6 | 115.9 | E138 V140 D141 L142 T720 | E138-R722 VanDerWaalsContact O-CZ 3.29Å; E138-R722 PolarHBondContact O-NH1 3.41Å; E138-R722 PolarHBondContact O-NH2 2.88Å; V140-R722 PolarHBondContact O-NH1 3.4Å; D141-R722 CarbonylContact C-O 3.58Å; D141-R722 WeakPolarHBondContact CA-O 3.3Å; L142-R722 WeakPolarHBondContact CB-O 3.34Å; L142-R722 PolarHBondContact N-O 2.92Å; T720-R722 HydrophobicContact CG2-CG 3.88Å |
| 723 | N | 74.2 | Confident | 79.3 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -134 | 15.5 | 177.6 | 58.4 | 14.7 | 0 | 0 | 0 | 113.4 | A137 E138 V140 T720 A721 L725 K1030 | A137-N723 PolarHBondContact O-ND2 3.13Å; E138-N723 PolarHBondContact O-ND2 2.95Å; V140-N723 HydrophobicContact CB-CB 4.13Å; T720-N723 WeakPolarHBondContact CB-OD1 3.28Å; T720-N723 WeakPolarHBondContact CG2-OD1 3.25Å; T720-N723 PolarHBondContact O-N 2.93Å; T720-N723 PolarHBondContact O-OD1 3.37Å; T720-N723 VanDerWaalsContact O-OD1 3.11Å; A721-N723 PolarHBondContact O-N 3.2Å; N723-L725 PolarHBondContact O-N 3.19Å; N723-L725 WeakPolarHBondContact OD1-CB 3.38Å; N723-L725 PolarHBondContact OD1-N 2.84Å; N723-K1030 WeakPolarHBondContact O-CE 3.4Å; N723-K1030 PolarHBondContact O-NZ 2.85Å |
| 724 | N | 77.9 | Confident | 79.2 | Confident | 40 Ų | 40 | 31.4 Ų | 31.4 | 21% | 0.214 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 31.1 | -178.5 | -151.6 | 21.4 | 0 | 0 | 0 | 114.8 | F719 T720 A721 N987 | F719-N724 WeakPolarHBondContact CE2-OD1 3.49Å; F719-N724 WeakPolarHBondContact CZ-OD1 3.4Å; T720-N724 PolarHBondContact O-N 3.21Å; T720-N724 VanDerWaalsContact O-N 3.11Å; A721-N724 PolarHBondContact O-N 2.82Å; N724-N987 PolarHBondContact ND2-OD1 3.25Å |
| 725 | L | 78.7 | Confident | 79.4 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 121.2 | -179.9 | -81.5 | 173.2 | 0 | 0 | 0 | 111.4 | E138 T720 N723 K1030 R1032 V1036 | E138-L725 HydrophobicContact CG-CD1 4.14Å; T720-L725 PolarHBondContact N-O 3.27Å; T720-L725 PolarHBondContact O-N 3.11Å; N723-L725 PolarHBondContact O-N 3.19Å; N723-L725 WeakPolarHBondContact OD1-CB 3.38Å; N723-L725 PolarHBondContact OD1-N 2.84Å; L725-K1030 HydrophobicContact CD2-CB 4.23Å; L725-K1030 HydrophobicContact CD2-CD 4.12Å; L725-K1030 HydrophobicContact CD2-CG 3.78Å; L725-R1032 HydrophobicContact CD2-CB 4.44Å; L725-V1036 HydrophobicContact CD2-CG1 4.07Å; L725-V1036 HydrophobicContact CD2-CG2 4.38Å |
| 726 | T | 79.9 | Confident | 79.5 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.2 | 164.3 | -73.6 | 0 | 0 | 0 | 0 | 109.4 | K717 Y728 K1030 I1031 R1032 | K717-T726 HydrophobicContact CD-CG2 4.33Å; K717-T726 HydrophobicContact CG-CG2 4.01Å; T726-Y728 HydrophobicContact CG2-CD2 4.29Å; T726-Y728 HydrophobicContact CG2-CE2 3.66Å; T726-K1030 PolarHBondContact N-O 2.88Å; T726-I1031 CarbonylContact O-C 3.58Å; T726-I1031 WeakPolarHBondContact O-CA 3.44Å; T726-R1032 PolarHBondContact O-N 3.2Å |
| 727 | S | 77.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.9 | 170.9 | 82.2 | 0 | 0 | 0 | 0 | 112.6 | L718 R1032 | L718-S727 PolarHBondContact N-O 3.48Å; L718-S727 PolarHBondContact O-N 2.98Å; S727-R1032 PolarHBondContact OG-NE 2.74Å; S727-R1032 PolarHBondContact OG-NH2 3.45Å; S727-R1032 VanDerWaalsContact OG-NH2 3.08Å |
| 728 | Y | 77.4 | Confident | 80.9 | Confident | 83 Ų | 83 | 22.1 Ų | 22.1 | 33% | 0.325 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 97.4 | -179.4 | -68.3 | -86.2 | 0 | 0 | 0 | 109.7 | K717 T726 E1029 I1031 | K717-Y728 HydrophobicContact CB-CD1 4.29Å; K717-Y728 HydrophobicContact CB-CE1 4.03Å; K717-Y728 HydrophobicContact CD-CE1 4.15Å; K717-Y728 WeakPolarHBondContact CE-OH 3.33Å; K717-Y728 HydrophobicContact CG-CD1 4.35Å; K717-Y728 HydrophobicContact CG-CE1 3.82Å; T726-Y728 HydrophobicContact CG2-CD2 4.29Å; T726-Y728 HydrophobicContact CG2-CE2 3.66Å; Y728-E1029 PolarHBondContact OH-OE2 3.08Å; Y728-I1031 HydrophobicContact CD2-CG2 4.16Å; Y728-I1031 HydrophobicContact CE2-CG2 4.24Å |
| 729 | S | 73.4 | Confident | 81.6 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 4% | 0.035 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.8 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | V178 R715 T716 | V178-S729 WeakPolarHBondContact CB-OG 3.48Å; V178-S729 WeakPolarHBondContact CG1-OG 3.23Å; R715-S729 CarbonylContact C-O 3.45Å; R715-S729 VanDerWaalsContact CA-O 3.28Å; R715-S729 WeakPolarHBondContact CA-O 3.48Å; T716-S729 PolarHBondContact N-O 3.5Å; T716-S729 PolarHBondContact O-N 2.95Å |
| 730 | T | 81.8 | Confident | 82.3 | Confident | 23 Ų | 23 | 20.8 Ų | 20.8 | 14% | 0.141 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 103.6 | 168.9 | -54.3 | 0 | 0 | 0 | 0 | 108.4 | G179 P638 L713 S714 | G179-T730 WeakPolarHBondContact CA-O 3.43Å; G179-T730 PolarHBondContact N-O 2.92Å; P638-T730 HydrophobicContact CB-CG2 3.81Å; P638-T730 HydrophobicContact CG-CG2 4.34Å; L713-T730 HydrophobicContact CB-CG2 4.05Å; L713-T730 HydrophobicContact CD1-CG2 4.23Å; L713-T730 HydrophobicContact CD2-CG2 4.38Å; L713-T730 HydrophobicContact CG-CG2 4.46Å; S714-T730 CarbonylContact O-C 3.59Å; S714-T730 WeakPolarHBondContact O-CA 3.49Å |
| 731 | S | 82.5 | Confident | 83.1 | Confident | 30 Ų | 30 | 20.2 Ų | 20.2 | 21% | 0.21 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 164.9 | 176.4 | 71.3 | 0 | 0 | 0 | 0 | 110.9 | L713 S714 | L713-S731 WeakPolarHBondContact CA-O 3.36Å; L713-S731 WeakPolarHBondContact CD2-O 3.46Å; S714-S731 PolarHBondContact N-O 2.85Å; S714-S731 PolarHBondContact O-N 3.32Å; S714-S731 PolarHBondContact OG-OG 2.98Å |
| 732 | W | 88.5 | Confident | 84.2 | Confident | 33 Ų | 33 | 21.8 Ų | 21.8 | 13% | 0.125 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 147.2 | 151.2 | -67.3 | 112.4 | 0 | 0 | 0 | 110.1 | E609 C712 L713 C757 R761 L765 | E609-W732 HydrophobicContact CB-CZ2 3.95Å; E609-W732 HydrophobicContact CG-CZ2 4.3Å; E609-W732 WeakPolarHBondContact O-CH2 3.41Å; E609-W732 WeakPolarHBondContact O-CZ2 3.17Å; C712-W732 HydrophobicContact CB-CE3 4.11Å; C712-W732 HydrophobicContact CB-CZ3 3.97Å; L713-W732 HydrophobicContact CD2-CD2 3.95Å; L713-W732 HydrophobicContact CD2-CE3 3.71Å; L713-W732 HydrophobicContact CD2-CG 4.47Å; L713-W732 HydrophobicContact CD2-CZ3 4.03Å; L713-W732 HydrophobicContact CG-CE3 4.36Å; L713-W732 HydrophobicContact CG-CZ3 4.38Å; W732-C757 HydrophobicContact CH2-CB 3.87Å; W732-C757 HydrophobicContact CZ3-CB 3.67Å; W732-R761 HydrophobicContact CD2-CG 4.16Å; W732-R761 HydrophobicContact CE3-CG 4.44Å; W732-R761 HydrophobicContact CH2-CG 3.96Å; W732-R761 HydrophobicContact CZ2-CG 3.59Å; W732-R761 HydrophobicContact CZ3-CG 4.38Å; W732-L765 HydrophobicContact CB-CD2 3.57Å; W732-L765 HydrophobicContact CD2-CD2 4.26Å; W732-L765 HydrophobicContact CG-CD2 3.86Å |
| 733 | S | 91.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 154.9 | 168.1 | -55 | 0 | 0 | 0 | 0 | 110 | C712 L713 S714 R741 | C712-S733 PolarHBondContact O-N 3.08Å; C712-S733 PolarHBondContact O-OG 2.92Å; L713-S733 PolarHBondContact O-OG 3.07Å; S714-S733 WeakPolarHBondContact CB-OG 3.46Å; S714-S733 PolarHBondContact N-OG 3.38Å; S714-S733 PolarHBondContact OG-OG 3Å; S733-R741 PolarHBondContact OG-NH1 3.4Å; S733-R741 PolarHBondContact OG-NH2 2.93Å |
| 734 | S | 89.8 | Confident | 85.4 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 164.1 | -179.6 | 71 | 0 | 0 | 0 | 0 | 112.3 | T736 N737 L738 E766 H768 | S734-T736 PolarHBondContact O-N 2.96Å; S734-N737 WeakPolarHBondContact CB-OD1 3.38Å; S734-N737 PolarHBondContact N-OD1 2.91Å; S734-N737 WeakPolarHBondContact O-CA 3.29Å; S734-N737 WeakPolarHBondContact O-CB 3.17Å; S734-N737 PolarHBondContact O-N 2.96Å; S734-N737 VanDerWaalsContact OG-CG 3.26Å; S734-N737 PolarHBondContact OG-N 3.13Å; S734-N737 PolarHBondContact OG-OD1 3.05Å; S734-L738 PolarHBondContact O-N 3.11Å; S734-L738 VanDerWaalsContact O-N 3.14Å; S734-E766 CarbonylContact C-O 3.59Å; S734-E766 VanDerWaalsContact CA-O 3.22Å; S734-E766 WeakPolarHBondContact CA-O 3.44Å; S734-E766 WeakPolarHBondContact CB-O 3.39Å; S734-H768 VanDerWaalsContact CB-C 3.48Å |
| 735 | K | 91.4 | Very high | 86 | Confident | 38 Ų | 38 | 19.9 Ų | 19.9 | 17% | 0.165 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.4 | -41.8 | 175.5 | -65.7 | 175.8 | 175.2 | 166.9 | 0 | 111.5 | N737 L738 E739 F762 D763 L765 E766 Q767 | K735-N737 VanDerWaalsContact C-N 3.3Å; K735-N737 PolarHBondContact O-N 3.33Å; K735-L738 PolarHBondContact O-N 3.29Å; K735-E739 WeakPolarHBondContact O-CG 3.33Å; K735-E739 PolarHBondContact O-N 3.45Å; K735-F762 HydrophobicContact CD-CZ 4.48Å; K735-F762 WeakPolarHBondContact CE-O 3.48Å; K735-F762 HydrophobicContact CG-CE2 4.21Å; K735-F762 HydrophobicContact CG-CZ 4.2Å; K735-D763 PolarHBondContact NZ-O 2.87Å; K735-L765 VanDerWaalsContact CE-O 3.27Å; K735-L765 WeakPolarHBondContact CE-O 3.4Å; K735-L765 HydrophobicContact CG-CB 3.8Å; K735-E766 PolarHBondContact N-O 2.8Å; K735-Q767 VanDerWaalsContact CD-OE1 3.28Å |
| 736 | T | 86.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -52.4 | -43.4 | 171.4 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | T522 S734 Q740 Q767 H768 | T522-T736 WeakPolarHBondContact OG1-CG2 3.34Å; S734-T736 PolarHBondContact O-N 2.96Å; T736-Q740 WeakPolarHBondContact O-CB 3.35Å; T736-Q740 WeakPolarHBondContact O-CG 3.31Å; T736-Q740 PolarHBondContact O-N 3.22Å; T736-Q767 WeakPolarHBondContact CB-O 3.4Å; T736-Q767 PolarHBondContact N-O 3.37Å; T736-Q767 PolarHBondContact OG1-O 2.8Å; T736-H768 PolarHBondContact OG1-CE1 2.96Å; T736-H768 PolarHBondContact OG1-ND1 2.85Å |
| 737 | N | 89.8 | Confident | 86.2 | Confident | 29 Ų | 29 | 21.1 Ų | 21.1 | 16% | 0.155 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.9 | -42 | 180 | -57.1 | 122.2 | 0 | 0 | 0 | 111 | E697 S734 K735 E739 Q740 R741 | E697-N737 WeakPolarHBondContact OE1-CA 3.49Å; E697-N737 WeakPolarHBondContact OE1-CB 3.48Å; E697-N737 VanDerWaalsContact OE1-CG 3.3Å; E697-N737 PolarHBondContact OE1-ND2 3.39Å; S734-N737 WeakPolarHBondContact CB-OD1 3.38Å; S734-N737 PolarHBondContact N-OD1 2.91Å; S734-N737 WeakPolarHBondContact O-CA 3.29Å; S734-N737 WeakPolarHBondContact O-CB 3.17Å; S734-N737 PolarHBondContact O-N 2.96Å; S734-N737 VanDerWaalsContact OG-CG 3.26Å; S734-N737 PolarHBondContact OG-N 3.13Å; S734-N737 PolarHBondContact OG-OD1 3.05Å; K735-N737 VanDerWaalsContact C-N 3.3Å; K735-N737 PolarHBondContact O-N 3.33Å; N737-E739 VanDerWaalsContact C-N 3.35Å; N737-E739 PolarHBondContact O-N 3.44Å; N737-Q740 WeakPolarHBondContact O-CB 3.25Å; N737-Q740 PolarHBondContact O-N 3.12Å; N737-R741 VanDerWaalsContact O-CG 3.28Å; N737-R741 WeakPolarHBondContact O-CG 3.48Å; N737-R741 PolarHBondContact O-N 3.28Å |
| 738 | L | 92.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 176.8 | -88.7 | 59.7 | 0 | 0 | 0 | 111.6 | D710 C712 S734 K735 R741 R742 F762 L765 | D710-L738 WeakPolarHBondContact OD2-CG 3.42Å; C712-L738 HydrophobicContact CB-CD1 4.01Å; C712-L738 HydrophobicContact CB-CD2 4.22Å; C712-L738 HydrophobicContact CB-CG 4.32Å; S734-L738 PolarHBondContact O-N 3.11Å; S734-L738 VanDerWaalsContact O-N 3.14Å; K735-L738 PolarHBondContact O-N 3.29Å; L738-R741 PolarHBondContact O-N 2.9Å; L738-R742 WeakPolarHBondContact O-CB 3.46Å; L738-R742 PolarHBondContact O-N 2.69Å; L738-F762 HydrophobicContact CD2-CD2 3.64Å; L738-F762 HydrophobicContact CD2-CE2 3.86Å; L738-L765 HydrophobicContact CD1-CD1 4.42Å; L738-L765 HydrophobicContact CD2-CD1 3.65Å |
| 739 | E | 88.7 | Confident | 86.6 | Confident | 58 Ų | 58 | 24.9 Ų | 24.9 | 27% | 0.271 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -63.4 | -41 | 174 | -70.1 | 177.9 | 163.6 | 0 | 0 | 112.3 | T522 K735 N737 G743 | T522-E739 HydrophobicContact CG2-CB 4.2Å; T522-E739 WeakPolarHBondContact CG2-OE2 3.45Å; K735-E739 WeakPolarHBondContact O-CG 3.33Å; K735-E739 PolarHBondContact O-N 3.45Å; N737-E739 VanDerWaalsContact C-N 3.35Å; N737-E739 PolarHBondContact O-N 3.44Å; E739-G743 PolarHBondContact O-N 3.22Å |
| 740 | Q | 87.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 174.7 | -85.1 | -74.8 | 15.8 | 0 | 0 | 113.2 | H491 E697 T736 N737 G743 R744 | H491-Q740 PolarHBondContact CE1-NE2 2.7Å; H491-Q740 PolarHBondContact NE2-NE2 3.49Å; E697-Q740 HydrophobicContact CG-CB 3.74Å; E697-Q740 PolarHBondContact O-OE1 2.99Å; T736-Q740 WeakPolarHBondContact O-CB 3.35Å; T736-Q740 WeakPolarHBondContact O-CG 3.31Å; T736-Q740 PolarHBondContact O-N 3.22Å; N737-Q740 WeakPolarHBondContact O-CB 3.25Å; N737-Q740 PolarHBondContact O-N 3.12Å; Q740-G743 PolarHBondContact O-N 2.78Å; Q740-R744 PolarHBondContact O-NE 3.44Å |
| 741 | R | 92.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69 | -47.8 | 175 | -68.9 | 176.4 | -169.7 | 175 | 14.1 | 112.2 | F636 E697 D710 L713 S733 N737 L738 G743 R744 | F636-R741 HydrophobicContact CD1-CG 3.93Å; F636-R741 HydrophobicContact CD2-CB 3.74Å; F636-R741 HydrophobicContact CD2-CG 3.65Å; F636-R741 HydrophobicContact CE1-CG 3.93Å; F636-R741 HydrophobicContact CE2-CB 3.64Å; F636-R741 HydrophobicContact CE2-CG 3.65Å; F636-R741 HydrophobicContact CG-CB 4.37Å; F636-R741 HydrophobicContact CG-CG 3.79Å; F636-R741 HydrophobicContact CZ-CB 4.2Å; F636-R741 HydrophobicContact CZ-CG 3.79Å; E697-R741 HydrophobicContact CB-CG 4.47Å; E697-R741 HydrophobicContact CG-CG 3.89Å; E697-R741 IonicContact OE2-CZ 3.26Å; E697-R741 IonicContact OE2-NE 3.58Å; E697-R741 PolarHBondContact OE2-NE 3Å; E697-R741 IonicContact OE2-NH2 2.92Å; E697-R741 PolarHBondContact OE2-NH2 3.41Å; D710-R741 WeakPolarHBondContact OD1-CD 3.3Å; D710-R741 IonicContact OD1-CZ 2.69Å; D710-R741 IonicContact OD1-NE 3.88Å; D710-R741 IonicContact OD1-NH1 2.77Å; D710-R741 PolarHBondContact OD1-NH1 2.87Å; D710-R741 WeakPolarHBondContact OD2-CD 3.45Å; D710-R741 IonicContact OD2-NH1 2.85Å; L713-R741 PolarHBondContact O-NH1 3.21Å; L713-R741 VanDerWaalsContact O-NH1 3.09Å; S733-R741 PolarHBondContact OG-NH1 3.4Å; S733-R741 PolarHBondContact OG-NH2 2.93Å; N737-R741 VanDerWaalsContact O-CG 3.28Å; N737-R741 WeakPolarHBondContact O-CG 3.48Å; N737-R741 PolarHBondContact O-N 3.28Å; L738-R741 PolarHBondContact O-N 2.9Å; R741-G743 PolarHBondContact O-N 3.39Å; R741-R744 WeakPolarHBondContact O-CB 3.38Å; R741-R744 PolarHBondContact O-N 3.19Å |
| 742 | R | 91.4 | Very high | 88.8 | Confident | 70 Ų | 70 | 26.8 Ų | 26.8 | 26% | 0.264 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -53.1 | -43.4 | 171.9 | -177.1 | -179.2 | 66.9 | -171.6 | -4.5 | 110.6 | V547 L738 R744 A745 A753 | V547-R742 HydrophobicContact CB-CG 4.07Å; V547-R742 HydrophobicContact CG1-CG 3.65Å; L738-R742 WeakPolarHBondContact O-CB 3.46Å; L738-R742 PolarHBondContact O-N 2.69Å; R742-R744 PolarHBondContact O-N 3.36Å; R742-A745 PolarHBondContact O-N 3.44Å; R742-A753 HydrophobicContact CB-CB 4.28Å; R742-A753 HydrophobicContact CG-CB 3.87Å |
| 743 | G | 86.2 | Confident | 89.2 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 12.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | T390 E739 Q740 R741 R747 | T390-G743 WeakPolarHBondContact OG1-CA 3.44Å; E739-G743 PolarHBondContact O-N 3.22Å; Q740-G743 PolarHBondContact O-N 2.78Å; R741-G743 PolarHBondContact O-N 3.39Å; G743-R747 PolarHBondContact O-NE 2.91Å; G743-R747 PolarHBondContact O-NH2 2.92Å |
| 744 | R | 89 | Confident | 89.5 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -22.2 | 166.6 | -53.4 | -62.1 | 138.7 | 168.7 | -7 | 112.3 | E489 L634 F636 A696 E697 S698 I700 V705 V708 Q740 R741 R742 | E489-R744 IonicContact OE1-NH2 3.24Å; L634-R744 HydrophobicContact CD2-CB 3.71Å; L634-R744 HydrophobicContact CD2-CG 4.14Å; F636-R744 HydrophobicContact CE2-CG 4.27Å; F636-R744 HydrophobicContact CZ-CG 4.06Å; A696-R744 WeakPolarHBondContact O-CD 3.49Å; E697-R744 PolarHBondContact O-NE 2.95Å; E697-R744 PolarHBondContact O-NH2 3.39Å; S698-R744 VanDerWaalsContact C-NH1 3.3Å; I700-R744 PolarHBondContact O-NH1 2.87Å; V705-R744 WeakPolarHBondContact CG1-O 3.32Å; V708-R744 HydrophobicContact CG2-CB 4.26Å; Q740-R744 PolarHBondContact O-NE 3.44Å; R741-R744 WeakPolarHBondContact O-CB 3.38Å; R741-R744 PolarHBondContact O-N 3.19Å; R742-R744 PolarHBondContact O-N 3.36Å |
| 745 | A | 89.7 | Confident | 89.9 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -78.3 | 175.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V547 V708 R742 R747 | V547-A745 HydrophobicContact CG1-CB 3.96Å; V547-A745 HydrophobicContact CG2-CB 3.88Å; V708-A745 HydrophobicContact CG2-CB 3.95Å; R742-A745 PolarHBondContact O-N 3.44Å; A745-R747 PolarHBondContact O-N 2.99Å |
| 746 | G | 84.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 78.6 | -18.6 | 173 | 0 | 0 | 0 | 0 | 0 | 116 | T544 H545 V748 R749 | T544-G746 WeakPolarHBondContact CB-O 3.4Å; H545-G746 VanDerWaalsContact CB-O 3.26Å; H545-G746 WeakPolarHBondContact CB-O 3.22Å; H545-G746 PolarHBondContact CD2-O 2.87Å; H545-G746 PolarHBondContact N-O 2.95Å; H545-G746 VanDerWaalsContact O-CA 3.22Å; H545-G746 WeakPolarHBondContact O-CA 3.4Å; G746-V748 PolarHBondContact O-N 3.23Å; G746-R749 CarbonylContact C-O 3.47Å; G746-R749 VanDerWaalsContact C-O 3.26Å; G746-R749 WeakPolarHBondContact CA-O 3.31Å |
| 747 | R | 78.6 | Confident | 90.5 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 14% | 0.143 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -58.8 | -43.3 | -166.2 | -66.5 | -166.4 | 172.1 | -148.3 | -12 | 115.6 | I700 T701 G743 A745 | I700-R747 PolarHBondContact O-NH1 2.86Å; T701-R747 PolarHBondContact OG1-NH1 3.38Å; G743-R747 PolarHBondContact O-NE 2.91Å; G743-R747 PolarHBondContact O-NH2 2.92Å; A745-R747 PolarHBondContact O-N 2.99Å |
| 748 | V | 76.8 | Confident | 90.8 | Very high | 78 Ų | 78 | 22.1 Ų | 22.1 | 47% | 0.473 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -117.7 | -8.1 | -177.3 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | H545 N703 G746 | H545-V748 VanDerWaalsContact CD2-C 3.4Å; H545-V748 PolarHBondContact NE2-O 2.98Å; N703-V748 WeakPolarHBondContact O-CG2 3.16Å; G746-V748 PolarHBondContact O-N 3.23Å |
| 749 | R | 85.9 | Confident | 90.9 | Very high | 88 Ų | 88 | 27 Ų | 27 | 33% | 0.332 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -170.4 | 162.9 | 177.2 | 61.2 | -173.3 | 159.3 | -176.5 | -4.3 | 109.1 | H545 P630 V706 G746 | H545-R749 PolarHBondContact CD2-N 3.05Å; P630-R749 PolarHBondContact O-NH1 2.82Å; P630-R749 PolarHBondContact O-NH2 2.86Å; V706-R749 HydrophobicContact CG2-CG 4.09Å; G746-R749 CarbonylContact C-O 3.47Å; G746-R749 VanDerWaalsContact C-O 3.26Å; G746-R749 WeakPolarHBondContact CA-O 3.31Å |
| 750 | P | 91.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 25.4 Ų | 25.4 | 46% | 0.461 | 12% | 0.122 | S | C | . | . | trans | -53.8 | 151.9 | 177.8 | -25.2 | 34 | 0 | 0 | 0 | 112.6 | H545 P546 | H545-P750 HydrophobicContact CB-CB 4.43Å; H545-P750 HydrophobicContact CB-CG 3.98Å; H545-P750 VanDerWaalsContact CB-N 3.27Å; P546-P750 HydrophobicContact CG-CB 4.4Å; P546-P750 HydrophobicContact CG-CG 4.45Å; P546-P750 VanDerWaalsContact O-CA 3.32Å; P546-P750 WeakPolarHBondContact O-CA 3.09Å | ||
| 751 | G | 94.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -174.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P546 V547 E548 V706 | P546-G751 PolarHBondContact O-N 3.4Å; V547-G751 CarbonylContact C-O 3.56Å; V547-G751 VanDerWaalsContact CA-O 3.31Å; V547-G751 WeakPolarHBondContact CA-O 3.35Å; E548-G751 PolarHBondContact N-O 3.27Å; V706-G751 CarbonylContact O-C 3.38Å; V706-G751 WeakPolarHBondContact O-CA 3.39Å |
| 752 | F | 97.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.4 | -172.5 | -55.5 | -87.6 | 0 | 0 | 0 | 111.1 | E548 Y550 M627 I629 V706 F707 V708 F754 | E548-F752 HydrophobicContact CB-CD1 3.99Å; E548-F752 HydrophobicContact CB-CE1 4.27Å; E548-F752 CarbonylContact O-C 3.58Å; E548-F752 VanDerWaalsContact O-CA 3.25Å; E548-F752 WeakPolarHBondContact O-CA 3.4Å; Y550-F752 HydrophobicContact CE2-CD1 4.1Å; M627-F752 HydrophobicContact CE-CD1 4.01Å; M627-F752 HydrophobicContact CE-CE1 3.74Å; M627-F752 HydrophobicContact CE-CE2 4.27Å; M627-F752 HydrophobicContact CE-CG 4.39Å; M627-F752 HydrophobicContact CE-CZ 3.89Å; I629-F752 HydrophobicContact CD1-CE2 3.71Å; I629-F752 HydrophobicContact CD1-CZ 3.82Å; V706-F752 HydrophobicContact CG1-CD2 4.34Å; V706-F752 PolarHBondContact O-N 3.27Å; F707-F752 CarbonylContact C-O 3.6Å; F707-F752 WeakPolarHBondContact CA-O 3.39Å; F707-F752 HydrophobicContact CD1-CB 4.05Å; F707-F752 AromaticContact CD1-CD2 3.7Å; F707-F752 HydrophobicContact CD1-CD2 3.7Å; F707-F752 HydrophobicContact CD1-CG 4.23Å; F707-F752 AromaticContact CE1-CD2 3.48Å; F707-F752 HydrophobicContact CE1-CD2 3.48Å; F707-F752 VanDerWaalsContact CE1-CD2 3.48Å; F707-F752 HydrophobicContact CE1-CE2 4.01Å; F707-F752 HydrophobicContact CE1-CG 4.31Å; F707-F752 HydrophobicContact CZ-CD2 4.43Å; V708-F752 PolarHBondContact N-O 2.88Å; F752-F754 HydrophobicContact CB-CE2 3.87Å; F752-F754 HydrophobicContact CB-CZ 4.03Å |
| 753 | A | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V547 E548 Y549 Y550 V708 R742 | V547-A753 HydrophobicContact CG1-CB 3.86Å; E548-A753 PolarHBondContact O-N 3.05Å; Y549-A753 CarbonylContact C-O 3.52Å; Y549-A753 WeakPolarHBondContact CA-O 3.35Å; Y550-A753 PolarHBondContact N-O 2.92Å; V708-A753 HydrophobicContact CB-CB 4.35Å; V708-A753 CarbonylContact O-C 3.56Å; V708-A753 WeakPolarHBondContact O-CA 3.36Å; R742-A753 HydrophobicContact CB-CB 4.28Å; R742-A753 HydrophobicContact CG-CB 3.87Å |
| 754 | F | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 96.3 | -179.9 | -54.9 | -86.3 | 0 | 0 | 0 | 108.6 | Y550 M558 L620 I624 F707 V708 I709 D710 F752 | Y550-F754 AromaticContact CD2-CD1 3.56Å; Y550-F754 HydrophobicContact CD2-CD1 3.56Å; Y550-F754 AromaticContact CD2-CE1 3.38Å; Y550-F754 HydrophobicContact CD2-CE1 3.38Å; Y550-F754 HydrophobicContact CD2-CG 4.44Å; Y550-F754 HydrophobicContact CD2-CZ 4.14Å; Y550-F754 HydrophobicContact CE2-CD1 4.3Å; Y550-F754 AromaticContact CE2-CE1 3.66Å; Y550-F754 HydrophobicContact CE2-CE1 3.66Å; Y550-F754 HydrophobicContact CE2-CZ 4.09Å; Y550-F754 HydrophobicContact CG-CD1 4.34Å; Y550-F754 HydrophobicContact CG-CE1 4.4Å; M558-F754 HydrophobicContact CE-CE1 4.06Å; M558-F754 HydrophobicContact SD-CE1 3.91Å; L620-F754 HydrophobicContact CD2-CD1 3.9Å; L620-F754 HydrophobicContact CD2-CE1 4.29Å; L620-F754 HydrophobicContact CD2-CG 4.41Å; I624-F754 HydrophobicContact CD1-CD2 4.14Å; I624-F754 HydrophobicContact CD1-CE2 3.66Å; I624-F754 HydrophobicContact CD1-CZ 4.29Å; I624-F754 HydrophobicContact CG1-CE2 3.88Å; I624-F754 HydrophobicContact CG1-CZ 4.08Å; F707-F754 HydrophobicContact CD1-CE2 4.34Å; V708-F754 WeakPolarHBondContact O-CD2 3.38Å; V708-F754 PolarHBondContact O-N 3.42Å; I709-F754 HydrophobicContact CG1-CB 4.39Å; I709-F754 HydrophobicContact CG1-CD2 4.06Å; D710-F754 PolarHBondContact N-O 3.08Å; F752-F754 HydrophobicContact CB-CE2 3.87Å; F752-F754 HydrophobicContact CB-CZ 4.03Å |
| 755 | H | 97.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.7 | 178.4 | -65.1 | -73.7 | 0 | 0 | 0 | 109.3 | Y550 F551 L552 D710 C757 | Y550-H755 PolarHBondContact O-N 3.17Å; F551-H755 CarbonylContact C-O 3.55Å; F551-H755 WeakPolarHBondContact CA-O 3.35Å; F551-H755 HydrophobicContact CD1-CB 4.2Å; F551-H755 HydrophobicContact CE1-CB 4.43Å; L552-H755 PolarHBondContact N-O 3.24Å; D710-H755 IonicContact OD2-CE1 2.71Å; D710-H755 IonicContact OD2-ND1 3.59Å; D710-H755 PolarHBondContact OD2-ND1 2.87Å; H755-C757 PolarHBondContact O-N 3.3Å |
| 756 | L | 96.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | trans | -86.5 | 37.1 | -173 | -52.3 | -174.7 | 0 | 0 | 0 | 112.7 | C555 V612 L620 I709 D710 F711 | C555-L756 HydrophobicContact CB-CD2 4.47Å; V612-L756 HydrophobicContact CG1-CD1 3.63Å; V612-L756 HydrophobicContact CG2-CB 4.12Å; V612-L756 HydrophobicContact CG2-CD1 4.32Å; L620-L756 HydrophobicContact CD1-CD2 3.72Å; I709-L756 HydrophobicContact CG2-CD1 3.75Å; I709-L756 HydrophobicContact CG2-CG 4.22Å; D710-L756 WeakPolarHBondContact O-CB 3.49Å; D710-L756 PolarHBondContact O-N 3.36Å; F711-L756 HydrophobicContact CD2-CD1 3.89Å; F711-L756 HydrophobicContact CE2-CD1 3.96Å | ||
| 757 | C | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -121.2 | 150.4 | 166.7 | 66.6 | 0 | 0 | 0 | 0 | 109.4 | L552 C712 W732 H755 R761 | L552-C757 VanDerWaalsContact CB-C 3.46Å; L552-C757 WeakPolarHBondContact CB-O 3.5Å; L552-C757 PolarHBondContact N-O 2.94Å; C712-C757 HydrophobicContact CB-CB 4.18Å; W732-C757 HydrophobicContact CH2-CB 3.87Å; W732-C757 HydrophobicContact CZ3-CB 3.67Å; H755-C757 PolarHBondContact O-N 3.3Å; C757-R761 HydrophobicContact CB-CB 4.34Å; C757-R761 HydrophobicContact CB-CG 4.16Å |
| 758 | S | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -69.9 | 151.5 | 174.8 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | E553 C588 N589 A760 R761 F762 | E553-S758 VanDerWaalsContact OE2-CA 3.23Å; E553-S758 WeakPolarHBondContact OE2-CA 3.45Å; C588-S758 PolarHBondContact O-OG 2.82Å; N589-S758 WeakPolarHBondContact OD1-CB 3.46Å; N589-S758 PolarHBondContact OD1-OG 2.67Å; S758-A760 PolarHBondContact O-N 3.21Å; S758-R761 CarbonylContact O-C 3.45Å; S758-R761 WeakPolarHBondContact O-CA 3.49Å; S758-R761 WeakPolarHBondContact O-CB 3.5Å; S758-R761 PolarHBondContact O-N 3.42Å; S758-F762 PolarHBondContact O-N 2.94Å | ||
| 759 | R | 95 | Very high | 91.7 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.7 | -37.5 | 177.2 | -174 | 179.8 | -58.5 | -108.8 | 2.2 | 112.4 | F551 E553 D554 R761 F762 D763 | F551-R759 HydrophobicContact CB-CB 4.46Å; F551-R759 HydrophobicContact CD2-CB 4.09Å; F551-R759 HydrophobicContact CD2-CG 4.3Å; F551-R759 HydrophobicContact CE2-CG 4.29Å; F551-R759 HydrophobicContact CG-CB 4.14Å; E553-R759 WeakPolarHBondContact OE1-CB 3.36Å; E553-R759 PolarHBondContact OE1-N 3.04Å; E553-R759 VanDerWaalsContact OE1-N 3.11Å; E553-R759 IonicContact OE1-NE 2.94Å; E553-R759 PolarHBondContact OE2-N 2.79Å; D554-R759 IonicContact OD2-NH2 2.81Å; R759-R761 VanDerWaalsContact C-N 3.25Å; R759-R761 PolarHBondContact O-N 3.06Å; R759-F762 WeakPolarHBondContact O-CB 3.45Å; R759-F762 PolarHBondContact O-N 3.47Å; R759-D763 PolarHBondContact O-N 3.13Å |
| 760 | A | 93.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 21% | 0.207 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -29.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C588 K591 S758 | C588-A760 HydrophobicContact CB-CB 4.15Å; K591-A760 HydrophobicContact CB-CB 3.71Å; S758-A760 PolarHBondContact O-N 3.21Å |
| 761 | R | 92.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 6% | 0.06 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.7 | -44.5 | 169 | 176.6 | 52.5 | 66.7 | 172.9 | 4.6 | 111 | E585 C588 E609 W732 C757 S758 R759 D763 R764 L765 | E585-R761 IonicContact OE2-NH1 3.57Å; C588-R761 HydrophobicContact CB-CB 3.82Å; E609-R761 IonicContact OE1-CZ 3.31Å; E609-R761 VanDerWaalsContact OE1-CZ 3.25Å; E609-R761 IonicContact OE1-NE 3.08Å; E609-R761 PolarHBondContact OE1-NE 3.49Å; E609-R761 IonicContact OE1-NH2 2.99Å; E609-R761 PolarHBondContact OE1-NH2 3.28Å; E609-R761 IonicContact OE2-CZ 3.94Å; E609-R761 IonicContact OE2-NE 3.14Å; E609-R761 IonicContact OE2-NH2 2.71Å; E609-R761 PolarHBondContact OE2-NH2 2.95Å; W732-R761 HydrophobicContact CD2-CG 4.16Å; W732-R761 HydrophobicContact CE3-CG 4.44Å; W732-R761 HydrophobicContact CH2-CG 3.96Å; W732-R761 HydrophobicContact CZ2-CG 3.59Å; W732-R761 HydrophobicContact CZ3-CG 4.38Å; C757-R761 HydrophobicContact CB-CB 4.34Å; C757-R761 HydrophobicContact CB-CG 4.16Å; S758-R761 CarbonylContact O-C 3.45Å; S758-R761 WeakPolarHBondContact O-CA 3.49Å; S758-R761 WeakPolarHBondContact O-CB 3.5Å; S758-R761 PolarHBondContact O-N 3.42Å; R759-R761 VanDerWaalsContact C-N 3.25Å; R759-R761 PolarHBondContact O-N 3.06Å; R761-D763 VanDerWaalsContact C-N 3.31Å; R761-D763 PolarHBondContact O-N 2.92Å; R761-R764 WeakPolarHBondContact O-CB 3.27Å; R761-R764 PolarHBondContact O-N 3.26Å; R761-L765 HydrophobicContact CG-CD2 4.39Å; R761-L765 WeakPolarHBondContact O-CG 3.45Å; R761-L765 PolarHBondContact O-N 2.86Å |
| 762 | F | 94.3 | Very high | 90.8 | Very high | 44 Ų | 44 | 40 Ų | 40 | 19% | 0.193 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.1 | -47.9 | 178.5 | 177.6 | -96.1 | 0 | 0 | 0 | 111.9 | F551 K735 L738 S758 R759 R764 L765 | F551-F762 HydrophobicContact CD1-CB 4.18Å; F551-F762 HydrophobicContact CE1-CB 3.51Å; F551-F762 HydrophobicContact CE1-CD1 4.15Å; F551-F762 AromaticContact CE1-CD2 3.63Å; F551-F762 HydrophobicContact CE1-CD2 3.63Å; F551-F762 HydrophobicContact CE1-CE2 4.4Å; F551-F762 AromaticContact CE1-CG 3.48Å; F551-F762 HydrophobicContact CE1-CG 3.48Å; F551-F762 VanDerWaalsContact CE1-CG 3.48Å; F551-F762 HydrophobicContact CZ-CB 4.05Å; F551-F762 AromaticContact CZ-CD1 3.87Å; F551-F762 HydrophobicContact CZ-CD1 3.87Å; F551-F762 HydrophobicContact CZ-CD2 4Å; F551-F762 HydrophobicContact CZ-CE1 4.33Å; F551-F762 HydrophobicContact CZ-CE2 4.45Å; F551-F762 AromaticContact CZ-CG 3.69Å; F551-F762 HydrophobicContact CZ-CG 3.69Å; K735-F762 HydrophobicContact CD-CZ 4.48Å; K735-F762 WeakPolarHBondContact CE-O 3.48Å; K735-F762 HydrophobicContact CG-CE2 4.21Å; K735-F762 HydrophobicContact CG-CZ 4.2Å; L738-F762 HydrophobicContact CD2-CD2 3.64Å; L738-F762 HydrophobicContact CD2-CE2 3.86Å; S758-F762 PolarHBondContact O-N 2.94Å; R759-F762 WeakPolarHBondContact O-CB 3.45Å; R759-F762 PolarHBondContact O-N 3.47Å; F762-R764 PolarHBondContact O-N 3.09Å; F762-L765 HydrophobicContact CD2-CD1 4.03Å; F762-L765 WeakPolarHBondContact O-CB 3.37Å; F762-L765 WeakPolarHBondContact O-CG 3.25Å; F762-L765 PolarHBondContact O-N 2.89Å |
| 763 | D | 92.1 | Very high | 90.4 | Very high | 100 Ų | 100 | 38.9 Ų | 38.9 | 54% | 0.535 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.1 | -31.4 | -179.5 | -67 | -31.2 | 0 | 0 | 0 | 112.6 | K735 R759 R761 | K735-D763 PolarHBondContact NZ-O 2.87Å; R759-D763 PolarHBondContact O-N 3.13Å; R761-D763 VanDerWaalsContact C-N 3.31Å; R761-D763 PolarHBondContact O-N 2.92Å |
| 764 | R | 88.9 | Confident | 89.8 | Confident | 129 Ų | 129 | 40.4 Ų | 40.4 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.7 | 177.2 | -74.6 | 177.2 | 160.6 | 176.1 | -3.3 | 115.3 | E586 C588 R761 F762 | E586-R764 PolarHBondContact O-NH1 2.84Å; E586-R764 IonicContact OE2-CZ 2.83Å; E586-R764 IonicContact OE2-NH1 3.61Å; E586-R764 PolarHBondContact OE2-NH1 3.21Å; E586-R764 IonicContact OE2-NH2 3.18Å; E586-R764 PolarHBondContact OE2-NH2 3.14Å; C588-R764 PolarHBondContact SG-NH1 3.36Å; R761-R764 WeakPolarHBondContact O-CB 3.27Å; R761-R764 PolarHBondContact O-N 3.26Å; F762-R764 PolarHBondContact O-N 3.09Å |
| 765 | L | 88.2 | Confident | 89 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -69 | 142.8 | 178.5 | -63.2 | 179.3 | 0 | 0 | 0 | 111.9 | W732 K735 L738 R761 F762 | W732-L765 HydrophobicContact CB-CD2 3.57Å; W732-L765 HydrophobicContact CD2-CD2 4.26Å; W732-L765 HydrophobicContact CG-CD2 3.86Å; K735-L765 VanDerWaalsContact CE-O 3.27Å; K735-L765 WeakPolarHBondContact CE-O 3.4Å; K735-L765 HydrophobicContact CG-CB 3.8Å; L738-L765 HydrophobicContact CD1-CD1 4.42Å; L738-L765 HydrophobicContact CD2-CD1 3.65Å; R761-L765 HydrophobicContact CG-CD2 4.39Å; R761-L765 WeakPolarHBondContact O-CG 3.45Å; R761-L765 PolarHBondContact O-N 2.86Å; F762-L765 HydrophobicContact CD2-CD1 4.03Å; F762-L765 WeakPolarHBondContact O-CB 3.37Å; F762-L765 WeakPolarHBondContact O-CG 3.25Å; F762-L765 PolarHBondContact O-N 2.89Å |
| 766 | E | 83.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | trans | -58.4 | 141.8 | 169.7 | -53.3 | -162.8 | 117.2 | 0 | 0 | 109.2 | K174 R204 S734 K735 | K174-E766 IonicContact NZ-OE1 3.95Å; K174-E766 PolarHBondContact NZ-OE1 3.49Å; R204-E766 IonicContact CZ-OE2 3.15Å; R204-E766 IonicContact NH1-OE1 2.75Å; R204-E766 PolarHBondContact NH1-OE1 3.09Å; R204-E766 IonicContact NH1-OE2 2.78Å; R204-E766 PolarHBondContact NH1-OE2 3.49Å; R204-E766 IonicContact NH2-OE1 3.68Å; R204-E766 IonicContact NH2-OE2 2.77Å; R204-E766 PolarHBondContact NH2-OE2 3.34Å; S734-E766 CarbonylContact C-O 3.59Å; S734-E766 VanDerWaalsContact CA-O 3.22Å; S734-E766 WeakPolarHBondContact CA-O 3.44Å; S734-E766 WeakPolarHBondContact CB-O 3.39Å; K735-E766 PolarHBondContact N-O 2.8Å | ||
| 767 | Q | 85 | Confident | 87.5 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -67.2 | -43.5 | -176.5 | -176.5 | 59.8 | 29.7 | 0 | 0 | 111.7 | K735 T736 | K735-Q767 VanDerWaalsContact CD-OE1 3.28Å; T736-Q767 WeakPolarHBondContact CB-O 3.4Å; T736-Q767 PolarHBondContact N-O 3.37Å; T736-Q767 PolarHBondContact OG1-O 2.8Å |
| 768 | H | 82.6 | Confident | 87.2 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -127.6 | 160.2 | 176.6 | -52.3 | -63.3 | 0 | 0 | 0 | 109.6 | T522 S734 T736 | T522-H768 PolarHBondContact O-CE1 2.93Å; T522-H768 VanDerWaalsContact O-CE1 3.32Å; S734-H768 VanDerWaalsContact CB-C 3.48Å; T736-H768 PolarHBondContact OG1-CE1 2.96Å; T736-H768 PolarHBondContact OG1-ND1 2.85Å |
| 769 | A | 81 | Confident | 86.9 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -77.7 | 156.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 770 | T | 80.7 | Confident | 86.4 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 131.2 | 174.7 | -40.6 | 0 | 0 | 0 | 0 | 111.2 | R204 L774 | R204-T770 PolarHBondContact NE-OG1 3.3Å; R204-T770 PolarHBondContact NH1-OG1 2.82Å; R204-T770 PolarHBondContact NH2-OG1 3.26Å; R204-T770 VanDerWaalsContact NH2-OG1 3.13Å; T770-L774 HydrophobicContact CG2-CB 4.49Å; T770-L774 HydrophobicContact CG2-CD1 4.22Å |
| 771 | P | 86.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 141.7 | 172.9 | -25.8 | 33 | 0 | 0 | 0 | 112.6 | R493 I773 L774 Q802 | R493-P771 HydrophobicContact CB-CB 3.98Å; R493-P771 HydrophobicContact CB-CG 4.15Å; R493-P771 HydrophobicContact CG-CG 4.5Å; R493-P771 WeakPolarHBondContact O-CA 3.31Å; P771-I773 HydrophobicContact CB-CG2 4.06Å; P771-I773 PolarHBondContact O-N 3.13Å; P771-L774 HydrophobicContact CB-CD1 4.42Å; P771-L774 HydrophobicContact CB-CG 4.33Å; P771-L774 HydrophobicContact CG-CD1 4.32Å; P771-L774 PolarHBondContact O-N 3.3Å; P771-Q802 VanDerWaalsContact CG-OE1 3.32Å |
| 772 | E | 86.6 | Confident | 86.2 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -68.7 | -35 | -175.5 | -174.1 | 146.9 | -106 | 0 | 0 | 112.9 | R493 V495 L774 R775 T776 | R493-E772 PolarHBondContact O-N 2.93Å; V495-E772 HydrophobicContact CB-CB 4.2Å; V495-E772 HydrophobicContact CB-CG 4.11Å; V495-E772 HydrophobicContact CG1-CG 4.16Å; E772-L774 PolarHBondContact O-N 2.95Å; E772-R775 VanDerWaalsContact CD-NH2 3.34Å; E772-R775 VanDerWaalsContact O-CG 3.28Å; E772-R775 WeakPolarHBondContact O-CG 3.45Å; E772-R775 PolarHBondContact O-N 3.13Å; E772-R775 IonicContact OE1-CZ 2.88Å; E772-R775 IonicContact OE1-NH1 2.73Å; E772-R775 PolarHBondContact OE1-NH1 3.21Å; E772-R775 IonicContact OE1-NH2 2.86Å; E772-R775 PolarHBondContact OE1-NH2 3.12Å; E772-T776 HydrophobicContact CG-CG2 3.51Å; E772-T776 PolarHBondContact O-N 2.64Å; E772-T776 PolarHBondContact O-OG1 2.74Å; E772-T776 VanDerWaalsContact O-OG1 3.11Å |
| 773 | I | 88.6 | Confident | 86 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -55.2 | -20.8 | 177.1 | -166 | 166.7 | 0 | 0 | 0 | 113.9 | V495 D498 P771 L778 L797 A800 P804 | V495-I773 HydrophobicContact CB-CB 4.46Å; V495-I773 HydrophobicContact CG2-CB 4.11Å; V495-I773 HydrophobicContact CG2-CG1 4.21Å; D498-I773 HydrophobicContact CB-CD1 4.37Å; D498-I773 HydrophobicContact CB-CG2 4.47Å; P771-I773 HydrophobicContact CB-CG2 4.06Å; P771-I773 PolarHBondContact O-N 3.13Å; I773-L778 HydrophobicContact CG1-CD2 4.31Å; I773-L797 HydrophobicContact CD1-CD2 4.39Å; I773-A800 HydrophobicContact CD1-CB 4.12Å; I773-P804 HydrophobicContact CG1-CB 4.21Å; I773-P804 HydrophobicContact CG1-CG 4.33Å |
| 774 | L | 84.9 | Confident | 85.9 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -88.1 | -4.2 | 177.6 | -54.4 | -177.9 | 0 | 0 | 0 | 113.9 | Y202 T770 P771 E772 P803 | Y202-L774 HydrophobicContact CE1-CD1 4.17Å; T770-L774 HydrophobicContact CG2-CB 4.49Å; T770-L774 HydrophobicContact CG2-CD1 4.22Å; P771-L774 HydrophobicContact CB-CD1 4.42Å; P771-L774 HydrophobicContact CB-CG 4.33Å; P771-L774 HydrophobicContact CG-CD1 4.32Å; P771-L774 PolarHBondContact O-N 3.3Å; E772-L774 PolarHBondContact O-N 2.95Å; L774-P803 VanDerWaalsContact CD2-O 3.3Å; L774-P803 WeakPolarHBondContact CD2-O 3.27Å |
| 775 | R | 80.1 | Confident | 86 | Confident | 69 Ų | 69 | 34.7 Ų | 34.7 | 26% | 0.26 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -145.6 | 18.6 | -167.6 | 62.2 | 164.8 | 179.4 | 74.1 | 5.1 | 115.3 | E772 | E772-R775 VanDerWaalsContact CD-NH2 3.34Å; E772-R775 VanDerWaalsContact O-CG 3.28Å; E772-R775 WeakPolarHBondContact O-CG 3.45Å; E772-R775 PolarHBondContact O-N 3.13Å; E772-R775 IonicContact OE1-CZ 2.88Å; E772-R775 IonicContact OE1-NH1 2.73Å; E772-R775 PolarHBondContact OE1-NH1 3.21Å; E772-R775 IonicContact OE1-NH2 2.86Å; E772-R775 PolarHBondContact OE1-NH2 3.12Å |
| 776 | T | 80.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 22% | 0.221 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -137.3 | 150.9 | 179.1 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | E772 | E772-T776 HydrophobicContact CG-CG2 3.51Å; E772-T776 PolarHBondContact O-N 2.64Å; E772-T776 PolarHBondContact O-OG1 2.74Å; E772-T776 VanDerWaalsContact O-OG1 3.11Å |
| 777 | P | 82.7 | Confident | 86.5 | Confident | 50 Ų | 50 | 32.3 Ų | 32.3 | 33% | 0.325 | 17% | 0.169 | S | C | . | . | trans | -55 | 144.4 | 170.3 | -26.4 | 36.7 | 0 | 0 | 0 | 112.7 | F719 | F719-P777 HydrophobicContact CD1-CG 3.31Å; F719-P777 HydrophobicContact CE1-CG 3.38Å; F719-P777 HydrophobicContact CG-CG 4.04Å; F719-P777 HydrophobicContact CZ-CG 4.17Å | ||
| 778 | L | 89.2 | Confident | 86.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -109.5 | 7.3 | -171.7 | -56.3 | 174.4 | 0 | 0 | 0 | 113.4 | I773 L781 A782 L797 P804 A808 V809 A812 | I773-L778 HydrophobicContact CG1-CD2 4.31Å; L778-L781 HydrophobicContact CD2-CD2 4.35Å; L778-L781 WeakPolarHBondContact O-CB 2.9Å; L778-L781 PolarHBondContact O-N 2.82Å; L778-A782 WeakPolarHBondContact O-CB 3.41Å; L778-A782 PolarHBondContact O-N 3.39Å; L778-L797 HydrophobicContact CD1-CD1 4.24Å; L778-P804 HydrophobicContact CD1-CB 3.64Å; L778-P804 HydrophobicContact CD1-CG 3.9Å; L778-A808 HydrophobicContact CD1-CB 4.1Å; L778-V809 HydrophobicContact CD1-CG2 3.88Å; L778-A812 HydrophobicContact CB-CB 3.98Å | ||
| 779 | H | 87.1 | Confident | 86.9 | Confident | 34 Ų | 34 | 29.3 Ų | 29.3 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.7 | -36 | -174.7 | 52.4 | -110.4 | 0 | 0 | 0 | 113.9 | L781 A782 L783 A812 L816 | H779-L781 VanDerWaalsContact C-N 3.25Å; H779-L781 PolarHBondContact O-N 2.87Å; H779-A782 PolarHBondContact O-N 3.35Å; H779-L783 PolarHBondContact O-N 3.15Å; H779-L783 VanDerWaalsContact O-N 3.08Å; H779-A812 HydrophobicContact CB-CB 4.15Å; H779-L816 HydrophobicContact CB-CD2 4.09Å; H779-L816 HydrophobicContact CB-CG 4.19Å |
| 780 | E | 85.7 | Confident | 87.3 | Confident | 95 Ų | 95 | 27.2 Ų | 27.2 | 44% | 0.444 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 171.1 | -66.3 | -168.6 | 173.2 | 0 | 0 | 110.9 | L784 | E780-L784 WeakPolarHBondContact O-CB 3.31Å; E780-L784 PolarHBondContact O-N 3.25Å; E780-L784 VanDerWaalsContact O-N 3.1Å |
| 781 | L | 88.8 | Confident | 87.8 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.047 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.4 | -39.3 | -179.9 | -159.5 | 61.6 | 0 | 0 | 0 | 112 | V495 F499 L778 H779 L784 I785 L797 | V495-L781 HydrophobicContact CG2-CD2 3.84Å; F499-L781 HydrophobicContact CB-CD1 3.8Å; F499-L781 HydrophobicContact CB-CD2 4.48Å; F499-L781 HydrophobicContact CD1-CD1 4.29Å; F499-L781 HydrophobicContact CD2-CD1 3.5Å; F499-L781 HydrophobicContact CD2-CG 4.05Å; F499-L781 HydrophobicContact CE2-CD1 4.18Å; F499-L781 HydrophobicContact CG-CD1 3.59Å; L778-L781 HydrophobicContact CD2-CD2 4.35Å; L778-L781 WeakPolarHBondContact O-CB 2.9Å; L778-L781 PolarHBondContact O-N 2.82Å; H779-L781 VanDerWaalsContact C-N 3.25Å; H779-L781 PolarHBondContact O-N 2.87Å; L781-L784 HydrophobicContact CD1-CD2 4.25Å; L781-L784 PolarHBondContact O-N 3.21Å; L781-I785 HydrophobicContact CG-CD1 4.33Å; L781-I785 WeakPolarHBondContact O-CB 3.37Å; L781-I785 WeakPolarHBondContact O-CD1 3.45Å; L781-I785 VanDerWaalsContact O-CG1 3.23Å; L781-I785 WeakPolarHBondContact O-CG1 3.46Å; L781-I785 PolarHBondContact O-N 3.48Å; L781-L797 HydrophobicContact CD2-CD2 3.59Å; L781-L797 HydrophobicContact CG-CD2 4.29Å |
| 782 | A | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L778 H779 L784 I785 K786 V793 L816 | L778-A782 WeakPolarHBondContact O-CB 3.41Å; L778-A782 PolarHBondContact O-N 3.39Å; H779-A782 PolarHBondContact O-N 3.35Å; A782-L784 VanDerWaalsContact C-N 3.35Å; A782-L784 PolarHBondContact O-N 3.37Å; A782-I785 PolarHBondContact O-N 3.13Å; A782-K786 PolarHBondContact O-N 2.91Å; A782-K786 VanDerWaalsContact O-N 3.09Å; A782-V793 HydrophobicContact CB-CB 4.47Å; A782-V793 HydrophobicContact CB-CG1 3.72Å; A782-V793 HydrophobicContact CB-CG2 3.94Å; A782-L816 HydrophobicContact CB-CD1 3.62Å |
| 783 | L | 91.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 171.5 | -79.4 | 176.1 | 0 | 0 | 0 | 112.1 | H779 K786 L787 L816 A821 L828 L835 A836 P842 | H779-L783 PolarHBondContact O-N 3.15Å; H779-L783 VanDerWaalsContact O-N 3.08Å; L783-K786 PolarHBondContact O-N 2.87Å; L783-L787 WeakPolarHBondContact O-CB 3.17Å; L783-L787 PolarHBondContact O-N 3.46Å; L783-L816 HydrophobicContact CD1-CD2 3.84Å; L783-L816 HydrophobicContact CD2-CD1 4.07Å; L783-L816 HydrophobicContact CD2-CD2 3.95Å; L783-L816 HydrophobicContact CG-CD1 3.83Å; L783-L816 HydrophobicContact CG-CD2 3.63Å; L783-L816 HydrophobicContact CG-CG 4.4Å; L783-A821 HydrophobicContact CD2-CB 4.33Å; L783-L828 HydrophobicContact CD2-CD1 3.67Å; L783-L835 HydrophobicContact CD1-CB 4.2Å; L783-A836 HydrophobicContact CB-CB 3.89Å; L783-A836 HydrophobicContact CD2-CB 4.45Å; L783-P842 HydrophobicContact CD1-CB 4.13Å; L783-P842 HydrophobicContact CD1-CG 3.57Å |
| 784 | L | 88.7 | Confident | 88.5 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 7% | 0.073 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 179.2 | 177.6 | 59.5 | 0 | 0 | 0 | 112.6 | A472 R473 F499 E780 L781 A782 K786 L787 L788 | A472-L784 HydrophobicContact CB-CD1 4.01Å; A472-L784 HydrophobicContact CB-CD2 3.67Å; A472-L784 HydrophobicContact CB-CG 4.33Å; R473-L784 HydrophobicContact CG-CD1 4.39Å; F499-L784 HydrophobicContact CD1-CD2 4.27Å; F499-L784 HydrophobicContact CE1-CD2 3.74Å; F499-L784 HydrophobicContact CE1-CG 4.13Å; F499-L784 HydrophobicContact CZ-CD2 3.91Å; F499-L784 HydrophobicContact CZ-CG 3.84Å; E780-L784 WeakPolarHBondContact O-CB 3.31Å; E780-L784 PolarHBondContact O-N 3.25Å; E780-L784 VanDerWaalsContact O-N 3.1Å; L781-L784 HydrophobicContact CD1-CD2 4.25Å; L781-L784 PolarHBondContact O-N 3.21Å; A782-L784 VanDerWaalsContact C-N 3.35Å; A782-L784 PolarHBondContact O-N 3.37Å; L784-K786 VanDerWaalsContact C-N 3.31Å; L784-K786 PolarHBondContact O-N 3.39Å; L784-L787 PolarHBondContact O-N 3.34Å; L784-L788 HydrophobicContact CD1-CD1 3.9Å; L784-L788 HydrophobicContact CD1-CG 4.2Å; L784-L788 HydrophobicContact CG-CD1 4.33Å; L784-L788 WeakPolarHBondContact O-CB 3.22Å; L784-L788 WeakPolarHBondContact O-CG 3.37Å; L784-L788 PolarHBondContact O-N 2.9Å |
| 785 | I | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 172.7 | -75.3 | 162.7 | 0 | 0 | 0 | 111 | F499 L781 A782 R789 L790 V793 F796 L797 | F499-I785 HydrophobicContact CD2-CG1 4.3Å; F499-I785 HydrophobicContact CE2-CD1 4.45Å; F499-I785 HydrophobicContact CE2-CG1 3.66Å; L781-I785 HydrophobicContact CG-CD1 4.33Å; L781-I785 WeakPolarHBondContact O-CB 3.37Å; L781-I785 WeakPolarHBondContact O-CD1 3.45Å; L781-I785 VanDerWaalsContact O-CG1 3.23Å; L781-I785 WeakPolarHBondContact O-CG1 3.46Å; L781-I785 PolarHBondContact O-N 3.48Å; A782-I785 PolarHBondContact O-N 3.13Å; I785-R789 PolarHBondContact O-N 3.39Å; I785-L790 HydrophobicContact CG2-CB 4.17Å; I785-L790 PolarHBondContact O-N 3.45Å; I785-V793 HydrophobicContact CB-CG2 4.48Å; I785-V793 HydrophobicContact CD1-CG1 3.95Å; I785-V793 HydrophobicContact CG2-CG2 4.06Å; I785-F796 HydrophobicContact CD1-CB 4.31Å; I785-F796 HydrophobicContact CD1-CD1 3.61Å; I785-F796 HydrophobicContact CD1-CE1 4.36Å; I785-F796 HydrophobicContact CD1-CG 4.22Å; I785-F796 HydrophobicContact CG1-CD1 3.72Å; I785-F796 HydrophobicContact CG1-CE1 4.2Å; I785-F796 HydrophobicContact CG1-CG 4.18Å; I785-F796 HydrophobicContact CG2-CB 4.18Å; I785-F796 HydrophobicContact CG2-CG 4.37Å; I785-L797 HydrophobicContact CD1-CD1 4.31Å; I785-L797 HydrophobicContact CD1-CD2 3.79Å; I785-L797 HydrophobicContact CD1-CG 3.82Å |
| 786 | K | 91.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.4 | -38.7 | -179 | -76.5 | -78 | 173.6 | 168 | 0 | 113.1 | A782 L783 L784 L788 R789 G791 V793 L822 D826 E827 L828 | A782-K786 PolarHBondContact O-N 2.91Å; A782-K786 VanDerWaalsContact O-N 3.09Å; L783-K786 PolarHBondContact O-N 2.87Å; L784-K786 VanDerWaalsContact C-N 3.31Å; L784-K786 PolarHBondContact O-N 3.39Å; K786-L788 VanDerWaalsContact C-N 3.3Å; K786-L788 PolarHBondContact O-N 3.4Å; K786-R789 PolarHBondContact O-N 2.89Å; K786-G791 WeakPolarHBondContact CE-O 3.3Å; K786-V793 HydrophobicContact CG-CG2 4.23Å; K786-L822 HydrophobicContact CB-CD2 4.42Å; K786-L822 HydrophobicContact CG-CD2 4.11Å; K786-D826 VanDerWaalsContact CD-O 3.26Å; K786-D826 WeakPolarHBondContact CD-O 3.36Å; K786-D826 WeakPolarHBondContact CE-O 3.48Å; K786-D826 PolarHBondContact NZ-O 3.08Å; K786-E827 VanDerWaalsContact NZ-CD 3.27Å; K786-E827 IonicContact NZ-OE1 3.76Å; K786-E827 PolarHBondContact NZ-OE1 3.1Å; K786-E827 VanDerWaalsContact NZ-OE1 3.08Å; K786-E827 IonicContact NZ-OE2 2.66Å; K786-E827 PolarHBondContact NZ-OE2 3.34Å; K786-E827 VanDerWaalsContact NZ-OE2 3.14Å; K786-L828 HydrophobicContact CB-CB 4.41Å; K786-L828 HydrophobicContact CB-CD1 4.08Å |
| 787 | L | 89.4 | Confident | 90 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 172.5 | -177.9 | 67.9 | 0 | 0 | 0 | 111.9 | E476 L783 L784 R789 L828 F833 A836 R837 | E476-L787 WeakPolarHBondContact OE1-CD1 3.2Å; L783-L787 WeakPolarHBondContact O-CB 3.17Å; L783-L787 PolarHBondContact O-N 3.46Å; L784-L787 PolarHBondContact O-N 3.34Å; L787-R789 PolarHBondContact O-N 3.4Å; L787-L828 HydrophobicContact CB-CD2 4.25Å; L787-L828 HydrophobicContact CD1-CD2 4.21Å; L787-F833 HydrophobicContact CD1-CD2 3.72Å; L787-F833 HydrophobicContact CD1-CE2 4.02Å; L787-A836 HydrophobicContact CB-CB 3.82Å; L787-A836 HydrophobicContact CD1-CB 4.23Å; L787-A836 HydrophobicContact CD2-CB 3.86Å; L787-A836 HydrophobicContact CG-CB 4.19Å; L787-R837 HydrophobicContact CD1-CG 4.19Å; L787-R837 HydrophobicContact CD2-CG 3.96Å |
| 788 | L | 88 | Confident | 90.4 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.1 | 176.5 | -63.9 | 177.2 | 0 | 0 | 0 | 113.6 | M475 E476 F499 L503 L784 K786 L790 | M475-L788 VanDerWaalsContact C-CD2 3.49Å; M475-L788 HydrophobicContact CB-CD1 4.29Å; M475-L788 HydrophobicContact CB-CD2 3.89Å; E476-L788 HydrophobicContact CB-CD2 4.16Å; E476-L788 VanDerWaalsContact N-CD2 3.33Å; F499-L788 HydrophobicContact CZ-CD1 4.07Å; L503-L788 HydrophobicContact CD1-CD1 4.03Å; L784-L788 HydrophobicContact CD1-CD1 3.9Å; L784-L788 HydrophobicContact CD1-CG 4.2Å; L784-L788 HydrophobicContact CG-CD1 4.33Å; L784-L788 WeakPolarHBondContact O-CB 3.22Å; L784-L788 WeakPolarHBondContact O-CG 3.37Å; L784-L788 PolarHBondContact O-N 2.9Å; K786-L788 VanDerWaalsContact C-N 3.3Å; K786-L788 PolarHBondContact O-N 3.4Å; L788-L790 HydrophobicContact CB-CD1 3.92Å; L788-L790 HydrophobicContact CB-CD2 3.97Å; L788-L790 HydrophobicContact CB-CG 3.68Å; L788-L790 HydrophobicContact CD1-CD1 4.27Å; L788-L790 WeakPolarHBondContact O-CD2 3.35Å; L788-L790 PolarHBondContact O-N 3.15Å |
| 789 | R | 89.4 | Confident | 90.6 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 32% | 0.321 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.5 | 178.5 | -58.5 | 179.8 | 169.7 | 139.2 | -3.8 | 114.2 | E42 Q302 Q305 I785 K786 L787 G791 | E42-R789 IonicContact OE1-NH1 3.36Å; E42-R789 PolarHBondContact OE1-NH1 2.62Å; E42-R789 VanDerWaalsContact OE1-NH1 3.16Å; E42-R789 IonicContact OE2-NH1 3.13Å; Q302-R789 VanDerWaalsContact OE1-CD 3.31Å; Q302-R789 VanDerWaalsContact OE1-NE 3.09Å; Q305-R789 HydrophobicContact CB-CB 4.14Å; Q305-R789 HydrophobicContact CG-CB 4.08Å; Q305-R789 PolarHBondContact N-O 2.88Å; I785-R789 PolarHBondContact O-N 3.39Å; K786-R789 PolarHBondContact O-N 2.89Å; L787-R789 PolarHBondContact O-N 3.4Å; R789-G791 PolarHBondContact O-N 3.37Å; R789-G791 VanDerWaalsContact O-N 3.14Å |
| 790 | L | 89.8 | Confident | 90.9 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | trans | -79 | 5.8 | -173 | -49.8 | 174.5 | 0 | 0 | 0 | 114 | V307 F499 L503 I785 L788 F796 | V307-L790 HydrophobicContact CG2-CD2 4.3Å; F499-L790 HydrophobicContact CE2-CD1 4.16Å; F499-L790 HydrophobicContact CZ-CD1 4.13Å; L503-L790 HydrophobicContact CD1-CD1 4.4Å; L503-L790 HydrophobicContact CD2-CD1 3.58Å; L503-L790 HydrophobicContact CD2-CD2 3.63Å; L503-L790 HydrophobicContact CD2-CG 4.27Å; L503-L790 HydrophobicContact CG-CD1 4.14Å; I785-L790 HydrophobicContact CG2-CB 4.17Å; I785-L790 PolarHBondContact O-N 3.45Å; L788-L790 HydrophobicContact CB-CD1 3.92Å; L788-L790 HydrophobicContact CB-CD2 3.97Å; L788-L790 HydrophobicContact CB-CG 3.68Å; L788-L790 HydrophobicContact CD1-CD1 4.27Å; L788-L790 WeakPolarHBondContact O-CD2 3.35Å; L788-L790 PolarHBondContact O-N 3.15Å; L790-F796 HydrophobicContact CB-CD2 3.71Å; L790-F796 HydrophobicContact CB-CE2 3.98Å; L790-F796 HydrophobicContact CB-CG 4.46Å; L790-F796 HydrophobicContact CD1-CD2 4.04Å; L790-F796 HydrophobicContact CD1-CE1 4.43Å; L790-F796 HydrophobicContact CD1-CE2 3.56Å; L790-F796 HydrophobicContact CD1-CZ 3.78Å; L790-F796 HydrophobicContact CG-CD2 4.46Å; L790-F796 HydrophobicContact CG-CE2 4.26Å | ||
| 791 | G | 90.4 | Very high | 91 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 7% | 0.072 | 13% | 0.133 | C | C | . | . | trans | 94.9 | -142 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K786 R789 | K786-G791 WeakPolarHBondContact CE-O 3.3Å; R789-G791 PolarHBondContact O-N 3.37Å; R789-G791 VanDerWaalsContact O-N 3.14Å | ||
| 792 | S | 92.2 | Very high | 91 | Very high | 43 Ų | 43 | 30.2 Ų | 30.2 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | trans | -67.6 | 135.1 | 177.3 | 156.7 | 0 | 0 | 0 | 0 | 111.7 | D795 F796 | S792-D795 WeakPolarHBondContact CB-OD2 3.48Å; S792-D795 PolarHBondContact O-N 3Å; S792-D795 VanDerWaalsContact OG-CG 3.3Å; S792-D795 PolarHBondContact OG-N 2.83Å; S792-D795 VanDerWaalsContact OG-N 3.14Å; S792-D795 PolarHBondContact OG-OD2 2.9Å; S792-F796 VanDerWaalsContact O-CB 3.31Å; S792-F796 WeakPolarHBondContact O-CB 3.31Å; S792-F796 PolarHBondContact O-N 2.93Å | ||
| 793 | V | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -45.4 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | A782 I785 K786 D795 F796 L797 V809 E813 | A782-V793 HydrophobicContact CB-CB 4.47Å; A782-V793 HydrophobicContact CB-CG1 3.72Å; A782-V793 HydrophobicContact CB-CG2 3.94Å; I785-V793 HydrophobicContact CB-CG2 4.48Å; I785-V793 HydrophobicContact CD1-CG1 3.95Å; I785-V793 HydrophobicContact CG2-CG2 4.06Å; K786-V793 HydrophobicContact CG-CG2 4.23Å; V793-D795 PolarHBondContact O-N 2.95Å; V793-F796 PolarHBondContact O-N 3.48Å; V793-L797 HydrophobicContact CG1-CD1 3.69Å; V793-L797 HydrophobicContact CG1-CG 4.3Å; V793-L797 WeakPolarHBondContact O-CB 3.4Å; V793-L797 VanDerWaalsContact O-CG 3.32Å; V793-L797 WeakPolarHBondContact O-CG 3.4Å; V793-L797 PolarHBondContact O-N 3.18Å; V793-V809 HydrophobicContact CG1-CG1 4.18Å; V793-E813 HydrophobicContact CB-CG 4.27Å; V793-E813 WeakPolarHBondContact CB-OE1 3.47Å; V793-E813 HydrophobicContact CG2-CG 4.5Å |
| 794 | R | 91.8 | Very high | 90.8 | Very high | 88 Ų | 88 | 33 Ų | 33 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -52.6 | -53.6 | 171.4 | -177.6 | 178.8 | -176.7 | 148.8 | 4.5 | 111.9 | H227 F796 L797 M798 L806 V809 | H227-R794 PolarHBondContact O-NH2 3.08Å; R794-F796 VanDerWaalsContact C-N 3.31Å; R794-F796 PolarHBondContact O-N 3.01Å; R794-L797 PolarHBondContact O-N 2.99Å; R794-M798 HydrophobicContact CG-CG 4.47Å; R794-M798 WeakPolarHBondContact O-CB 3.37Å; R794-M798 WeakPolarHBondContact O-CG 3.49Å; R794-M798 PolarHBondContact O-N 2.88Å; R794-L806 HydrophobicContact CG-CD2 4.43Å; R794-V809 HydrophobicContact CB-CG1 4.37Å |
| 795 | D | 91.4 | Very high | 90.7 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 52% | 0.519 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -75.6 | -20.9 | -173.2 | -57.1 | -53.4 | 0 | 0 | 0 | 113.1 | S792 V793 K799 | S792-D795 WeakPolarHBondContact CB-OD2 3.48Å; S792-D795 PolarHBondContact O-N 3Å; S792-D795 VanDerWaalsContact OG-CG 3.3Å; S792-D795 PolarHBondContact OG-N 2.83Å; S792-D795 VanDerWaalsContact OG-N 3.14Å; S792-D795 PolarHBondContact OG-OD2 2.9Å; V793-D795 PolarHBondContact O-N 2.95Å; D795-K799 VanDerWaalsContact O-CE 3.28Å; D795-K799 WeakPolarHBondContact O-CE 3.14Å; D795-K799 WeakPolarHBondContact O-CG 3.46Å |
| 796 | F | 93 | Very high | 90.4 | Very high | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.7 | -51.5 | 168.2 | -171.6 | -87.7 | 0 | 0 | 0 | 111.4 | F499 I502 L503 I785 L790 S792 V793 R794 M798 K799 | F499-F796 HydrophobicContact CD2-CD1 4.38Å; F499-F796 AromaticContact CD2-CE1 3.52Å; F499-F796 HydrophobicContact CD2-CE1 3.52Å; F499-F796 HydrophobicContact CD2-CZ 4.21Å; F499-F796 HydrophobicContact CE2-CD1 4.34Å; F499-F796 AromaticContact CE2-CE1 3.54Å; F499-F796 HydrophobicContact CE2-CE1 3.54Å; F499-F796 AromaticContact CE2-CZ 3.95Å; F499-F796 HydrophobicContact CE2-CZ 3.95Å; I502-F796 HydrophobicContact CB-CE1 3.95Å; I502-F796 HydrophobicContact CB-CE2 4.41Å; I502-F796 HydrophobicContact CB-CZ 3.65Å; I502-F796 HydrophobicContact CD1-CD1 4.08Å; I502-F796 HydrophobicContact CD1-CE1 3.56Å; I502-F796 HydrophobicContact CD1-CZ 4.19Å; I502-F796 HydrophobicContact CG1-CE1 4.37Å; I502-F796 HydrophobicContact CG2-CD1 4.46Å; I502-F796 HydrophobicContact CG2-CD2 4.3Å; I502-F796 HydrophobicContact CG2-CE1 3.83Å; I502-F796 HydrophobicContact CG2-CE2 3.64Å; I502-F796 HydrophobicContact CG2-CZ 3.36Å; L503-F796 HydrophobicContact CD2-CE2 4.37Å; L503-F796 HydrophobicContact CD2-CZ 4.35Å; L503-F796 HydrophobicContact CG-CZ 4.05Å; I785-F796 HydrophobicContact CD1-CB 4.31Å; I785-F796 HydrophobicContact CD1-CD1 3.61Å; I785-F796 HydrophobicContact CD1-CE1 4.36Å; I785-F796 HydrophobicContact CD1-CG 4.22Å; I785-F796 HydrophobicContact CG1-CD1 3.72Å; I785-F796 HydrophobicContact CG1-CE1 4.2Å; I785-F796 HydrophobicContact CG1-CG 4.18Å; I785-F796 HydrophobicContact CG2-CB 4.18Å; I785-F796 HydrophobicContact CG2-CG 4.37Å; L790-F796 HydrophobicContact CB-CD2 3.71Å; L790-F796 HydrophobicContact CB-CE2 3.98Å; L790-F796 HydrophobicContact CB-CG 4.46Å; L790-F796 HydrophobicContact CD1-CD2 4.04Å; L790-F796 HydrophobicContact CD1-CE1 4.43Å; L790-F796 HydrophobicContact CD1-CE2 3.56Å; L790-F796 HydrophobicContact CD1-CZ 3.78Å; L790-F796 HydrophobicContact CG-CD2 4.46Å; L790-F796 HydrophobicContact CG-CE2 4.26Å; S792-F796 VanDerWaalsContact O-CB 3.31Å; S792-F796 WeakPolarHBondContact O-CB 3.31Å; S792-F796 PolarHBondContact O-N 2.93Å; V793-F796 PolarHBondContact O-N 3.48Å; R794-F796 VanDerWaalsContact C-N 3.31Å; R794-F796 PolarHBondContact O-N 3.01Å; F796-M798 VanDerWaalsContact C-N 3.31Å; F796-M798 PolarHBondContact O-N 3.37Å; F796-K799 VanDerWaalsContact O-CB 3.25Å; F796-K799 WeakPolarHBondContact O-CB 3.13Å; F796-K799 PolarHBondContact O-N 3.24Å |
| 797 | L | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.1 | -27.4 | -176.7 | -66.4 | 176.4 | 0 | 0 | 0 | 113.2 | I773 L778 L781 I785 V793 R794 K799 A800 P804 V809 | I773-L797 HydrophobicContact CD1-CD2 4.39Å; L778-L797 HydrophobicContact CD1-CD1 4.24Å; L781-L797 HydrophobicContact CD2-CD2 3.59Å; L781-L797 HydrophobicContact CG-CD2 4.29Å; I785-L797 HydrophobicContact CD1-CD1 4.31Å; I785-L797 HydrophobicContact CD1-CD2 3.79Å; I785-L797 HydrophobicContact CD1-CG 3.82Å; V793-L797 HydrophobicContact CG1-CD1 3.69Å; V793-L797 HydrophobicContact CG1-CG 4.3Å; V793-L797 WeakPolarHBondContact O-CB 3.4Å; V793-L797 VanDerWaalsContact O-CG 3.32Å; V793-L797 WeakPolarHBondContact O-CG 3.4Å; V793-L797 PolarHBondContact O-N 3.18Å; R794-L797 PolarHBondContact O-N 2.99Å; L797-K799 PolarHBondContact O-N 3.46Å; L797-K799 VanDerWaalsContact O-N 3.12Å; L797-A800 VanDerWaalsContact O-CB 3.25Å; L797-A800 WeakPolarHBondContact O-CB 3.25Å; L797-A800 PolarHBondContact O-N 3.38Å; L797-P804 HydrophobicContact CB-CG 3.85Å; L797-P804 HydrophobicContact CD1-CG 4.2Å; L797-V809 HydrophobicContact CD1-CG1 4.42Å; L797-V809 HydrophobicContact CD1-CG2 3.94Å |
| 798 | M | 90.9 | Very high | 90 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 28% | 0.281 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7.1 | 169.7 | -71.2 | -66.3 | 113.4 | 0 | 0 | 113.9 | R794 F796 P803 P804 L806 | R794-M798 HydrophobicContact CG-CG 4.47Å; R794-M798 WeakPolarHBondContact O-CB 3.37Å; R794-M798 WeakPolarHBondContact O-CG 3.49Å; R794-M798 PolarHBondContact O-N 2.88Å; F796-M798 VanDerWaalsContact C-N 3.31Å; F796-M798 PolarHBondContact O-N 3.37Å; M798-P803 HydrophobicContact CE-CB 3.72Å; M798-P803 HydrophobicContact SD-CB 4.07Å; M798-P804 WeakPolarHBondContact CE-O 3.3Å; M798-L806 HydrophobicContact CE-CD2 3.8Å; M798-L806 HydrophobicContact CE-CG 4.49Å; M798-L806 HydrophobicContact SD-CD2 4.22Å |
| 799 | K | 92.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 34 Ų | 34 | 36% | 0.361 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -3.2 | 171.6 | -60.7 | 168.7 | -174.1 | 173.6 | 0 | 113.5 | I502 Y531 D795 F796 L797 | I502-K799 HydrophobicContact CG2-CB 3.76Å; I502-K799 HydrophobicContact CG2-CD 4.32Å; Y531-K799 VanDerWaalsContact CE2-O 3.22Å; Y531-K799 WeakPolarHBondContact CE2-O 3.33Å; Y531-K799 PolarHBondContact OH-O 3.19Å; D795-K799 VanDerWaalsContact O-CE 3.28Å; D795-K799 WeakPolarHBondContact O-CE 3.14Å; D795-K799 WeakPolarHBondContact O-CG 3.46Å; F796-K799 VanDerWaalsContact O-CB 3.25Å; F796-K799 WeakPolarHBondContact O-CB 3.13Å; F796-K799 PolarHBondContact O-N 3.24Å; L797-K799 PolarHBondContact O-N 3.46Å; L797-K799 VanDerWaalsContact O-N 3.12Å |
| 800 | A | 92.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -59.8 | 160.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I502 I773 L797 Q802 | I502-A800 HydrophobicContact CD1-CB 3.83Å; I502-A800 HydrophobicContact CG1-CB 4.35Å; I773-A800 HydrophobicContact CD1-CB 4.12Å; L797-A800 VanDerWaalsContact O-CB 3.25Å; L797-A800 WeakPolarHBondContact O-CB 3.25Å; L797-A800 PolarHBondContact O-N 3.38Å; A800-Q802 PolarHBondContact O-N 2.97Å |
| 801 | L | 88.8 | Confident | 90.1 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -58.1 | -40.5 | 176 | -172.8 | 60.1 | 0 | 0 | 0 | 111.3 | M527 F528 Y531 | M527-L801 HydrophobicContact CG-CD1 3.9Å; M527-L801 HydrophobicContact CG-CG 4.22Å; M527-L801 HydrophobicContact SD-CD1 4.34Å; M527-L801 HydrophobicContact SD-CD2 4.06Å; M527-L801 HydrophobicContact SD-CG 3.99Å; F528-L801 HydrophobicContact CD1-CD2 4.19Å; F528-L801 HydrophobicContact CD2-CD2 4.25Å; F528-L801 HydrophobicContact CE1-CD2 3.62Å; F528-L801 HydrophobicContact CE2-CD2 3.66Å; F528-L801 HydrophobicContact CG-CD2 4.49Å; F528-L801 HydrophobicContact CZ-CD2 3.33Å; Y531-L801 VanDerWaalsContact CB-CD1 3.46Å; Y531-L801 HydrophobicContact CD1-CD1 4.21Å; Y531-L801 HydrophobicContact CD2-CB 4.31Å; Y531-L801 HydrophobicContact CD2-CD1 3.48Å; Y531-L801 VanDerWaalsContact CD2-CD1 3.48Å; Y531-L801 HydrophobicContact CE2-CB 4.24Å; Y531-L801 HydrophobicContact CE2-CD1 4.24Å; Y531-L801 HydrophobicContact CG-CD1 3.46Å; Y531-L801 VanDerWaalsContact CG-CD1 3.46Å |
| 802 | Q | 88.2 | Confident | 90.1 | Very high | 67 Ų | 67 | 31.7 Ų | 31.7 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -134.6 | 105.9 | 165.6 | -70.5 | 170.5 | -79.2 | 0 | 0 | 108 | P771 A800 | P771-Q802 VanDerWaalsContact CG-OE1 3.32Å; A800-Q802 PolarHBondContact O-N 2.97Å |
| 803 | P | 90 | Very high | 90.1 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 38% | 0.377 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -59.9 | 144.7 | -175.8 | -29.3 | 37.5 | 0 | 0 | 0 | 114.7 | L774 M798 | L774-P803 VanDerWaalsContact CD2-O 3.3Å; L774-P803 WeakPolarHBondContact CD2-O 3.27Å; M798-P803 HydrophobicContact CE-CB 3.72Å; M798-P803 HydrophobicContact SD-CB 4.07Å |
| 804 | P | 90.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 159.7 | 175.6 | 27.6 | -33.4 | 0 | 0 | 0 | 113.1 | I773 L778 L797 M798 V809 | I773-P804 HydrophobicContact CG1-CB 4.21Å; I773-P804 HydrophobicContact CG1-CG 4.33Å; L778-P804 HydrophobicContact CD1-CB 3.64Å; L778-P804 HydrophobicContact CD1-CG 3.9Å; L797-P804 HydrophobicContact CB-CG 3.85Å; L797-P804 HydrophobicContact CD1-CG 4.2Å; M798-P804 WeakPolarHBondContact CE-O 3.3Å; P804-V809 HydrophobicContact CB-CG2 4.45Å; P804-V809 HydrophobicContact CG-CG2 3.89Å |
| 805 | P | 85.9 | Confident | 89.7 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 135.7 | 168.5 | -26 | 36 | 0 | 0 | 0 | 112.8 | Q224 D807 A808 V809 | Q224-P805 HydrophobicContact CG-CB 4.36Å; P805-D807 VanDerWaalsContact C-N 3.3Å; P805-D807 WeakPolarHBondContact CB-OD1 3.46Å; P805-D807 PolarHBondContact O-N 3.46Å; P805-A808 HydrophobicContact CB-CB 4.32Å; P805-A808 PolarHBondContact O-N 3.43Å; P805-V809 PolarHBondContact O-N 3.49Å |
| 806 | L | 86.5 | Confident | 89.8 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -33.8 | -177.1 | -74.3 | 172 | 0 | 0 | 0 | 113.2 | H227 R794 M798 V809 I810 | H227-L806 HydrophobicContact CB-CB 4.37Å; R794-L806 HydrophobicContact CG-CD2 4.43Å; M798-L806 HydrophobicContact CE-CD2 3.8Å; M798-L806 HydrophobicContact CE-CG 4.49Å; M798-L806 HydrophobicContact SD-CD2 4.22Å; L806-V809 PolarHBondContact O-N 2.87Å; L806-I810 WeakPolarHBondContact O-CG1 3.3Å; L806-I810 PolarHBondContact O-N 3.05Å; L806-I810 VanDerWaalsContact O-N 3.15Å |
| 807 | D | 84.7 | Confident | 89.7 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 174 | 48.7 | -21 | 0 | 0 | 0 | 112 | S220 R223 Q224 P805 V809 I810 E811 | S220-D807 WeakPolarHBondContact CA-OD2 3.28Å; S220-D807 WeakPolarHBondContact CB-OD2 3.39Å; S220-D807 PolarHBondContact OG-OD1 2.83Å; S220-D807 PolarHBondContact OG-OD2 2.9Å; R223-D807 HydrophobicContact CB-CB 3.83Å; Q224-D807 VanDerWaalsContact CG-OD1 3.31Å; Q224-D807 WeakPolarHBondContact CG-OD1 3.44Å; P805-D807 VanDerWaalsContact C-N 3.3Å; P805-D807 WeakPolarHBondContact CB-OD1 3.46Å; P805-D807 PolarHBondContact O-N 3.46Å; D807-V809 VanDerWaalsContact C-N 3.3Å; D807-V809 PolarHBondContact O-N 2.63Å; D807-I810 PolarHBondContact O-N 2.93Å; D807-E811 WeakPolarHBondContact O-CG 3.43Å; D807-E811 PolarHBondContact O-N 3.41Å |
| 808 | A | 87.2 | Confident | 89.5 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 22% | 0.223 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -29.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L778 P805 A812 | L778-A808 HydrophobicContact CD1-CB 4.1Å; P805-A808 HydrophobicContact CB-CB 4.32Å; P805-A808 PolarHBondContact O-N 3.43Å; A808-A812 PolarHBondContact O-N 3.3Å |
| 809 | V | 91.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.9 | -44.4 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L778 V793 R794 L797 P804 P805 L806 D807 A812 E813 | L778-V809 HydrophobicContact CD1-CG2 3.88Å; V793-V809 HydrophobicContact CG1-CG1 4.18Å; R794-V809 HydrophobicContact CB-CG1 4.37Å; L797-V809 HydrophobicContact CD1-CG1 4.42Å; L797-V809 HydrophobicContact CD1-CG2 3.94Å; P804-V809 HydrophobicContact CB-CG2 4.45Å; P804-V809 HydrophobicContact CG-CG2 3.89Å; P805-V809 PolarHBondContact O-N 3.49Å; L806-V809 PolarHBondContact O-N 2.87Å; D807-V809 VanDerWaalsContact C-N 3.3Å; D807-V809 PolarHBondContact O-N 2.63Å; V809-A812 WeakPolarHBondContact O-CB 3.35Å; V809-A812 PolarHBondContact O-N 2.94Å; V809-A812 VanDerWaalsContact O-N 3.17Å; V809-E813 PolarHBondContact O-N 2.68Å |
| 810 | I | 90.5 | Very high | 89.3 | Confident | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.138 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.1 | -36.8 | -177.6 | -69.8 | 166 | 0 | 0 | 0 | 111.4 | L146 H227 L806 D807 A812 E813 H814 | L146-I810 HydrophobicContact CD1-CG2 3.99Å; L146-I810 HydrophobicContact CD2-CG2 4.2Å; L146-I810 HydrophobicContact CG-CG2 4.01Å; H227-I810 HydrophobicContact CB-CD1 3.83Å; H227-I810 VanDerWaalsContact CG-CD1 3.41Å; L806-I810 WeakPolarHBondContact O-CG1 3.3Å; L806-I810 PolarHBondContact O-N 3.05Å; L806-I810 VanDerWaalsContact O-N 3.15Å; D807-I810 PolarHBondContact O-N 2.93Å; I810-A812 VanDerWaalsContact C-N 3.27Å; I810-A812 PolarHBondContact O-N 2.89Å; I810-E813 PolarHBondContact O-N 2.91Å; I810-H814 VanDerWaalsContact O-CB 3.23Å; I810-H814 WeakPolarHBondContact O-CB 3.01Å; I810-H814 PolarHBondContact O-N 2.75Å |
| 811 | E | 87.8 | Confident | 89.4 | Confident | 26 Ų | 26 | 29.6 Ų | 29.6 | 12% | 0.121 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -38.4 | 169.4 | -74.9 | -177.2 | 166.4 | 0 | 0 | 111.6 | T143 L146 H147 R223 A721 D807 T815 | T143-E811 WeakPolarHBondContact CB-OE1 3.38Å; T143-E811 HydrophobicContact CG2-CG 4.37Å; T143-E811 PolarHBondContact OG1-OE1 2.73Å; L146-E811 HydrophobicContact CD2-CG 4.06Å; H147-E811 IonicContact CE1-OE1 2.62Å; H147-E811 VanDerWaalsContact NE2-CG 3.33Å; H147-E811 WeakPolarHBondContact NE2-CG 3.41Å; H147-E811 IonicContact NE2-OE1 3.02Å; H147-E811 PolarHBondContact NE2-OE1 3.34Å; R223-E811 IonicContact NH1-OE1 3.32Å; R223-E811 PolarHBondContact NH1-OE1 3.48Å; A721-E811 WeakPolarHBondContact CB-OE2 3.37Å; D807-E811 WeakPolarHBondContact O-CG 3.43Å; D807-E811 PolarHBondContact O-N 3.41Å; E811-T815 VanDerWaalsContact O-CB 3.25Å; E811-T815 WeakPolarHBondContact O-CB 3.49Å; E811-T815 PolarHBondContact O-N 2.78Å; E811-T815 PolarHBondContact O-OG1 2.89Å |
| 812 | A | 89.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70 | -49.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L778 H779 A808 V809 I810 H814 T815 L816 | L778-A812 HydrophobicContact CB-CB 3.98Å; H779-A812 HydrophobicContact CB-CB 4.15Å; A808-A812 PolarHBondContact O-N 3.3Å; V809-A812 WeakPolarHBondContact O-CB 3.35Å; V809-A812 PolarHBondContact O-N 2.94Å; V809-A812 VanDerWaalsContact O-N 3.17Å; I810-A812 VanDerWaalsContact C-N 3.27Å; I810-A812 PolarHBondContact O-N 2.89Å; A812-H814 PolarHBondContact O-N 2.8Å; A812-T815 PolarHBondContact O-N 2.83Å; A812-L816 WeakPolarHBondContact O-CG 2.99Å; A812-L816 PolarHBondContact O-N 2.95Å; A812-L816 VanDerWaalsContact O-N 3.09Å |
| 813 | E | 92.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 26.3 Ų | 26.3 | 14% | 0.14 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.1 | -71.6 | 176.3 | 141.2 | 0 | 0 | 111.4 | V793 V809 I810 L816 K817 | V793-E813 HydrophobicContact CB-CG 4.27Å; V793-E813 WeakPolarHBondContact CB-OE1 3.47Å; V793-E813 HydrophobicContact CG2-CG 4.5Å; V809-E813 PolarHBondContact O-N 2.68Å; I810-E813 PolarHBondContact O-N 2.91Å; E813-L816 PolarHBondContact O-N 2.95Å; E813-K817 PolarHBondContact O-N 2.84Å |
| 814 | H | 89.8 | Confident | 89.9 | Confident | 93 Ų | 93 | 30.3 Ų | 30.3 | 43% | 0.431 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62 | -45.4 | 175.9 | -179.4 | 75.3 | 0 | 0 | 0 | 112.3 | L146 I810 A812 L816 K817 E818 | L146-H814 HydrophobicContact CD1-CB 3.88Å; L146-H814 HydrophobicContact CD2-CB 3.61Å; L146-H814 HydrophobicContact CG-CB 4.43Å; I810-H814 VanDerWaalsContact O-CB 3.23Å; I810-H814 WeakPolarHBondContact O-CB 3.01Å; I810-H814 PolarHBondContact O-N 2.75Å; A812-H814 PolarHBondContact O-N 2.8Å; H814-L816 VanDerWaalsContact C-N 3.32Å; H814-L816 PolarHBondContact O-N 2.83Å; H814-K817 PolarHBondContact O-N 2.83Å; H814-E818 WeakPolarHBondContact O-CB 3.44Å; H814-E818 PolarHBondContact O-N 2.92Å |
| 815 | T | 87.5 | Confident | 89.9 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 20% | 0.202 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.9 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | E811 A812 E818 M819 | E811-T815 VanDerWaalsContact O-CB 3.25Å; E811-T815 WeakPolarHBondContact O-CB 3.49Å; E811-T815 PolarHBondContact O-N 2.78Å; E811-T815 PolarHBondContact O-OG1 2.89Å; A812-T815 PolarHBondContact O-N 2.83Å; T815-E818 PolarHBondContact O-N 3.44Å; T815-M819 HydrophobicContact CG2-CE 3.85Å; T815-M819 WeakPolarHBondContact O-CE 3.23Å; T815-M819 WeakPolarHBondContact O-CG 3.32Å; T815-M819 PolarHBondContact O-N 2.84Å |
| 816 | L | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.3 | -37.3 | 178.3 | -65.7 | 178.7 | 0 | 0 | 0 | 112.9 | H779 A782 L783 A812 E813 H814 M819 A821 L822 P842 | H779-L816 HydrophobicContact CB-CD2 4.09Å; H779-L816 HydrophobicContact CB-CG 4.19Å; A782-L816 HydrophobicContact CB-CD1 3.62Å; L783-L816 HydrophobicContact CD1-CD2 3.84Å; L783-L816 HydrophobicContact CD2-CD1 4.07Å; L783-L816 HydrophobicContact CD2-CD2 3.95Å; L783-L816 HydrophobicContact CG-CD1 3.83Å; L783-L816 HydrophobicContact CG-CD2 3.63Å; L783-L816 HydrophobicContact CG-CG 4.4Å; A812-L816 WeakPolarHBondContact O-CG 2.99Å; A812-L816 PolarHBondContact O-N 2.95Å; A812-L816 VanDerWaalsContact O-N 3.09Å; E813-L816 PolarHBondContact O-N 2.95Å; H814-L816 VanDerWaalsContact C-N 3.32Å; H814-L816 PolarHBondContact O-N 2.83Å; L816-M819 HydrophobicContact CD2-CE 3.67Å; L816-M819 PolarHBondContact O-N 3.04Å; L816-A821 HydrophobicContact CB-CB 4.42Å; L816-A821 HydrophobicContact CD2-CB 4.35Å; L816-A821 WeakPolarHBondContact O-CA 3.2Å; L816-A821 WeakPolarHBondContact O-CB 3.43Å; L816-A821 PolarHBondContact O-N 3.33Å; L816-L822 HydrophobicContact CB-CB 4.38Å; L816-L822 HydrophobicContact CB-CD1 3.82Å; L816-L822 HydrophobicContact CB-CG 3.8Å; L816-L822 HydrophobicContact CD1-CD1 3.9Å; L816-L822 HydrophobicContact CD1-CG 4.22Å; L816-L822 PolarHBondContact O-N 3.03Å; L816-P842 HydrophobicContact CD2-CG 4.34Å |
| 817 | K | 92.3 | Very high | 90.5 | Very high | 73 Ų | 73 | 33 Ų | 33 | 32% | 0.317 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 172.4 | -80.4 | 174.6 | 160.9 | 161.4 | 0 | 111.9 | E813 H814 M819 K820 L822 D823 D826 | E813-K817 PolarHBondContact O-N 2.84Å; H814-K817 PolarHBondContact O-N 2.83Å; K817-M819 VanDerWaalsContact C-N 3.25Å; K817-M819 PolarHBondContact O-N 3.16Å; K817-K820 PolarHBondContact O-N 3.43Å; K817-L822 HydrophobicContact CG-CB 3.9Å; K817-D823 WeakPolarHBondContact CE-O 3.13Å; K817-D826 WeakPolarHBondContact CE-OD1 3.01Å; K817-D826 IonicContact NZ-OD1 2.77Å; K817-D826 PolarHBondContact NZ-OD1 3.44Å; K817-D826 IonicContact NZ-OD2 2.66Å; K817-D826 PolarHBondContact NZ-OD2 3.06Å |
| 818 | E | 87 | Confident | 91 | Very high | 67 Ų | 67 | 33.9 Ų | 33.9 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55 | -40.8 | 176.3 | -169 | -143.1 | 169.9 | 0 | 0 | 112 | H814 T815 K820 R843 R1055 | H814-E818 WeakPolarHBondContact O-CB 3.44Å; H814-E818 PolarHBondContact O-N 2.92Å; T815-E818 PolarHBondContact O-N 3.44Å; E818-K820 PolarHBondContact O-N 3.18Å; E818-R843 IonicContact OE2-CZ 3.01Å; E818-R843 IonicContact OE2-NH2 3.5Å; E818-R843 PolarHBondContact OE2-NH2 2.97Å; E818-R1055 IonicContact OE1-CZ 3.89Å; E818-R1055 IonicContact OE1-NE 3.67Å; E818-R1055 PolarHBondContact OE1-NE 3.27Å; E818-R1055 IonicContact OE1-NH2 2.68Å; E818-R1055 PolarHBondContact OE1-NH2 3.4Å; E818-R1055 IonicContact OE2-CZ 2.71Å; E818-R1055 IonicContact OE2-NH2 2.7Å; E818-R1055 PolarHBondContact OE2-NH2 2.94Å |
| 819 | M | 88.8 | Confident | 91.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -4.5 | 179.1 | -69.5 | -174.6 | -64.7 | 0 | 0 | 114.5 | T815 L816 K817 A821 L831 P842 R843 K846 | T815-M819 HydrophobicContact CG2-CE 3.85Å; T815-M819 WeakPolarHBondContact O-CE 3.23Å; T815-M819 WeakPolarHBondContact O-CG 3.32Å; T815-M819 PolarHBondContact O-N 2.84Å; L816-M819 HydrophobicContact CD2-CE 3.67Å; L816-M819 PolarHBondContact O-N 3.04Å; K817-M819 VanDerWaalsContact C-N 3.25Å; K817-M819 PolarHBondContact O-N 3.16Å; M819-A821 VanDerWaalsContact C-N 3.25Å; M819-A821 HydrophobicContact CB-CB 4.42Å; M819-L831 WeakPolarHBondContact O-CD2 3.33Å; M819-P842 HydrophobicContact CE-CB 3.63Å; M819-P842 HydrophobicContact CE-CG 4.33Å; M819-P842 HydrophobicContact SD-CB 4.09Å; M819-R843 HydrophobicContact CG-CG 4.5Å; M819-R843 HydrophobicContact SD-CB 4.39Å; M819-R843 HydrophobicContact SD-CG 3.33Å; M819-R843 WeakPolarHBondContact SD-CG 3.33Å; M819-K846 PolarHBondContact O-NZ 3.3Å |
| 820 | K | 91.7 | Very high | 91.5 | Very high | 38 Ų | 38 | 35 Ų | 35 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 31.1 | -164.8 | -61.5 | -176.7 | 172.9 | -179.8 | 0 | 113.4 | N292 D295 F296 K817 E818 T829 E1096 | N292-K820 PolarHBondContact ND2-NZ 3.27Å; N292-K820 PolarHBondContact OD1-NZ 3.43Å; D295-K820 WeakPolarHBondContact OD1-CE 3.31Å; D295-K820 IonicContact OD1-NZ 3.58Å; D295-K820 PolarHBondContact OD1-NZ 2.74Å; F296-K820 HydrophobicContact CD2-CB 4.23Å; F296-K820 HydrophobicContact CE2-CB 4.19Å; K817-K820 PolarHBondContact O-N 3.43Å; E818-K820 PolarHBondContact O-N 3.18Å; K820-T829 WeakPolarHBondContact O-CB 3.07Å; K820-T829 WeakPolarHBondContact O-CG2 3.2Å; K820-T829 PolarHBondContact O-OG1 3.26Å; K820-E1096 VanDerWaalsContact CE-OE2 3.28Å; K820-E1096 WeakPolarHBondContact CE-OE2 3.3Å; K820-E1096 IonicContact NZ-OE2 2.78Å; K820-E1096 PolarHBondContact NZ-OE2 2.84Å |
| 821 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -90 | -27.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L783 L816 M819 T829 G832 L835 | L783-A821 HydrophobicContact CD2-CB 4.33Å; L816-A821 HydrophobicContact CB-CB 4.42Å; L816-A821 HydrophobicContact CD2-CB 4.35Å; L816-A821 WeakPolarHBondContact O-CA 3.2Å; L816-A821 WeakPolarHBondContact O-CB 3.43Å; L816-A821 PolarHBondContact O-N 3.33Å; M819-A821 VanDerWaalsContact C-N 3.25Å; M819-A821 HydrophobicContact CB-CB 4.42Å; A821-T829 WeakPolarHBondContact CA-OG1 3.33Å; A821-T829 PolarHBondContact O-N 3.29Å; A821-T829 PolarHBondContact O-OG1 2.82Å; A821-G832 WeakPolarHBondContact O-CA 3.42Å; A821-L835 HydrophobicContact CB-CD1 3.98Å |
| 822 | L | 94.7 | Very high | 92 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 150.6 | 162.9 | -64.4 | 178.9 | 0 | 0 | 0 | 109.8 | K786 L816 K817 E827 L828 | K786-L822 HydrophobicContact CB-CD2 4.42Å; K786-L822 HydrophobicContact CG-CD2 4.11Å; L816-L822 HydrophobicContact CB-CB 4.38Å; L816-L822 HydrophobicContact CB-CD1 3.82Å; L816-L822 HydrophobicContact CB-CG 3.8Å; L816-L822 HydrophobicContact CD1-CD1 3.9Å; L816-L822 HydrophobicContact CD1-CG 4.22Å; L816-L822 PolarHBondContact O-N 3.03Å; K817-L822 HydrophobicContact CG-CB 3.9Å; L822-E827 CarbonylContact C-O 3.45Å; L822-E827 VanDerWaalsContact CA-O 3.28Å; L822-E827 WeakPolarHBondContact CA-O 3.44Å; L822-L828 HydrophobicContact CD2-CD1 3.96Å |
| 823 | D | 93.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | trans | -90.4 | -170.3 | 176.1 | 70.9 | 13.8 | 0 | 0 | 0 | 113 | A299 K817 N825 D826 E827 T829 | A299-D823 PolarHBondContact N-OD2 2.83Å; K817-D823 WeakPolarHBondContact CE-O 3.13Å; D823-N825 PolarHBondContact O-N 2.98Å; D823-N825 VanDerWaalsContact OD1-CA 3.25Å; D823-N825 WeakPolarHBondContact OD1-CA 3.31Å; D823-N825 VanDerWaalsContact OD1-CB 3.29Å; D823-N825 WeakPolarHBondContact OD1-CB 3.39Å; D823-N825 PolarHBondContact OD1-N 3.48Å; D823-D826 PolarHBondContact O-N 3.16Å; D823-D826 PolarHBondContact OD1-N 3.24Å; D823-D826 VanDerWaalsContact OD1-N 3.1Å; D823-E827 PolarHBondContact N-O 2.95Å; D823-E827 PolarHBondContact OD1-N 3.35Å; D823-T829 HydrophobicContact CB-CG2 4.12Å | ||
| 824 | K | 89.9 | Confident | 92.3 | Very high | 142 Ų | 142 | 35.1 Ų | 35.1 | 62% | 0.617 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.2 | 178.7 | -57 | 178.3 | -154.8 | 76 | 0 | 113.1 | D298 D826 | D298-K824 WeakPolarHBondContact OD1-CB 3.11Å; D298-K824 VanDerWaalsContact OD1-CG 3.28Å; D298-K824 WeakPolarHBondContact OD1-CG 3.14Å; D298-K824 PolarHBondContact OD1-N 3.43Å; D298-K824 IonicContact OD1-NZ 2.69Å; D298-K824 PolarHBondContact OD1-NZ 2.88Å; D298-K824 IonicContact OD2-NZ 2.67Å; D298-K824 PolarHBondContact OD2-NZ 2.82Å; K824-D826 VanDerWaalsContact C-N 3.33Å |
| 825 | N | 91.2 | Very high | 92.5 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.3 | 179.4 | -76.5 | -33.3 | 0 | 0 | 0 | 113.5 | A299 K301 D823 E827 | A299-N825 PolarHBondContact O-ND2 3.2Å; K301-N825 WeakPolarHBondContact CE-O 3.42Å; K301-N825 HydrophobicContact CG-CB 3.81Å; K301-N825 PolarHBondContact NZ-O 2.93Å; D823-N825 PolarHBondContact O-N 2.98Å; D823-N825 VanDerWaalsContact OD1-CA 3.25Å; D823-N825 WeakPolarHBondContact OD1-CA 3.31Å; D823-N825 VanDerWaalsContact OD1-CB 3.29Å; D823-N825 WeakPolarHBondContact OD1-CB 3.39Å; D823-N825 PolarHBondContact OD1-N 3.48Å; N825-E827 HydrophobicContact CB-CG 4.31Å |
| 826 | D | 91.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 67.9 | 16.4 | -168.4 | -62.9 | -86.8 | 0 | 0 | 0 | 113.3 | K786 K817 D823 K824 | K786-D826 VanDerWaalsContact CD-O 3.26Å; K786-D826 WeakPolarHBondContact CD-O 3.36Å; K786-D826 WeakPolarHBondContact CE-O 3.48Å; K786-D826 PolarHBondContact NZ-O 3.08Å; K817-D826 WeakPolarHBondContact CE-OD1 3.01Å; K817-D826 IonicContact NZ-OD1 2.77Å; K817-D826 PolarHBondContact NZ-OD1 3.44Å; K817-D826 IonicContact NZ-OD2 2.66Å; K817-D826 PolarHBondContact NZ-OD2 3.06Å; D823-D826 PolarHBondContact O-N 3.16Å; D823-D826 PolarHBondContact OD1-N 3.24Å; D823-D826 VanDerWaalsContact OD1-N 3.1Å; K824-D826 VanDerWaalsContact C-N 3.33Å |
| 827 | E | 93.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -92.3 | 158.6 | 178 | -63.2 | -54.2 | 158.3 | 0 | 0 | 113.1 | A299 K301 Q302 K786 L822 D823 N825 T829 | A299-E827 HydrophobicContact CB-CB 3.98Å; K301-E827 WeakPolarHBondContact CA-OE1 3.44Å; Q302-E827 PolarHBondContact N-OE1 3.14Å; K786-E827 VanDerWaalsContact NZ-CD 3.27Å; K786-E827 IonicContact NZ-OE1 3.76Å; K786-E827 PolarHBondContact NZ-OE1 3.1Å; K786-E827 VanDerWaalsContact NZ-OE1 3.08Å; K786-E827 IonicContact NZ-OE2 2.66Å; K786-E827 PolarHBondContact NZ-OE2 3.34Å; K786-E827 VanDerWaalsContact NZ-OE2 3.14Å; L822-E827 CarbonylContact C-O 3.45Å; L822-E827 VanDerWaalsContact CA-O 3.28Å; L822-E827 WeakPolarHBondContact CA-O 3.44Å; D823-E827 PolarHBondContact N-O 2.95Å; D823-E827 PolarHBondContact OD1-N 3.35Å; N825-E827 HydrophobicContact CB-CG 4.31Å; E827-T829 PolarHBondContact O-N 3.09Å |
| 828 | L | 93.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 15% | 0.152 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 116.6 | -169.2 | -160.8 | 69.3 | 0 | 0 | 0 | 111 | L783 K786 L787 L822 F833 | L783-L828 HydrophobicContact CD2-CD1 3.67Å; K786-L828 HydrophobicContact CB-CB 4.41Å; K786-L828 HydrophobicContact CB-CD1 4.08Å; L787-L828 HydrophobicContact CB-CD2 4.25Å; L787-L828 HydrophobicContact CD1-CD2 4.21Å; L822-L828 HydrophobicContact CD2-CD1 3.96Å; L828-F833 HydrophobicContact CD2-CB 4.09Å; L828-F833 HydrophobicContact CD2-CD2 4.21Å; L828-F833 HydrophobicContact CG-CB 4.37Å |
| 829 | T | 95.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 165.1 | 176.4 | 69.5 | 0 | 0 | 0 | 0 | 111 | F296 K820 A821 D823 E827 L831 G832 F833 | F296-T829 HydrophobicContact CB-CG2 4.16Å; F296-T829 HydrophobicContact CD2-CG2 3.93Å; F296-T829 HydrophobicContact CG-CG2 4.28Å; K820-T829 WeakPolarHBondContact O-CB 3.07Å; K820-T829 WeakPolarHBondContact O-CG2 3.2Å; K820-T829 PolarHBondContact O-OG1 3.26Å; A821-T829 WeakPolarHBondContact CA-OG1 3.33Å; A821-T829 PolarHBondContact O-N 3.29Å; A821-T829 PolarHBondContact O-OG1 2.82Å; D823-T829 HydrophobicContact CB-CG2 4.12Å; E827-T829 PolarHBondContact O-N 3.09Å; T829-L831 PolarHBondContact O-N 3.15Å; T829-L831 PolarHBondContact OG1-N 3.04Å; T829-G832 CarbonylContact O-C 3.59Å; T829-G832 WeakPolarHBondContact O-CA 3.34Å; T829-G832 PolarHBondContact O-N 2.91Å; T829-G832 PolarHBondContact OG1-N 3.17Å; T829-F833 WeakPolarHBondContact O-CB 3.24Å; T829-F833 PolarHBondContact O-N 3.11Å |
| 830 | P | 94.5 | Very high | 92.1 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 29% | 0.286 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -52.1 | -38.2 | 169.8 | -28 | 35.1 | 0 | 0 | 0 | 113.4 | F296 I834 C1103 L1104 | F296-P830 HydrophobicContact CD1-CB 4.19Å; F296-P830 HydrophobicContact CD1-CG 3.79Å; F296-P830 HydrophobicContact CE1-CB 3.98Å; F296-P830 HydrophobicContact CE1-CG 4.1Å; P830-I834 WeakPolarHBondContact O-CG1 3.23Å; P830-I834 PolarHBondContact O-N 3.16Å; P830-C1103 HydrophobicContact CB-CB 4.3Å; P830-C1103 WeakPolarHBondContact CB-O 3.25Å; P830-L1104 HydrophobicContact CG-CD2 3.89Å |
| 831 | L | 95.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -52.3 | 170.4 | 173 | 59.6 | 0 | 0 | 0 | 111.2 | F296 M819 T829 F833 I834 L835 K846 I849 C1103 | F296-L831 HydrophobicContact CE2-CB 3.63Å; F296-L831 HydrophobicContact CE2-CD2 4.29Å; F296-L831 HydrophobicContact CZ-CB 3.59Å; M819-L831 WeakPolarHBondContact O-CD2 3.33Å; T829-L831 PolarHBondContact O-N 3.15Å; T829-L831 PolarHBondContact OG1-N 3.04Å; L831-F833 PolarHBondContact O-N 3.41Å; L831-I834 PolarHBondContact O-N 3.31Å; L831-I834 VanDerWaalsContact O-N 3.16Å; L831-L835 HydrophobicContact CD1-CD1 3.78Å; L831-L835 HydrophobicContact CD1-CD2 4.27Å; L831-L835 HydrophobicContact CD1-CG 3.87Å; L831-L835 HydrophobicContact CG-CD1 3.77Å; L831-L835 HydrophobicContact CG-CG 4.27Å; L831-L835 VanDerWaalsContact O-CG 3.26Å; L831-L835 WeakPolarHBondContact O-CG 3.44Å; L831-L835 PolarHBondContact O-N 2.88Å; L831-K846 HydrophobicContact CD1-CG 4.36Å; L831-K846 HydrophobicContact CD2-CD 4.14Å; L831-K846 HydrophobicContact CD2-CG 4.31Å; L831-I849 HydrophobicContact CD1-CD1 3.59Å; L831-C1103 HydrophobicContact CB-CB 4.31Å |
| 832 | G | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -34.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A821 T829 L835 A836 | A821-G832 WeakPolarHBondContact O-CA 3.42Å; T829-G832 CarbonylContact O-C 3.59Å; T829-G832 WeakPolarHBondContact O-CA 3.34Å; T829-G832 PolarHBondContact O-N 2.91Å; T829-G832 PolarHBondContact OG1-N 3.17Å; G832-L835 PolarHBondContact O-N 3.44Å; G832-A836 VanDerWaalsContact O-CB 3.28Å; G832-A836 WeakPolarHBondContact O-CB 3.26Å; G832-A836 PolarHBondContact O-N 3.44Å |
| 833 | F | 93 | Very high | 91.4 | Very high | 80 Ų | 80 | 27.6 Ų | 27.6 | 35% | 0.351 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 177.9 | -178.5 | -123.1 | 0 | 0 | 0 | 112.7 | L787 L828 T829 L831 R837 | L787-F833 HydrophobicContact CD1-CD2 3.72Å; L787-F833 HydrophobicContact CD1-CE2 4.02Å; L828-F833 HydrophobicContact CD2-CB 4.09Å; L828-F833 HydrophobicContact CD2-CD2 4.21Å; L828-F833 HydrophobicContact CG-CB 4.37Å; T829-F833 WeakPolarHBondContact O-CB 3.24Å; T829-F833 PolarHBondContact O-N 3.11Å; L831-F833 PolarHBondContact O-N 3.41Å; F833-R837 VanDerWaalsContact CE1-NH1 3.27Å; F833-R837 VanDerWaalsContact CZ-NH1 3.25Å |
| 834 | I | 93.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -49.7 | 170.9 | -62.7 | 161.9 | 0 | 0 | 0 | 109.5 | P830 L831 A836 R837 L838 I849 L948 L951 F953 C1103 | P830-I834 WeakPolarHBondContact O-CG1 3.23Å; P830-I834 PolarHBondContact O-N 3.16Å; L831-I834 PolarHBondContact O-N 3.31Å; L831-I834 VanDerWaalsContact O-N 3.16Å; I834-A836 PolarHBondContact O-N 2.99Å; I834-R837 PolarHBondContact O-N 3.13Å; I834-L838 HydrophobicContact CG2-CD1 3.89Å; I834-L838 HydrophobicContact CG2-CG 4.41Å; I834-L838 WeakPolarHBondContact O-CG 3.28Å; I834-L838 PolarHBondContact O-N 3.5Å; I834-I849 HydrophobicContact CB-CD1 4.03Å; I834-I849 HydrophobicContact CG2-CD1 3.46Å; I834-I849 VanDerWaalsContact CG2-CD1 3.46Å; I834-I849 HydrophobicContact CG2-CG1 3.83Å; I834-L948 HydrophobicContact CG2-CD2 3.99Å; I834-L951 HydrophobicContact CB-CD1 4.48Å; I834-L951 HydrophobicContact CG1-CD1 4.48Å; I834-L951 HydrophobicContact CG2-CD1 3.96Å; I834-F953 HydrophobicContact CD1-CE2 4.08Å; I834-F953 HydrophobicContact CD1-CZ 4.15Å; I834-C1103 HydrophobicContact CD1-CB 4.19Å |
| 835 | L | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | -178.1 | -66 | 176.4 | 0 | 0 | 0 | 113 | L783 A821 L831 G832 R837 L838 P842 I849 | L783-L835 HydrophobicContact CD1-CB 4.2Å; A821-L835 HydrophobicContact CB-CD1 3.98Å; L831-L835 HydrophobicContact CD1-CD1 3.78Å; L831-L835 HydrophobicContact CD1-CD2 4.27Å; L831-L835 HydrophobicContact CD1-CG 3.87Å; L831-L835 HydrophobicContact CG-CD1 3.77Å; L831-L835 HydrophobicContact CG-CG 4.27Å; L831-L835 VanDerWaalsContact O-CG 3.26Å; L831-L835 WeakPolarHBondContact O-CG 3.44Å; L831-L835 PolarHBondContact O-N 2.88Å; G832-L835 PolarHBondContact O-N 3.44Å; L835-R837 PolarHBondContact O-N 3.24Å; L835-L838 HydrophobicContact CD2-CD1 4.49Å; L835-L838 PolarHBondContact O-N 3.13Å; L835-L838 VanDerWaalsContact O-N 3.09Å; L835-P842 HydrophobicContact CD1-CB 4.21Å; L835-P842 WeakPolarHBondContact CD2-O 3.44Å; L835-I849 HydrophobicContact CD2-CD1 3.83Å; L835-I849 HydrophobicContact CG-CD1 4.34Å |
| 836 | A | 90.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -27.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R473 L783 L787 G832 I834 | R473-A836 PolarHBondContact NE-O 3.26Å; R473-A836 PolarHBondContact NH2-O 3.19Å; L783-A836 HydrophobicContact CB-CB 3.89Å; L783-A836 HydrophobicContact CD2-CB 4.45Å; L787-A836 HydrophobicContact CB-CB 3.82Å; L787-A836 HydrophobicContact CD1-CB 4.23Å; L787-A836 HydrophobicContact CD2-CB 3.86Å; L787-A836 HydrophobicContact CG-CB 4.19Å; G832-A836 VanDerWaalsContact O-CB 3.28Å; G832-A836 WeakPolarHBondContact O-CB 3.26Å; G832-A836 PolarHBondContact O-N 3.44Å; I834-A836 PolarHBondContact O-N 2.99Å |
| 837 | R | 88.7 | Confident | 91.9 | Very high | 44 Ų | 44 | 18.3 Ų | 18.3 | 17% | 0.166 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -82.7 | -25.6 | 175.6 | -72.1 | 177 | 171.3 | 155.5 | -0.6 | 113 | R473 E476 L787 F833 I834 L835 | R473-R837 PolarHBondContact NH1-O 3.13Å; E476-R837 IonicContact OE1-CZ 2.75Å; E476-R837 IonicContact OE1-NE 2.73Å; E476-R837 PolarHBondContact OE1-NE 3.01Å; E476-R837 IonicContact OE1-NH2 3.95Å; E476-R837 PolarHBondContact OE1-NH2 3.24Å; E476-R837 IonicContact OE2-CZ 3.94Å; E476-R837 IonicContact OE2-NE 2.91Å; E476-R837 PolarHBondContact OE2-NE 3.25Å; E476-R837 IonicContact OE2-NH2 2.93Å; L787-R837 HydrophobicContact CD1-CG 4.19Å; L787-R837 HydrophobicContact CD2-CG 3.96Å; F833-R837 VanDerWaalsContact CE1-NH1 3.27Å; F833-R837 VanDerWaalsContact CZ-NH1 3.25Å; I834-R837 PolarHBondContact O-N 3.13Å; L835-R837 PolarHBondContact O-N 3.24Å |
| 838 | L | 88.8 | Confident | 92.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -74.7 | 132.9 | -179.6 | -71.2 | 170.1 | 0 | 0 | 0 | 111.6 | R473 I834 L835 I840 I849 L944 I947 L948 | R473-L838 VanDerWaalsContact CZ-O 3.29Å; R473-L838 PolarHBondContact NH1-O 3.23Å; R473-L838 VanDerWaalsContact NH1-O 3.12Å; R473-L838 PolarHBondContact NH2-O 2.94Å; I834-L838 HydrophobicContact CG2-CD1 3.89Å; I834-L838 HydrophobicContact CG2-CG 4.41Å; I834-L838 WeakPolarHBondContact O-CG 3.28Å; I834-L838 PolarHBondContact O-N 3.5Å; L835-L838 HydrophobicContact CD2-CD1 4.49Å; L835-L838 PolarHBondContact O-N 3.13Å; L835-L838 VanDerWaalsContact O-N 3.09Å; L838-I840 HydrophobicContact CB-CD1 4.16Å; L838-I840 HydrophobicContact CB-CG1 3.77Å; L838-I840 HydrophobicContact CD1-CD1 4.41Å; L838-I840 PolarHBondContact O-N 3.19Å; L838-I849 HydrophobicContact CD1-CD1 4.41Å; L838-I849 HydrophobicContact CD1-CG1 4.43Å; L838-L944 HydrophobicContact CD2-CD2 4.01Å; L838-I947 HydrophobicContact CD2-CB 4.31Å; L838-I947 HydrophobicContact CD2-CG2 3.79Å; L838-L948 HydrophobicContact CD1-CD2 4.33Å; L838-L948 HydrophobicContact CD2-CD2 4.12Å; L838-L948 HydrophobicContact CD2-CG 4.13Å |
| 839 | P | 84.5 | Confident | 92.2 | Very high | 14 Ų | 14 | 16.4 Ų | 16.4 | 9% | 0.091 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -77.8 | 41.9 | -175.7 | 31.5 | -38.2 | 0 | 0 | 0 | 114.4 | R451 F452 L944 I947 | R451-P839 HydrophobicContact CG-CB 4.29Å; R451-P839 PolarHBondContact NE-O 2.57Å; R451-P839 PolarHBondContact NH1-O 3.5Å; R451-P839 PolarHBondContact NH2-O 3.03Å; F452-P839 HydrophobicContact CD1-CG 4.42Å; F452-P839 HydrophobicContact CE1-CB 4.14Å; F452-P839 HydrophobicContact CE1-CG 3.43Å; F452-P839 VanDerWaalsContact CE1-CG 3.43Å; F452-P839 HydrophobicContact CZ-CB 4.17Å; F452-P839 HydrophobicContact CZ-CG 3.76Å; P839-L944 HydrophobicContact CG-CD2 3.84Å; P839-I947 HydrophobicContact CG-CD1 4.09Å |
| 840 | I | 87.6 | Confident | 92.2 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.036 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -149.1 | 165.3 | -168.1 | 50.6 | 173.3 | 0 | 0 | 0 | 111 | L838 L848 T864 L944 | L838-I840 HydrophobicContact CB-CD1 4.16Å; L838-I840 HydrophobicContact CB-CG1 3.77Å; L838-I840 HydrophobicContact CD1-CD1 4.41Å; L838-I840 PolarHBondContact O-N 3.19Å; I840-L848 HydrophobicContact CD1-CD2 4.15Å; I840-T864 HydrophobicContact CB-CG2 4.32Å; I840-T864 HydrophobicContact CD1-CG2 3.33Å; I840-T864 HydrophobicContact CG1-CG2 4.4Å; I840-T864 HydrophobicContact CG2-CG2 4.01Å; I840-L944 HydrophobicContact CD1-CD2 3.9Å; I840-L944 HydrophobicContact CG1-CD2 4.23Å; I840-L944 HydrophobicContact CG2-CD1 4.29Å; I840-L944 HydrophobicContact CG2-CD2 4.04Å |
| 841 | E | 84.5 | Confident | 92.2 | Very high | 44 Ų | 44 | 14.1 Ų | 14.1 | 21% | 0.206 | 6% | 0.064 | C | C | . | . | trans | -61.8 | 144.4 | 176.3 | -175.4 | -73.5 | 147.6 | 0 | 0 | 110.6 | R843 L844 G845 | E841-R843 PolarHBondContact O-N 3.18Å; E841-R843 WeakPolarHBondContact OE1-CG 3.48Å; E841-R843 PolarHBondContact OE1-N 2.75Å; E841-R843 VanDerWaalsContact OE1-N 3.11Å; E841-R843 WeakPolarHBondContact OE2-CA 3.34Å; E841-R843 VanDerWaalsContact OE2-CB 3.3Å; E841-R843 WeakPolarHBondContact OE2-CB 3.49Å; E841-R843 PolarHBondContact OE2-N 3.03Å; E841-L844 HydrophobicContact CB-CD1 4.4Å; E841-L844 PolarHBondContact O-N 3.28Å; E841-L844 PolarHBondContact OE2-N 3.15Å; E841-G845 PolarHBondContact O-N 3.39Å | ||
| 842 | P | 90.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.013 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.8 | -32.2 | -169.4 | -26.6 | 37.6 | 0 | 0 | 0 | 116.9 | L783 L816 M819 L835 G845 K846 | L783-P842 HydrophobicContact CD1-CB 4.13Å; L783-P842 HydrophobicContact CD1-CG 3.57Å; L816-P842 HydrophobicContact CD2-CG 4.34Å; M819-P842 HydrophobicContact CE-CB 3.63Å; M819-P842 HydrophobicContact CE-CG 4.33Å; M819-P842 HydrophobicContact SD-CB 4.09Å; L835-P842 HydrophobicContact CD1-CB 4.21Å; L835-P842 WeakPolarHBondContact CD2-O 3.44Å; P842-G845 PolarHBondContact O-N 3.17Å; P842-K846 WeakPolarHBondContact O-CB 3.29Å; P842-K846 PolarHBondContact O-N 3.19Å |
| 843 | R | 90.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 14.2 Ų | 14.2 | 15% | 0.147 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 175.7 | -60.1 | 174 | -177.5 | -93.2 | -15.1 | 110.7 | E818 M819 E841 G845 K846 M847 G983 Y985 | E818-R843 IonicContact OE2-CZ 3.01Å; E818-R843 IonicContact OE2-NH2 3.5Å; E818-R843 PolarHBondContact OE2-NH2 2.97Å; M819-R843 HydrophobicContact CG-CG 4.5Å; M819-R843 HydrophobicContact SD-CB 4.39Å; M819-R843 HydrophobicContact SD-CG 3.33Å; M819-R843 WeakPolarHBondContact SD-CG 3.33Å; E841-R843 PolarHBondContact O-N 3.18Å; E841-R843 WeakPolarHBondContact OE1-CG 3.48Å; E841-R843 PolarHBondContact OE1-N 2.75Å; E841-R843 VanDerWaalsContact OE1-N 3.11Å; E841-R843 WeakPolarHBondContact OE2-CA 3.34Å; E841-R843 VanDerWaalsContact OE2-CB 3.3Å; E841-R843 WeakPolarHBondContact OE2-CB 3.49Å; E841-R843 PolarHBondContact OE2-N 3.03Å; R843-G845 VanDerWaalsContact C-N 3.31Å; R843-G845 PolarHBondContact O-N 2.85Å; R843-K846 WeakPolarHBondContact O-CB 3.46Å; R843-K846 PolarHBondContact O-N 3.3Å; R843-K846 VanDerWaalsContact O-N 3.17Å; R843-M847 PolarHBondContact O-N 2.71Å; R843-G983 WeakPolarHBondContact CB-O 3.46Å; R843-Y985 WeakPolarHBondContact CD-O 3.46Å; R843-Y985 PolarHBondContact NH1-O 3.09Å |
| 844 | L | 93 | Very high | 92.2 | Very high | 12 Ų | 12 | 10.7 Ų | 10.7 | 6% | 0.063 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 171.7 | -63.7 | -179.1 | 0 | 0 | 0 | 112.1 | E841 M847 L848 T864 A867 L984 | E841-L844 HydrophobicContact CB-CD1 4.4Å; E841-L844 PolarHBondContact O-N 3.28Å; E841-L844 PolarHBondContact OE2-N 3.15Å; L844-M847 HydrophobicContact CD2-CE 4.17Å; L844-M847 WeakPolarHBondContact O-CB 3.44Å; L844-M847 PolarHBondContact O-N 3.08Å; L844-L848 WeakPolarHBondContact O-CB 3.43Å; L844-L848 PolarHBondContact O-N 2.89Å; L844-T864 HydrophobicContact CB-CG2 4.09Å; L844-A867 HydrophobicContact CD1-CB 3.84Å; L844-A867 HydrophobicContact CD2-CB 4.35Å; L844-L984 HydrophobicContact CD2-CD2 4.01Å |
| 845 | G | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E841 P842 R843 L848 I849 | E841-G845 PolarHBondContact O-N 3.39Å; P842-G845 PolarHBondContact O-N 3.17Å; R843-G845 VanDerWaalsContact C-N 3.31Å; R843-G845 PolarHBondContact O-N 2.85Å; G845-L848 PolarHBondContact O-N 3.37Å; G845-I849 WeakPolarHBondContact O-CD1 3.36Å; G845-I849 VanDerWaalsContact O-CG1 3.27Å; G845-I849 WeakPolarHBondContact O-CG1 3.47Å; G845-I849 PolarHBondContact O-N 3.39Å |
| 846 | K | 94.5 | Very high | 92.3 | Very high | 31 Ų | 31 | 15.1 Ų | 15.1 | 14% | 0.135 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.3 | -170.5 | 175.2 | -179.7 | 171.5 | 0 | 111.2 | M819 L831 P842 R843 F850 L1099 | M819-K846 PolarHBondContact O-NZ 3.3Å; L831-K846 HydrophobicContact CD1-CG 4.36Å; L831-K846 HydrophobicContact CD2-CD 4.14Å; L831-K846 HydrophobicContact CD2-CG 4.31Å; P842-K846 WeakPolarHBondContact O-CB 3.29Å; P842-K846 PolarHBondContact O-N 3.19Å; R843-K846 WeakPolarHBondContact O-CB 3.46Å; R843-K846 PolarHBondContact O-N 3.3Å; R843-K846 VanDerWaalsContact O-N 3.17Å; K846-F850 WeakPolarHBondContact O-CB 3.29Å; K846-F850 PolarHBondContact O-N 3.19Å; K846-F850 VanDerWaalsContact O-N 3.11Å; K846-L1099 HydrophobicContact CD-CD2 4.22Å; K846-L1099 HydrophobicContact CG-CD2 3.81Å |
| 847 | M | 95.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.015 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 172.2 | 178.9 | -173.4 | 75.1 | 0 | 0 | 112.2 | R843 L844 F850 A851 T864 L979 L980 | R843-M847 PolarHBondContact O-N 2.71Å; L844-M847 HydrophobicContact CD2-CE 4.17Å; L844-M847 WeakPolarHBondContact O-CB 3.44Å; L844-M847 PolarHBondContact O-N 3.08Å; M847-F850 PolarHBondContact O-N 3.11Å; M847-A851 PolarHBondContact O-N 2.85Å; M847-T864 WeakPolarHBondContact CE-OG1 3.2Å; M847-L979 HydrophobicContact CG-CB 3.95Å; M847-L979 WeakPolarHBondContact CG-O 3.39Å; M847-L980 HydrophobicContact CE-CD2 4.37Å; M847-L980 HydrophobicContact SD-CD2 3.79Å; M847-L980 HydrophobicContact SD-CG 4.13Å |
| 848 | L | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | -179.2 | 175.3 | 60.4 | 0 | 0 | 0 | 112.6 | I840 L844 G845 F850 A851 C852 G857 A860 A861 T864 L944 L948 | I840-L848 HydrophobicContact CD1-CD2 4.15Å; L844-L848 WeakPolarHBondContact O-CB 3.43Å; L844-L848 PolarHBondContact O-N 2.89Å; G845-L848 PolarHBondContact O-N 3.37Å; L848-F850 VanDerWaalsContact C-N 3.29Å; L848-F850 PolarHBondContact O-N 3.39Å; L848-A851 PolarHBondContact O-N 3.27Å; L848-C852 PolarHBondContact O-N 2.91Å; L848-C852 PolarHBondContact O-SG 3.4Å; L848-G857 WeakPolarHBondContact CD1-O 3.35Å; L848-A860 HydrophobicContact CD1-CB 3.82Å; L848-A861 HydrophobicContact CD1-CB 3.99Å; L848-T864 HydrophobicContact CD2-CG2 4.39Å; L848-L944 HydrophobicContact CD2-CB 4.06Å; L848-L944 HydrophobicContact CD2-CD1 4.13Å; L848-L944 HydrophobicContact CD2-CD2 4.28Å; L848-L944 HydrophobicContact CD2-CG 4.4Å; L848-L948 HydrophobicContact CD1-CD1 4.35Å; L848-L948 HydrophobicContact CD2-CD1 3.84Å; L848-L948 HydrophobicContact CG-CD1 3.82Å |
| 849 | I | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 174.8 | -66.5 | 161 | 0 | 0 | 0 | 110.1 | L831 I834 L835 L838 G845 A851 C852 L948 F953 L1099 T1102 | L831-I849 HydrophobicContact CD1-CD1 3.59Å; I834-I849 HydrophobicContact CB-CD1 4.03Å; I834-I849 HydrophobicContact CG2-CD1 3.46Å; I834-I849 VanDerWaalsContact CG2-CD1 3.46Å; I834-I849 HydrophobicContact CG2-CG1 3.83Å; L835-I849 HydrophobicContact CD2-CD1 3.83Å; L835-I849 HydrophobicContact CG-CD1 4.34Å; L838-I849 HydrophobicContact CD1-CD1 4.41Å; L838-I849 HydrophobicContact CD1-CG1 4.43Å; G845-I849 WeakPolarHBondContact O-CD1 3.36Å; G845-I849 VanDerWaalsContact O-CG1 3.27Å; G845-I849 WeakPolarHBondContact O-CG1 3.47Å; G845-I849 PolarHBondContact O-N 3.39Å; I849-A851 VanDerWaalsContact C-N 3.34Å; I849-A851 PolarHBondContact O-N 3.49Å; I849-C852 WeakPolarHBondContact O-CB 3.44Å; I849-C852 PolarHBondContact O-N 3.15Å; I849-L948 HydrophobicContact CG1-CD2 4.4Å; I849-F953 HydrophobicContact CG2-CE1 4.09Å; I849-F953 HydrophobicContact CG2-CZ 3.83Å; I849-L1099 HydrophobicContact CB-CD1 4.38Å; I849-L1099 HydrophobicContact CG2-CD1 3.74Å; I849-T1102 HydrophobicContact CG2-CG2 4.19Å |
| 850 | F | 94.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.018 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | -178.2 | -151.8 | 173 | 0 | 0 | 0 | 112.2 | K846 M847 L848 C852 V853 F854 L979 F1052 L1095 L1098 L1099 | K846-F850 WeakPolarHBondContact O-CB 3.29Å; K846-F850 PolarHBondContact O-N 3.19Å; K846-F850 VanDerWaalsContact O-N 3.11Å; M847-F850 PolarHBondContact O-N 3.11Å; L848-F850 VanDerWaalsContact C-N 3.29Å; L848-F850 PolarHBondContact O-N 3.39Å; F850-C852 PolarHBondContact O-N 3.32Å; F850-V853 HydrophobicContact CD2-CB 4.49Å; F850-V853 HydrophobicContact CD2-CG2 4.19Å; F850-V853 WeakPolarHBondContact O-CB 3.44Å; F850-V853 WeakPolarHBondContact O-CG2 3.26Å; F850-V853 PolarHBondContact O-N 3.26Å; F850-V853 VanDerWaalsContact O-N 3.15Å; F850-F854 AromaticContact CD2-CE2 3.82Å; F850-F854 HydrophobicContact CD2-CE2 3.82Å; F850-F854 AromaticContact CE2-CE2 3.97Å; F850-F854 HydrophobicContact CE2-CE2 3.97Å; F850-F854 HydrophobicContact CE2-CZ 4.26Å; F850-F854 HydrophobicContact CG-CE2 4.49Å; F850-F854 VanDerWaalsContact O-CD2 3.26Å; F850-F854 WeakPolarHBondContact O-CD2 3.23Å; F850-F854 WeakPolarHBondContact O-CE2 3.23Å; F850-L979 HydrophobicContact CB-CD2 3.97Å; F850-L979 HydrophobicContact CD1-CD2 3.74Å; F850-L979 HydrophobicContact CE1-CD2 4.43Å; F850-L979 HydrophobicContact CG-CD2 3.84Å; F850-F1052 AromaticContact CE1-CE1 3.72Å; F850-F1052 HydrophobicContact CE1-CE1 3.72Å; F850-F1052 AromaticContact CE1-CZ 3.68Å; F850-F1052 HydrophobicContact CE1-CZ 3.68Å; F850-F1052 HydrophobicContact CZ-CZ 4.24Å; F850-L1095 HydrophobicContact CZ-CB 4.22Å; F850-L1095 VanDerWaalsContact CZ-O 3.24Å; F850-L1095 WeakPolarHBondContact CZ-O 3.09Å; F850-L1098 HydrophobicContact CE2-CB 4.47Å; F850-L1098 HydrophobicContact CE2-CD2 4.06Å; F850-L1098 HydrophobicContact CE2-CG 4.16Å; F850-L1099 HydrophobicContact CB-CD1 4.03Å; F850-L1099 HydrophobicContact CD1-CD2 4.5Å; F850-L1099 HydrophobicContact CD2-CB 4.42Å; F850-L1099 HydrophobicContact CD2-CD1 4.43Å; F850-L1099 HydrophobicContact CE2-CB 4.34Å; F850-L1099 HydrophobicContact CG-CD1 4.15Å; F850-L1099 HydrophobicContact CZ-CB 4.39Å |
| 851 | A | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.2 | -28.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M847 L848 I849 V853 F854 L856 G857 A860 L979 | M847-A851 PolarHBondContact O-N 2.85Å; L848-A851 PolarHBondContact O-N 3.27Å; I849-A851 VanDerWaalsContact C-N 3.34Å; I849-A851 PolarHBondContact O-N 3.49Å; A851-V853 PolarHBondContact O-N 3.39Å; A851-F854 PolarHBondContact O-N 3.25Å; A851-F854 VanDerWaalsContact O-N 3.13Å; A851-L856 HydrophobicContact CB-CB 4.47Å; A851-L856 CarbonylContact O-C 3.51Å; A851-L856 WeakPolarHBondContact O-CA 3.26Å; A851-L856 PolarHBondContact O-N 2.93Å; A851-G857 PolarHBondContact O-N 3.03Å; A851-A860 HydrophobicContact CB-CB 3.27Å; A851-L979 HydrophobicContact CB-CD1 3.78Å |
| 852 | C | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | L848 I849 F850 F854 N855 F953 S957 V1109 | L848-C852 PolarHBondContact O-N 2.91Å; L848-C852 PolarHBondContact O-SG 3.4Å; I849-C852 WeakPolarHBondContact O-CB 3.44Å; I849-C852 PolarHBondContact O-N 3.15Å; F850-C852 PolarHBondContact O-N 3.32Å; C852-F854 PolarHBondContact O-N 2.89Å; C852-F854 VanDerWaalsContact O-N 3.15Å; C852-N855 PolarHBondContact O-N 2.9Å; C852-F953 HydrophobicContact CB-CD1 3.88Å; C852-F953 HydrophobicContact CB-CE1 4.18Å; C852-S957 WeakPolarHBondContact O-CB 3.31Å; C852-V1109 WeakPolarHBondContact O-CG1 3.45Å |
| 853 | V | 94.1 | Very high | 95 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.024 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.4 | 178.5 | -171.9 | 0 | 0 | 0 | 0 | 112.9 | F850 A851 L1098 T1102 L1112 I1120 | F850-V853 HydrophobicContact CD2-CB 4.49Å; F850-V853 HydrophobicContact CD2-CG2 4.19Å; F850-V853 WeakPolarHBondContact O-CB 3.44Å; F850-V853 WeakPolarHBondContact O-CG2 3.26Å; F850-V853 PolarHBondContact O-N 3.26Å; F850-V853 VanDerWaalsContact O-N 3.15Å; A851-V853 PolarHBondContact O-N 3.39Å; V853-L1098 HydrophobicContact CG1-CD1 3.76Å; V853-L1098 HydrophobicContact CG1-CD2 3.94Å; V853-L1098 HydrophobicContact CG1-CG 3.86Å; V853-T1102 HydrophobicContact CG2-CG2 3.79Å; V853-T1102 WeakPolarHBondContact CG2-OG1 3.43Å; V853-L1112 HydrophobicContact CG1-CD1 4.18Å; V853-I1120 HydrophobicContact CG1-CD1 3.77Å; V853-I1120 HydrophobicContact CG1-CG1 4.39Å |
| 854 | F | 93.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 3% | 0.026 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 4.4 | 178.2 | -57.5 | -83.7 | 0 | 0 | 0 | 113 | F850 A851 C852 L856 I975 L979 I1120 L1123 | F850-F854 AromaticContact CD2-CE2 3.82Å; F850-F854 HydrophobicContact CD2-CE2 3.82Å; F850-F854 AromaticContact CE2-CE2 3.97Å; F850-F854 HydrophobicContact CE2-CE2 3.97Å; F850-F854 HydrophobicContact CE2-CZ 4.26Å; F850-F854 HydrophobicContact CG-CE2 4.49Å; F850-F854 VanDerWaalsContact O-CD2 3.26Å; F850-F854 WeakPolarHBondContact O-CD2 3.23Å; F850-F854 WeakPolarHBondContact O-CE2 3.23Å; A851-F854 PolarHBondContact O-N 3.25Å; A851-F854 VanDerWaalsContact O-N 3.13Å; C852-F854 PolarHBondContact O-N 2.89Å; C852-F854 VanDerWaalsContact O-N 3.15Å; F854-L856 HydrophobicContact CB-CB 4.4Å; F854-L856 HydrophobicContact CB-CD1 3.98Å; F854-L856 HydrophobicContact CB-CG 4.13Å; F854-L856 PolarHBondContact O-N 3.36Å; F854-I975 HydrophobicContact CB-CG2 4.13Å; F854-I975 HydrophobicContact CD1-CG2 3.99Å; F854-I975 HydrophobicContact CD2-CG2 4.09Å; F854-I975 HydrophobicContact CE1-CD1 4.5Å; F854-I975 HydrophobicContact CE1-CG2 4.49Å; F854-I975 HydrophobicContact CG-CG2 3.78Å; F854-L979 HydrophobicContact CD2-CD1 4Å; F854-L979 HydrophobicContact CE2-CD1 4.29Å; F854-L979 HydrophobicContact CE2-CD2 4.29Å; F854-I1120 HydrophobicContact CD1-CG1 4.42Å; F854-I1120 HydrophobicContact CD1-CG2 3.91Å; F854-I1120 HydrophobicContact CE1-CB 4.27Å; F854-I1120 HydrophobicContact CE1-CG1 3.91Å; F854-I1120 HydrophobicContact CE1-CG2 3.92Å; F854-I1120 HydrophobicContact CZ-CG1 4.5Å; F854-L1123 HydrophobicContact CE1-CD2 3.75Å; F854-L1123 HydrophobicContact CZ-CD2 3.51Å |
| 855 | N | 93.6 | Very high | 95 | Very high | 89 Ų | 89 | 8.1 Ų | 8.1 | 48% | 0.476 | 4% | 0.044 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 28.7 | -165.6 | -62.3 | -45.3 | 0 | 0 | 0 | 114.1 | C852 S957 | C852-N855 PolarHBondContact O-N 2.9Å; N855-S957 WeakPolarHBondContact OD1-CA 3.34Å |
| 856 | L | 95.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 7% | 0.068 | 5% | 0.051 | C | C | . | . | trans | -110.4 | 14.8 | -179.6 | -64.5 | 173.9 | 0 | 0 | 0 | 112.6 | A851 F854 G858 A859 A860 D972 I975 L976 | A851-L856 HydrophobicContact CB-CB 4.47Å; A851-L856 CarbonylContact O-C 3.51Å; A851-L856 WeakPolarHBondContact O-CA 3.26Å; A851-L856 PolarHBondContact O-N 2.93Å; F854-L856 HydrophobicContact CB-CB 4.4Å; F854-L856 HydrophobicContact CB-CD1 3.98Å; F854-L856 HydrophobicContact CB-CG 4.13Å; F854-L856 PolarHBondContact O-N 3.36Å; L856-G858 VanDerWaalsContact C-N 3.29Å; L856-G858 PolarHBondContact O-N 3.18Å; L856-A859 PolarHBondContact O-N 3.29Å; L856-A860 WeakPolarHBondContact O-CB 3.44Å; L856-A860 PolarHBondContact O-N 2.94Å; L856-D972 HydrophobicContact CD1-CB 4.08Å; L856-D972 HydrophobicContact CD2-CB 3.85Å; L856-I975 HydrophobicContact CD1-CB 4.08Å; L856-I975 HydrophobicContact CD1-CG2 3.77Å; L856-L976 HydrophobicContact CB-CD2 4.27Å; L856-L976 HydrophobicContact CD1-CG 4.31Å | ||
| 857 | G | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.3 | -33.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L848 A851 A861 S957 | L848-G857 WeakPolarHBondContact CD1-O 3.35Å; A851-G857 PolarHBondContact O-N 3.03Å; G857-A861 WeakPolarHBondContact O-CB 3.46Å; G857-A861 PolarHBondContact O-N 3.07Å; G857-S957 VanDerWaalsContact CA-O 3.31Å; G857-S957 WeakPolarHBondContact CA-O 3.23Å; G857-S957 PolarHBondContact N-O 2.83Å |
| 858 | G | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.7 | -52.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L856 A860 A861 V862 | L856-G858 VanDerWaalsContact C-N 3.29Å; L856-G858 PolarHBondContact O-N 3.18Å; G858-A860 PolarHBondContact O-N 3.06Å; G858-A861 WeakPolarHBondContact O-CB 3.47Å; G858-A861 PolarHBondContact O-N 3.29Å; G858-V862 PolarHBondContact O-N 3.07Å |
| 859 | A | 96.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 12.4 Ų | 12.4 | 7% | 0.066 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L856 A861 V862 L863 L902 V963 L976 | L856-A859 PolarHBondContact O-N 3.29Å; A859-A861 VanDerWaalsContact C-N 3.31Å; A859-A861 PolarHBondContact O-N 3.29Å; A859-V862 WeakPolarHBondContact O-CB 3.4Å; A859-V862 PolarHBondContact O-N 3.02Å; A859-L863 PolarHBondContact O-N 3.44Å; A859-L863 VanDerWaalsContact O-N 3.14Å; A859-L902 HydrophobicContact CB-CD1 4.4Å; A859-L902 HydrophobicContact CB-CD2 3.96Å; A859-V963 HydrophobicContact CB-CG2 4.05Å; A859-L976 HydrophobicContact CB-CD1 3.99Å; A859-L976 HydrophobicContact CB-CD2 4.26Å |
| 860 | A | 96.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 2% | 0.017 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.9 | -30.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L848 A851 L856 G858 V862 L863 T864 L976 | L848-A860 HydrophobicContact CD1-CB 3.82Å; A851-A860 HydrophobicContact CB-CB 3.27Å; L856-A860 WeakPolarHBondContact O-CB 3.44Å; L856-A860 PolarHBondContact O-N 2.94Å; G858-A860 PolarHBondContact O-N 3.06Å; A860-V862 VanDerWaalsContact C-N 3.32Å; A860-V862 PolarHBondContact O-N 3.33Å; A860-L863 PolarHBondContact O-N 2.76Å; A860-T864 WeakPolarHBondContact O-CB 2.99Å; A860-T864 PolarHBondContact O-N 3.32Å; A860-T864 PolarHBondContact O-OG1 2.85Å; A860-L976 HydrophobicContact CB-CD2 4.3Å |
| 861 | A | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66 | -35 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L848 G857 G858 A859 S865 A941 L944 R945 | L848-A861 HydrophobicContact CD1-CB 3.99Å; G857-A861 WeakPolarHBondContact O-CB 3.46Å; G857-A861 PolarHBondContact O-N 3.07Å; G858-A861 WeakPolarHBondContact O-CB 3.47Å; G858-A861 PolarHBondContact O-N 3.29Å; A859-A861 VanDerWaalsContact C-N 3.31Å; A859-A861 PolarHBondContact O-N 3.29Å; A861-S865 VanDerWaalsContact O-CB 3.23Å; A861-S865 WeakPolarHBondContact O-CB 3.4Å; A861-S865 PolarHBondContact O-N 3.02Å; A861-S865 PolarHBondContact O-OG 3.21Å; A861-A941 HydrophobicContact CB-CB 4.02Å; A861-L944 HydrophobicContact CB-CB 4.27Å; A861-R945 HydrophobicContact CB-CG 3.84Å |
| 862 | V | 95.2 | Very high | 90 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.6 | -48.4 | 173.2 | 175.9 | 0 | 0 | 0 | 0 | 111 | G858 A859 A860 T864 S865 T866 L902 F905 I937 A941 | G858-V862 PolarHBondContact O-N 3.07Å; A859-V862 WeakPolarHBondContact O-CB 3.4Å; A859-V862 PolarHBondContact O-N 3.02Å; A860-V862 VanDerWaalsContact C-N 3.32Å; A860-V862 PolarHBondContact O-N 3.33Å; V862-T864 PolarHBondContact O-N 2.86Å; V862-S865 PolarHBondContact O-N 2.91Å; V862-T866 WeakPolarHBondContact O-CB 3.32Å; V862-T866 PolarHBondContact O-N 2.68Å; V862-T866 PolarHBondContact O-OG1 2.77Å; V862-L902 HydrophobicContact CB-CD1 3.97Å; V862-L902 HydrophobicContact CG1-CD1 3.84Å; V862-L902 HydrophobicContact CG2-CD1 4.47Å; V862-F905 HydrophobicContact CB-CD1 4.5Å; V862-F905 HydrophobicContact CG1-CB 4.06Å; V862-F905 HydrophobicContact CG1-CD1 3.8Å; V862-F905 HydrophobicContact CG1-CD2 4.07Å; V862-F905 HydrophobicContact CG1-CE1 4.28Å; V862-F905 HydrophobicContact CG1-CG 3.69Å; V862-F905 HydrophobicContact CG2-CD1 3.87Å; V862-F905 HydrophobicContact CG2-CE1 3.6Å; V862-F905 HydrophobicContact CG2-CZ 4.04Å; V862-I937 HydrophobicContact CG1-CG2 3.82Å; V862-A941 HydrophobicContact CG2-CB 3.96Å |
| 863 | L | 95 | Very high | 89.7 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | 176.5 | -64.4 | -174.6 | 0 | 0 | 0 | 111.7 | A859 A860 S865 T866 A867 H898 L902 L976 L980 | A859-L863 PolarHBondContact O-N 3.44Å; A859-L863 VanDerWaalsContact O-N 3.14Å; A860-L863 PolarHBondContact O-N 2.76Å; L863-S865 VanDerWaalsContact C-N 3.32Å; L863-S865 PolarHBondContact O-N 3.38Å; L863-T866 WeakPolarHBondContact O-CB 3.29Å; L863-T866 PolarHBondContact O-N 3.29Å; L863-T866 VanDerWaalsContact O-N 3.15Å; L863-A867 PolarHBondContact O-N 3.37Å; L863-H898 HydrophobicContact CD2-CB 3.98Å; L863-H898 VanDerWaalsContact CD2-O 3.25Å; L863-H898 WeakPolarHBondContact CD2-O 3.38Å; L863-L902 HydrophobicContact CD2-CB 3.89Å; L863-L902 HydrophobicContact CD2-CD2 4.39Å; L863-L976 HydrophobicContact CD1-CB 4.34Å; L863-L976 HydrophobicContact CD1-CD2 4.03Å; L863-L980 HydrophobicContact CD1-CD1 4.25Å; L863-L980 HydrophobicContact CD1-CG 4.47Å |
| 864 | T | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 179.5 | -63 | 0 | 0 | 0 | 0 | 112.4 | I840 L844 M847 L848 A860 V862 S868 L944 | I840-T864 HydrophobicContact CB-CG2 4.32Å; I840-T864 HydrophobicContact CD1-CG2 3.33Å; I840-T864 HydrophobicContact CG1-CG2 4.4Å; I840-T864 HydrophobicContact CG2-CG2 4.01Å; L844-T864 HydrophobicContact CB-CG2 4.09Å; M847-T864 WeakPolarHBondContact CE-OG1 3.2Å; L848-T864 HydrophobicContact CD2-CG2 4.39Å; A860-T864 WeakPolarHBondContact O-CB 2.99Å; A860-T864 PolarHBondContact O-N 3.32Å; A860-T864 PolarHBondContact O-OG1 2.85Å; V862-T864 PolarHBondContact O-N 2.86Å; T864-S868 VanDerWaalsContact O-CB 3.24Å; T864-S868 WeakPolarHBondContact O-CB 3.43Å; T864-S868 PolarHBondContact O-N 2.93Å; T864-L944 HydrophobicContact CG2-CD1 3.92Å |
| 865 | S | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 174.7 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | A861 V862 L863 L869 A940 A941 L944 | A861-S865 VanDerWaalsContact O-CB 3.23Å; A861-S865 WeakPolarHBondContact O-CB 3.4Å; A861-S865 PolarHBondContact O-N 3.02Å; A861-S865 PolarHBondContact O-OG 3.21Å; V862-S865 PolarHBondContact O-N 2.91Å; L863-S865 VanDerWaalsContact C-N 3.32Å; L863-S865 PolarHBondContact O-N 3.38Å; S865-L869 WeakPolarHBondContact O-CB 3.35Å; S865-L869 WeakPolarHBondContact O-CD1 3.5Å; S865-L869 WeakPolarHBondContact O-CG 3.39Å; S865-L869 PolarHBondContact O-N 2.68Å; S865-A940 WeakPolarHBondContact OG-CB 3.41Å; S865-A941 WeakPolarHBondContact OG-CA 3.4Å; S865-A941 PolarHBondContact OG-N 3.28Å; S865-L944 WeakPolarHBondContact OG-CD1 3.39Å |
| 866 | T | 89.5 | Confident | 88.2 | Confident | 27 Ų | 27 | 20.1 Ų | 20.1 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -51 | 178.7 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | V862 L863 G870 C871 I937 | V862-T866 WeakPolarHBondContact O-CB 3.32Å; V862-T866 PolarHBondContact O-N 2.68Å; V862-T866 PolarHBondContact O-OG1 2.77Å; L863-T866 WeakPolarHBondContact O-CB 3.29Å; L863-T866 PolarHBondContact O-N 3.29Å; L863-T866 VanDerWaalsContact O-N 3.15Å; T866-G870 PolarHBondContact O-N 3.05Å; T866-C871 PolarHBondContact O-N 3.37Å; T866-I937 HydrophobicContact CG2-CD1 4.14Å |
| 867 | A | 87.8 | Confident | 86.8 | Confident | 21 Ų | 21 | 21.2 Ų | 21.2 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -53.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L844 L863 L869 G870 D1028 | L844-A867 HydrophobicContact CD1-CB 3.84Å; L844-A867 HydrophobicContact CD2-CB 4.35Å; L863-A867 PolarHBondContact O-N 3.37Å; A867-L869 VanDerWaalsContact C-N 3.3Å; A867-L869 PolarHBondContact O-N 3Å; A867-G870 PolarHBondContact O-N 3.47Å; A867-G870 VanDerWaalsContact O-N 3.08Å; A867-D1028 WeakPolarHBondContact CB-OD1 3.36Å |
| 868 | S | 82.1 | Confident | 85 | Confident | 35 Ų | 35 | 26.8 Ų | 26.8 | 25% | 0.245 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -28.5 | -176.4 | -177.5 | 0 | 0 | 0 | 0 | 114 | R451 T864 | R451-S868 PolarHBondContact NH2-OG 3Å; T864-S868 VanDerWaalsContact O-CB 3.24Å; T864-S868 WeakPolarHBondContact O-CB 3.43Å; T864-S868 PolarHBondContact O-N 2.93Å |
| 869 | L | 76.3 | Confident | 83.2 | Confident | 42 Ų | 42 | 30.7 Ų | 30.7 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -84.9 | -14.5 | 175.9 | -68.3 | 169.1 | 0 | 0 | 0 | 113.3 | F452 S865 A867 C871 V936 I937 A940 | F452-L869 HydrophobicContact CD2-CD2 4.33Å; F452-L869 HydrophobicContact CE2-CD2 4.02Å; S865-L869 WeakPolarHBondContact O-CB 3.35Å; S865-L869 WeakPolarHBondContact O-CD1 3.5Å; S865-L869 WeakPolarHBondContact O-CG 3.39Å; S865-L869 PolarHBondContact O-N 2.68Å; A867-L869 VanDerWaalsContact C-N 3.3Å; A867-L869 PolarHBondContact O-N 3Å; L869-C871 HydrophobicContact CB-CB 4.01Å; L869-C871 PolarHBondContact O-N 3.45Å; L869-C871 VanDerWaalsContact O-N 3.11Å; L869-C871 PolarHBondContact O-SG 2.92Å; L869-C871 VanDerWaalsContact O-SG 3.41Å; L869-V936 HydrophobicContact CD1-CG1 3.93Å; L869-V936 HydrophobicContact CD2-CG1 4.49Å; L869-I937 HydrophobicContact CD1-CG1 4.29Å; L869-A940 HydrophobicContact CD1-CB 3.92Å |
| 870 | G | 74.7 | Confident | 81.5 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 19.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T866 A867 D872 | T866-G870 PolarHBondContact O-N 3.05Å; A867-G870 PolarHBondContact O-N 3.47Å; A867-G870 VanDerWaalsContact O-N 3.08Å; G870-D872 PolarHBondContact O-N 2.61Å |
| 871 | C | 74.1 | Confident | 80.4 | Confident | 19 Ų | 19 | 43 Ų | 43 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | trans | -88.5 | 106.3 | -173.1 | -75.9 | 0 | 0 | 0 | 0 | 109.8 | T866 L869 P873 A933 | T866-C871 PolarHBondContact O-N 3.37Å; L869-C871 HydrophobicContact CB-CB 4.01Å; L869-C871 PolarHBondContact O-N 3.45Å; L869-C871 VanDerWaalsContact O-N 3.11Å; L869-C871 PolarHBondContact O-SG 2.92Å; L869-C871 VanDerWaalsContact O-SG 3.41Å; C871-P873 WeakPolarHBondContact O-CD 3.48Å; C871-A933 HydrophobicContact CB-CB 3.98Å | ||
| 872 | D | 80.3 | Confident | 79.9 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | trans | -74.6 | 121.9 | -179.8 | -140.3 | -55.6 | 0 | 0 | 0 | 110 | G870 F874 N930 K1039 | G870-D872 PolarHBondContact O-N 2.61Å; D872-F874 PolarHBondContact O-N 2.9Å; D872-F874 PolarHBondContact OD1-N 3.43Å; D872-N930 PolarHBondContact O-ND2 3.43Å; D872-K1039 WeakPolarHBondContact OD2-CE 3.48Å; D872-K1039 IonicContact OD2-NZ 3.34Å; D872-K1039 PolarHBondContact OD2-NZ 3.28Å | ||
| 873 | P | 87.8 | Confident | 79.5 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -72.6 | -15.8 | 175.2 | 29.9 | -33.5 | 0 | 0 | 0 | 112 | C871 F929 N930 L934 | C871-P873 WeakPolarHBondContact O-CD 3.48Å; P873-F929 CarbonylContact O-C 3.6Å; P873-F929 VanDerWaalsContact O-CA 3.29Å; P873-F929 WeakPolarHBondContact O-CA 3.32Å; P873-N930 PolarHBondContact O-N 3.32Å; P873-L934 HydrophobicContact CB-CD2 3.79Å |
| 874 | F | 89.4 | Confident | 79.2 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 131.1 | 178 | -56.5 | -80.3 | 0 | 0 | 0 | 112 | D872 L883 Q887 A900 V904 F929 V1012 | D872-F874 PolarHBondContact O-N 2.9Å; D872-F874 PolarHBondContact OD1-N 3.43Å; F874-L883 HydrophobicContact CB-CD1 4.14Å; F874-L883 HydrophobicContact CB-CD2 3.68Å; F874-L883 HydrophobicContact CD1-CD1 4.13Å; F874-L883 HydrophobicContact CD2-CD1 4.25Å; F874-L883 HydrophobicContact CG-CD1 3.91Å; F874-L883 HydrophobicContact CG-CD2 4.34Å; F874-Q887 HydrophobicContact CD1-CB 4Å; F874-Q887 HydrophobicContact CD1-CG 4.31Å; F874-Q887 HydrophobicContact CE1-CB 4.31Å; F874-Q887 WeakPolarHBondContact CE1-O 3.44Å; F874-A900 HydrophobicContact CE2-CB 4.27Å; F874-A900 HydrophobicContact CZ-CB 3.78Å; F874-V904 HydrophobicContact CE1-CG2 3.86Å; F874-V904 HydrophobicContact CZ-CG2 4.02Å; F874-F929 AromaticContact CD1-CD1 3.89Å; F874-F929 HydrophobicContact CD1-CD1 3.89Å; F874-F929 AromaticContact CD1-CE1 3.71Å; F874-F929 HydrophobicContact CD1-CE1 3.71Å; F874-F929 HydrophobicContact CE1-CD1 4.23Å; F874-F929 AromaticContact CE1-CE1 3.7Å; F874-F929 HydrophobicContact CE1-CE1 3.7Å; F874-V1012 HydrophobicContact CE2-CG1 4.46Å; F874-V1012 HydrophobicContact CZ-CG1 4.39Å |
| 875 | L | 82.9 | Confident | 78.9 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 122.5 | 166.8 | -62.1 | 175.2 | 0 | 0 | 0 | 109.5 | P877 Q887 G928 F929 N930 | L875-P877 VanDerWaalsContact O-CD 3.25Å; L875-P877 WeakPolarHBondContact O-CD 3.41Å; L875-Q887 PolarHBondContact O-NE2 3.45Å; L875-G928 WeakPolarHBondContact CB-O 3.26Å; L875-G928 PolarHBondContact N-O 3.29Å; L875-F929 WeakPolarHBondContact CD1-O 3.25Å; L875-N930 HydrophobicContact CD2-CB 3.79Å; L875-N930 HydrophobicContact CG-CB 4.04Å |
| 876 | L | 77.4 | Confident | 78.9 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 116.3 | 165.1 | -93 | 149.6 | 0 | 0 | 0 | 108.9 | L883 | L876-L883 HydrophobicContact CG-CD2 4.29Š|
| 877 | P | 66.6 | Low | 79 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 138.7 | 179.9 | -22.6 | 35.8 | 0 | 0 | 0 | 110.5 | L875 D879 H880 T884 | L875-P877 VanDerWaalsContact O-CD 3.25Å; L875-P877 WeakPolarHBondContact O-CD 3.41Å; P877-D879 PolarHBondContact O-N 2.94Å; P877-H880 HydrophobicContact CB-CB 4.16Å; P877-H880 HydrophobicContact CG-CB 4.39Å; P877-H880 PolarHBondContact O-N 2.91Å; P877-H880 VanDerWaalsContact O-O 3.11Å; P877-T884 HydrophobicContact CG-CG2 4.11Å |
| 878 | P | 57.3 | Low | 79.1 | Confident | 116 Ų | 116 | 58 Ų | 58 | 75% | 0.753 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.4 | -169.7 | -29.3 | 35.6 | 0 | 0 | 0 | 115.4 | ||
| 879 | D | 58.9 | Low | 79.5 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.9 | -175.2 | -54.7 | -9.3 | 0 | 0 | 0 | 111.9 | S117 K648 P877 | S117-D879 VanDerWaalsContact CB-OD2 3.3Å; S117-D879 WeakPolarHBondContact CB-OD2 3.31Å; K648-D879 IonicContact NZ-OD1 2.72Å; K648-D879 PolarHBondContact NZ-OD1 3.07Å; P877-D879 PolarHBondContact O-N 2.94Å |
| 880 | H | 61 | Low | 80.3 | Confident | 116 Ų | 116 | 55.8 Ų | 55.8 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | trans | -111.3 | 133.1 | 178.3 | -69.2 | -32.2 | 0 | 0 | 0 | 112.2 | P877 R882 | P877-H880 HydrophobicContact CB-CB 4.16Å; P877-H880 HydrophobicContact CG-CB 4.39Å; P877-H880 PolarHBondContact O-N 2.91Å; P877-H880 VanDerWaalsContact O-O 3.11Å; H880-R882 PolarHBondContact O-N 2.93Å | ||
| 881 | R | 72.7 | Confident | 81.1 | Confident | 152 Ų | 152 | 54.3 Ų | 54.3 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -80.4 | 1 | -179.1 | -69.7 | -176.2 | 171.1 | 157.3 | 4.8 | 114.3 | S120 | S120-R881 VanDerWaalsContact O-CZ 3.28Å; S120-R881 PolarHBondContact O-NH1 3.33Å; S120-R881 VanDerWaalsContact O-NH1 3.14Å; S120-R881 PolarHBondContact O-NH2 3.44Å; S120-R881 PolarHBondContact OG-NH1 3Å |
| 882 | R | 84.6 | Confident | 81.8 | Confident | 79 Ų | 79 | 54.4 Ų | 54.4 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -159.2 | 165.6 | -167.6 | -55.9 | -179 | -177.2 | -151.9 | 6.2 | 109.6 | H880 K1009 C1014 M1015 | H880-R882 PolarHBondContact O-N 2.93Å; R882-K1009 WeakPolarHBondContact CA-O 3.4Å; R882-C1014 WeakPolarHBondContact CD-O 3.33Å; R882-C1014 PolarHBondContact NH1-O 2.67Å; R882-M1015 PolarHBondContact NH1-O 3.41Å |
| 883 | L | 87.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | trans | -62.4 | 153.4 | 170.1 | -60.3 | -171.9 | 0 | 0 | 0 | 112.6 | F874 L876 Q887 R888 S1010 V1012 | F874-L883 HydrophobicContact CB-CD1 4.14Å; F874-L883 HydrophobicContact CB-CD2 3.68Å; F874-L883 HydrophobicContact CD1-CD1 4.13Å; F874-L883 HydrophobicContact CD2-CD1 4.25Å; F874-L883 HydrophobicContact CG-CD1 3.91Å; F874-L883 HydrophobicContact CG-CD2 4.34Å; L876-L883 HydrophobicContact CG-CD2 4.29Å; L883-Q887 HydrophobicContact CB-CB 4.23Å; L883-Q887 HydrophobicContact CD1-CB 4.5Å; L883-R888 HydrophobicContact CB-CG 3.79Å; L883-R888 HydrophobicContact CD1-CG 4.35Å; L883-S1010 WeakPolarHBondContact CD1-O 3.24Å; L883-S1010 WeakPolarHBondContact CG-O 3.38Å; L883-V1012 HydrophobicContact CD1-CG1 3.92Å | ||
| 884 | T | 88.5 | Confident | 82.2 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | trans | -75.1 | 161.4 | 174.6 | 75.1 | 0 | 0 | 0 | 0 | 111.4 | P877 Q886 Q887 R888 | P877-T884 HydrophobicContact CG-CG2 4.11Å; T884-Q886 PolarHBondContact O-N 3.34Å; T884-Q886 PolarHBondContact OG1-N 2.93Å; T884-Q887 PolarHBondContact O-N 2.87Å; T884-Q887 WeakPolarHBondContact OG1-CG 3.41Å; T884-Q887 PolarHBondContact OG1-N 3.48Å; T884-Q887 VanDerWaalsContact OG1-N 3.16Å; T884-R888 WeakPolarHBondContact O-CD 3.29Å; T884-R888 WeakPolarHBondContact O-CG 3.49Å; T884-R888 PolarHBondContact O-N 2.89Å | ||
| 885 | N | 87.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 57 Ų | 57 | 60% | 0.599 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.4 | -30.7 | 176.1 | -72.8 | -12.9 | 0 | 0 | 0 | 112.7 | R888 S889 | N885-R888 PolarHBondContact O-N 3.24Å; N885-R888 PolarHBondContact OD1-NH1 3.32Å; N885-S889 PolarHBondContact O-N 3.23Å; N885-S889 VanDerWaalsContact O-N 3.09Å |
| 886 | Q | 89.4 | Confident | 83 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.1 | -178.2 | -178.7 | -2 | 0 | 0 | 112.5 | T884 R888 S889 F890 H927 | T884-Q886 PolarHBondContact O-N 3.34Å; T884-Q886 PolarHBondContact OG1-N 2.93Å; Q886-R888 PolarHBondContact O-N 2.94Å; Q886-S889 PolarHBondContact O-OG 3.5Å; Q886-S889 VanDerWaalsContact O-OG 3.06Å; Q886-F890 VanDerWaalsContact O-CD2 3.31Å; Q886-F890 WeakPolarHBondContact O-CD2 3.48Å; Q886-H927 PolarHBondContact NE2-CD2 3.04Å; Q886-H927 PolarHBondContact NE2-NE2 3.2Å; Q886-H927 VanDerWaalsContact NE2-NE2 3.19Å |
| 887 | Q | 91.8 | Very high | 83.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -32.5 | 172 | -72 | 171.1 | -44.4 | 0 | 0 | 111.4 | F874 L875 L883 T884 H927 G928 F929 | F874-Q887 HydrophobicContact CD1-CB 4Å; F874-Q887 HydrophobicContact CD1-CG 4.31Å; F874-Q887 HydrophobicContact CE1-CB 4.31Å; F874-Q887 WeakPolarHBondContact CE1-O 3.44Å; L875-Q887 PolarHBondContact O-NE2 3.45Å; L883-Q887 HydrophobicContact CB-CB 4.23Å; L883-Q887 HydrophobicContact CD1-CB 4.5Å; T884-Q887 PolarHBondContact O-N 2.87Å; T884-Q887 WeakPolarHBondContact OG1-CG 3.41Å; T884-Q887 PolarHBondContact OG1-N 3.48Å; T884-Q887 VanDerWaalsContact OG1-N 3.16Å; Q887-H927 VanDerWaalsContact CG-O 3.23Å; Q887-H927 WeakPolarHBondContact CG-O 3.38Å; Q887-G928 PolarHBondContact NE2-O 3.44Å; Q887-F929 HydrophobicContact CB-CE1 4.49Å; Q887-F929 HydrophobicContact CG-CE1 4.1Å |
| 888 | R | 90.6 | Very high | 85.2 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -85 | -21.7 | -172.3 | -66.4 | 172.7 | 64.4 | -100.6 | -25.8 | 114.4 | L883 T884 N885 Q886 F890 A891 V1012 M1015 | L883-R888 HydrophobicContact CB-CG 3.79Å; L883-R888 HydrophobicContact CD1-CG 4.35Å; T884-R888 WeakPolarHBondContact O-CD 3.29Å; T884-R888 WeakPolarHBondContact O-CG 3.49Å; T884-R888 PolarHBondContact O-N 2.89Å; N885-R888 PolarHBondContact O-N 3.24Å; N885-R888 PolarHBondContact OD1-NH1 3.32Å; Q886-R888 PolarHBondContact O-N 2.94Å; R888-F890 PolarHBondContact O-N 2.71Å; R888-A891 VanDerWaalsContact O-CB 3.29Å; R888-A891 WeakPolarHBondContact O-CB 3.48Å; R888-A891 PolarHBondContact O-N 3.43Å; R888-A891 VanDerWaalsContact O-N 3.15Å; R888-V1012 HydrophobicContact CG-CB 4.27Å; R888-V1012 HydrophobicContact CG-CG1 4.47Å; R888-V1012 VanDerWaalsContact CZ-O 3.25Å; R888-V1012 PolarHBondContact NE-O 2.86Å; R888-V1012 PolarHBondContact NH2-O 3.11Å; R888-M1015 PolarHBondContact NH1-SD 3.15Å; R888-M1015 VanDerWaalsContact NH1-SD 3.35Å; R888-M1015 PolarHBondContact NH2-SD 3.46Å |
| 889 | S | 91.2 | Very high | 87.1 | Confident | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.119 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -22.3 | 175 | 55.8 | 0 | 0 | 0 | 0 | 113 | N885 Q886 A891 A892 | N885-S889 PolarHBondContact O-N 3.23Å; N885-S889 VanDerWaalsContact O-N 3.09Å; Q886-S889 PolarHBondContact O-OG 3.5Å; Q886-S889 VanDerWaalsContact O-OG 3.06Å; S889-A891 PolarHBondContact O-N 3.38Å; S889-A891 VanDerWaalsContact O-N 3.1Å; S889-A892 PolarHBondContact O-N 2.81Å |
| 890 | F | 93.2 | Very high | 88.8 | Confident | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -16 | 171.2 | -74.1 | -99.9 | 0 | 0 | 0 | 113.5 | Q886 R888 A892 N903 V904 E907 F923 F929 | Q886-F890 VanDerWaalsContact O-CD2 3.31Å; Q886-F890 WeakPolarHBondContact O-CD2 3.48Å; R888-F890 PolarHBondContact O-N 2.71Å; F890-A892 PolarHBondContact O-N 2.89Å; F890-N903 HydrophobicContact CD1-CB 4.45Å; F890-N903 PolarHBondContact O-ND2 2.95Å; F890-V904 HydrophobicContact CB-CG2 3.92Å; F890-V904 HydrophobicContact CD1-CB 4.44Å; F890-V904 HydrophobicContact CD1-CG2 3.5Å; F890-V904 HydrophobicContact CD2-CG2 4.42Å; F890-V904 HydrophobicContact CE1-CG2 4.11Å; F890-V904 HydrophobicContact CG-CG2 3.68Å; F890-E907 HydrophobicContact CE1-CG 4.3Å; F890-F923 HydrophobicContact CE1-CZ 4.41Å; F890-F923 HydrophobicContact CZ-CZ 4.32Å; F890-F929 HydrophobicContact CD1-CZ 4.47Å; F890-F929 AromaticContact CD2-CZ 3.85Å; F890-F929 HydrophobicContact CD2-CZ 3.85Å; F890-F929 HydrophobicContact CE1-CE2 4.3Å; F890-F929 HydrophobicContact CE1-CZ 4.23Å; F890-F929 HydrophobicContact CE2-CE2 4.18Å; F890-F929 AromaticContact CE2-CZ 3.6Å; F890-F929 HydrophobicContact CE2-CZ 3.6Å; F890-F929 HydrophobicContact CG-CZ 4.29Å; F890-F929 AromaticContact CZ-CE2 3.92Å; F890-F929 HydrophobicContact CZ-CE2 3.92Å; F890-F929 AromaticContact CZ-CZ 3.8Å; F890-F929 HydrophobicContact CZ-CZ 3.8Å |
| 891 | A | 91.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114 | R888 S889 G893 Y894 A900 V1012 | R888-A891 VanDerWaalsContact O-CB 3.29Å; R888-A891 WeakPolarHBondContact O-CB 3.48Å; R888-A891 PolarHBondContact O-N 3.43Å; R888-A891 VanDerWaalsContact O-N 3.15Å; S889-A891 PolarHBondContact O-N 3.38Å; S889-A891 VanDerWaalsContact O-N 3.1Å; A891-G893 PolarHBondContact O-N 2.8Å; A891-Y894 WeakPolarHBondContact O-CB 3.11Å; A891-Y894 PolarHBondContact O-N 3.2Å; A891-A900 HydrophobicContact CB-CB 4.05Å; A891-V1012 HydrophobicContact CB-CB 4.31Å; A891-V1012 HydrophobicContact CB-CG2 3.88Å |
| 892 | A | 89 | Confident | 91.5 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 17% | 0.165 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 39.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S889 F890 Y894 F965 | S889-A892 PolarHBondContact O-N 2.81Å; F890-A892 PolarHBondContact O-N 2.89Å; A892-Y894 HydrophobicContact CB-CD2 4.29Å; A892-Y894 VanDerWaalsContact O-CD2 3.29Å; A892-Y894 WeakPolarHBondContact O-CD2 3.4Å; A892-Y894 PolarHBondContact O-N 2.96Å; A892-F965 HydrophobicContact CB-CB 4.24Å; A892-F965 HydrophobicContact CB-CD1 4.2Å |
| 893 | G | 86.1 | Confident | 92 | Very high | 58 Ų | 58 | 24.6 Ų | 24.6 | 60% | 0.598 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -23.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A891 S895 | A891-G893 PolarHBondContact O-N 2.8Å; G893-S895 PolarHBondContact O-N 3.08Å; G893-S895 PolarHBondContact O-OG 2.83Å |
| 894 | Y | 90.5 | Very high | 92.4 | Very high | 29 Ų | 29 | 24 Ų | 24 | 11% | 0.114 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -65.5 | -9.8 | -176.3 | -74.2 | -85.8 | 0 | 0 | 0 | 115.6 | A891 A892 S896 L899 N970 C973 | A891-Y894 WeakPolarHBondContact O-CB 3.11Å; A891-Y894 PolarHBondContact O-N 3.2Å; A892-Y894 HydrophobicContact CB-CD2 4.29Å; A892-Y894 VanDerWaalsContact O-CD2 3.29Å; A892-Y894 WeakPolarHBondContact O-CD2 3.4Å; A892-Y894 PolarHBondContact O-N 2.96Å; Y894-S896 VanDerWaalsContact C-N 3.32Å; Y894-S896 PolarHBondContact O-N 2.94Å; Y894-L899 HydrophobicContact CD1-CD1 3.86Å; Y894-L899 HydrophobicContact CD2-CD1 4.42Å; Y894-L899 HydrophobicContact CG-CD1 3.77Å; Y894-N970 PolarHBondContact OH-N 3.45Å; Y894-N970 PolarHBondContact OH-O 3.43Å; Y894-C973 HydrophobicContact CD1-CB 3.99Å; Y894-C973 HydrophobicContact CD2-CB 4.45Å; Y894-C973 HydrophobicContact CE1-CB 3.35Å; Y894-C973 HydrophobicContact CE2-CB 3.88Å; Y894-C973 HydrophobicContact CG-CB 4.5Å; Y894-C973 WeakPolarHBondContact OH-CB 3.48Å |
| 895 | S | 93.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 22.9 Ų | 22.9 | 18% | 0.175 | 14% | 0.135 | C | C | . | . | trans | 52.4 | 49.1 | 179.6 | -58 | 0 | 0 | 0 | 0 | 112.3 | G893 N1013 M1043 | G893-S895 PolarHBondContact O-N 3.08Å; G893-S895 PolarHBondContact O-OG 2.83Å; S895-N1013 VanDerWaalsContact CA-OD1 3.29Å; S895-N1013 WeakPolarHBondContact CA-OD1 3.5Å; S895-N1013 WeakPolarHBondContact CB-OD1 3.46Å; S895-N1013 PolarHBondContact O-ND2 3.19Å; S895-N1013 PolarHBondContact O-OD1 2.95Å; S895-M1043 PolarHBondContact O-N 3.49Å; S895-M1043 VanDerWaalsContact O-N 3.15Å | ||
| 896 | S | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -139.1 | 115.6 | -166.2 | 177.7 | 0 | 0 | 0 | 0 | 112 | Y894 H898 L899 A900 L1041 T1042 | Y894-S896 VanDerWaalsContact C-N 3.32Å; Y894-S896 PolarHBondContact O-N 2.94Å; S896-H898 VanDerWaalsContact C-N 3.32Å; S896-L899 WeakPolarHBondContact OG-CG 3.26Å; S896-L899 PolarHBondContact OG-N 3.28Å; S896-A900 VanDerWaalsContact O-CB 3.26Å; S896-A900 WeakPolarHBondContact O-CB 3.4Å; S896-A900 PolarHBondContact O-N 3.25Å; S896-L1041 WeakPolarHBondContact CA-O 3.41Å; S896-T1042 WeakPolarHBondContact OG-CB 3.31Å; S896-T1042 WeakPolarHBondContact OG-CG2 3.4Å; S896-T1042 PolarHBondContact OG-OG1 3.14Å |
| 897 | D | 94.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 17.9 Ų | 17.9 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.8 | -77.5 | -30.6 | 0 | 0 | 0 | 110.9 | A900 G901 S1011 V1012 G1040 L1041 | D897-A900 PolarHBondContact O-N 3.27Å; D897-G901 PolarHBondContact O-N 3.01Å; D897-S1011 VanDerWaalsContact CG-OG 3.22Å; D897-S1011 WeakPolarHBondContact OD1-CA 3.4Å; D897-S1011 PolarHBondContact OD1-OG 2.9Å; D897-S1011 VanDerWaalsContact OD1-OG 3.07Å; D897-S1011 WeakPolarHBondContact OD2-CB 3.48Å; D897-S1011 PolarHBondContact OD2-OG 3.49Å; D897-V1012 WeakPolarHBondContact OD1-CG2 3.24Å; D897-V1012 PolarHBondContact OD1-N 2.94Å; D897-G1040 WeakPolarHBondContact OD2-CA 3.49Å; D897-G1040 PolarHBondContact OD2-N 3.03Å; D897-L1041 PolarHBondContact N-O 2.81Å; D897-L1041 PolarHBondContact OD2-N 3.02Å |
| 898 | H | 95.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 5% | 0.051 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -51.4 | 179 | -67 | 105.8 | 0 | 0 | 0 | 112.6 | L863 S896 G901 L902 L980 D1028 G1040 T1042 | L863-H898 HydrophobicContact CD2-CB 3.98Å; L863-H898 VanDerWaalsContact CD2-O 3.25Å; L863-H898 WeakPolarHBondContact CD2-O 3.38Å; S896-H898 VanDerWaalsContact C-N 3.32Å; H898-G901 PolarHBondContact O-N 3.32Å; H898-L902 PolarHBondContact O-N 3.39Å; H898-L980 HydrophobicContact CB-CD1 3.61Å; H898-L980 HydrophobicContact CB-CD2 4.48Å; H898-D1028 IonicContact NE2-OD1 3.42Å; H898-D1028 PolarHBondContact NE2-OD1 3.37Å; H898-D1028 IonicContact NE2-OD2 3.62Å; H898-G1040 PolarHBondContact CE1-O 3.18Å; H898-T1042 PolarHBondContact ND1-OG1 2.81Å |
| 899 | L | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -34.4 | -179.8 | -67.1 | 176.1 | 0 | 0 | 0 | 111.7 | Y894 S896 G901 L902 N903 F965 C973 L976 | Y894-L899 HydrophobicContact CD1-CD1 3.86Å; Y894-L899 HydrophobicContact CD2-CD1 4.42Å; Y894-L899 HydrophobicContact CG-CD1 3.77Å; S896-L899 WeakPolarHBondContact OG-CG 3.26Å; S896-L899 PolarHBondContact OG-N 3.28Å; L899-G901 VanDerWaalsContact C-N 3.34Å; L899-G901 PolarHBondContact O-N 3.47Å; L899-L902 HydrophobicContact CD2-CD2 4.44Å; L899-L902 PolarHBondContact O-N 3.18Å; L899-N903 WeakPolarHBondContact O-CB 3.45Å; L899-N903 PolarHBondContact O-N 3.28Å; L899-F965 HydrophobicContact CB-CE1 4.03Å; L899-F965 HydrophobicContact CB-CZ 4.45Å; L899-F965 HydrophobicContact CD2-CE1 4.27Å; L899-F965 HydrophobicContact CD2-CZ 4.34Å; L899-C973 HydrophobicContact CD1-CB 3.88Å; L899-C973 HydrophobicContact CD2-CB 4.37Å; L899-L976 HydrophobicContact CD2-CB 4.2Å; L899-L976 HydrophobicContact CD2-CD1 4.18Å |
| 900 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F874 A891 S896 D897 N903 V904 V1012 | F874-A900 HydrophobicContact CE2-CB 4.27Å; F874-A900 HydrophobicContact CZ-CB 3.78Å; A891-A900 HydrophobicContact CB-CB 4.05Å; S896-A900 VanDerWaalsContact O-CB 3.26Å; S896-A900 WeakPolarHBondContact O-CB 3.4Å; S896-A900 PolarHBondContact O-N 3.25Å; D897-A900 PolarHBondContact O-N 3.27Å; A900-N903 PolarHBondContact O-N 2.71Å; A900-V904 WeakPolarHBondContact O-CG2 3.21Å; A900-V904 PolarHBondContact O-N 2.81Å; A900-V1012 HydrophobicContact CB-CG1 3.93Å |
| 901 | G | 94.5 | Very high | 93.8 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D897 H898 L899 V904 F905 | D897-G901 PolarHBondContact O-N 3.01Å; H898-G901 PolarHBondContact O-N 3.32Å; L899-G901 VanDerWaalsContact C-N 3.34Å; L899-G901 PolarHBondContact O-N 3.47Å; G901-V904 PolarHBondContact O-N 2.94Å; G901-F905 WeakPolarHBondContact O-CB 3.32Å; G901-F905 PolarHBondContact O-N 3.27Å |
| 902 | L | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.6 | 180 | 60 | 0 | 0 | 0 | 112.4 | A859 V862 L863 H898 L899 F905 Q906 V963 F965 L976 | A859-L902 HydrophobicContact CB-CD1 4.4Å; A859-L902 HydrophobicContact CB-CD2 3.96Å; V862-L902 HydrophobicContact CB-CD1 3.97Å; V862-L902 HydrophobicContact CG1-CD1 3.84Å; V862-L902 HydrophobicContact CG2-CD1 4.47Å; L863-L902 HydrophobicContact CD2-CB 3.89Å; L863-L902 HydrophobicContact CD2-CD2 4.39Å; H898-L902 PolarHBondContact O-N 3.39Å; L899-L902 HydrophobicContact CD2-CD2 4.44Å; L899-L902 PolarHBondContact O-N 3.18Å; L902-F905 WeakPolarHBondContact O-CB 3.33Å; L902-F905 PolarHBondContact O-N 3.42Å; L902-Q906 HydrophobicContact CD1-CG 4.38Å; L902-Q906 WeakPolarHBondContact O-CG 3.07Å; L902-Q906 PolarHBondContact O-N 3.11Å; L902-V963 HydrophobicContact CD2-CG2 4.36Å; L902-F965 HydrophobicContact CB-CZ 4.28Å; L902-F965 HydrophobicContact CD2-CZ 4.08Å; L902-F965 HydrophobicContact CG-CE2 4.19Å; L902-F965 HydrophobicContact CG-CZ 4.11Å; L902-L976 HydrophobicContact CD2-CD1 3.8Å |
| 903 | N | 96 | Very high | 94.1 | Very high | 17 Ų | 17 | 27 Ų | 27 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 176.2 | -169.3 | 5.2 | 0 | 0 | 0 | 111.2 | F890 L899 A900 F905 Q906 E907 F965 | F890-N903 HydrophobicContact CD1-CB 4.45Å; F890-N903 PolarHBondContact O-ND2 2.95Å; L899-N903 WeakPolarHBondContact O-CB 3.45Å; L899-N903 PolarHBondContact O-N 3.28Å; A900-N903 PolarHBondContact O-N 2.71Å; N903-F905 VanDerWaalsContact C-N 3.29Å; N903-F905 PolarHBondContact O-N 3.04Å; N903-Q906 PolarHBondContact O-N 3.05Å; N903-E907 PolarHBondContact O-N 3.5Å; N903-F965 HydrophobicContact CB-CD1 4.34Å; N903-F965 HydrophobicContact CB-CD2 3.57Å; N903-F965 HydrophobicContact CB-CE1 4.41Å; N903-F965 HydrophobicContact CB-CE2 3.66Å; N903-F965 HydrophobicContact CB-CG 3.94Å; N903-F965 HydrophobicContact CB-CZ 4.08Å; N903-F965 VanDerWaalsContact CG-CD2 3.48Å |
| 904 | V | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 173.3 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | F874 F890 A900 G901 W908 F929 L934 | F874-V904 HydrophobicContact CE1-CG2 3.86Å; F874-V904 HydrophobicContact CZ-CG2 4.02Å; F890-V904 HydrophobicContact CB-CG2 3.92Å; F890-V904 HydrophobicContact CD1-CB 4.44Å; F890-V904 HydrophobicContact CD1-CG2 3.5Å; F890-V904 HydrophobicContact CD2-CG2 4.42Å; F890-V904 HydrophobicContact CE1-CG2 4.11Å; F890-V904 HydrophobicContact CG-CG2 3.68Å; A900-V904 WeakPolarHBondContact O-CG2 3.21Å; A900-V904 PolarHBondContact O-N 2.81Å; G901-V904 PolarHBondContact O-N 2.94Å; V904-W908 VanDerWaalsContact O-CB 3.22Å; V904-W908 WeakPolarHBondContact O-CB 3.28Å; V904-W908 PolarHBondContact O-N 2.92Å; V904-F929 HydrophobicContact CB-CZ 4.48Å; V904-F929 HydrophobicContact CG1-CB 4.29Å; V904-F929 HydrophobicContact CG1-CD1 3.99Å; V904-F929 HydrophobicContact CG1-CD2 3.64Å; V904-F929 HydrophobicContact CG1-CE1 4.21Å; V904-F929 HydrophobicContact CG1-CE2 3.85Å; V904-F929 HydrophobicContact CG1-CG 3.72Å; V904-F929 HydrophobicContact CG1-CZ 4.14Å; V904-F929 HydrophobicContact CG2-CD1 4.25Å; V904-F929 HydrophobicContact CG2-CE1 3.68Å; V904-F929 HydrophobicContact CG2-CE2 3.94Å; V904-F929 HydrophobicContact CG2-CZ 3.5Å; V904-L934 HydrophobicContact CG1-CD1 4.08Å; V904-L934 HydrophobicContact CG1-CD2 4.28Å |
| 905 | F | 95.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.1 | -178.1 | -88.4 | 0 | 0 | 0 | 112.7 | V862 G901 L902 N903 W908 T909 L934 I937 D938 | V862-F905 HydrophobicContact CB-CD1 4.5Å; V862-F905 HydrophobicContact CG1-CB 4.06Å; V862-F905 HydrophobicContact CG1-CD1 3.8Å; V862-F905 HydrophobicContact CG1-CD2 4.07Å; V862-F905 HydrophobicContact CG1-CE1 4.28Å; V862-F905 HydrophobicContact CG1-CG 3.69Å; V862-F905 HydrophobicContact CG2-CD1 3.87Å; V862-F905 HydrophobicContact CG2-CE1 3.6Å; V862-F905 HydrophobicContact CG2-CZ 4.04Å; G901-F905 WeakPolarHBondContact O-CB 3.32Å; G901-F905 PolarHBondContact O-N 3.27Å; L902-F905 WeakPolarHBondContact O-CB 3.33Å; L902-F905 PolarHBondContact O-N 3.42Å; N903-F905 VanDerWaalsContact C-N 3.29Å; N903-F905 PolarHBondContact O-N 3.04Å; F905-W908 HydrophobicContact CD2-CE3 4.31Å; F905-W908 HydrophobicContact CD2-CZ3 4.43Å; F905-W908 HydrophobicContact CE2-CE3 4.31Å; F905-W908 AromaticContact CE2-CZ3 4Å; F905-W908 HydrophobicContact CE2-CZ3 4Å; F905-W908 HydrophobicContact CZ-CZ3 4.47Å; F905-T909 VanDerWaalsContact O-CB 3.29Å; F905-T909 WeakPolarHBondContact O-CB 3.43Å; F905-T909 PolarHBondContact O-N 2.85Å; F905-T909 PolarHBondContact O-OG1 3.41Å; F905-L934 HydrophobicContact CB-CD2 4.24Å; F905-L934 HydrophobicContact CD2-CD2 4.11Å; F905-I937 HydrophobicContact CD2-CB 4.49Å; F905-I937 HydrophobicContact CD2-CG2 3.92Å; F905-I937 HydrophobicContact CE2-CB 4.34Å; F905-I937 HydrophobicContact CE2-CG2 3.88Å; F905-D938 HydrophobicContact CE2-CB 3.88Å; F905-D938 HydrophobicContact CZ-CB 3.99Å |
| 906 | Q | 95.2 | Very high | 94.3 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.8 | -41.6 | 179.7 | -73.8 | 176.6 | 3.1 | 0 | 0 | 112.3 | L902 N903 T910 V963 | L902-Q906 HydrophobicContact CD1-CG 4.38Å; L902-Q906 WeakPolarHBondContact O-CG 3.07Å; L902-Q906 PolarHBondContact O-N 3.11Å; N903-Q906 PolarHBondContact O-N 3.05Å; Q906-T910 VanDerWaalsContact O-CB 3.26Å; Q906-T910 WeakPolarHBondContact O-CB 3.47Å; Q906-T910 PolarHBondContact O-N 2.89Å; Q906-T910 PolarHBondContact O-OG1 2.81Å; Q906-V963 PolarHBondContact OE1-O 3.11Å |
| 907 | E | 94.4 | Very high | 93.9 | Very high | 76 Ų | 76 | 40 Ų | 40 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 174 | -72.5 | -64 | 143.9 | 0 | 0 | 111.9 | F890 N903 T909 T910 E911 F923 | F890-E907 HydrophobicContact CE1-CG 4.3Å; N903-E907 PolarHBondContact O-N 3.5Å; E907-T909 PolarHBondContact O-N 2.94Å; E907-T910 WeakPolarHBondContact O-CB 3.33Å; E907-T910 PolarHBondContact O-N 3.46Å; E907-E911 PolarHBondContact O-N 3.02Å; E907-F923 HydrophobicContact CB-CE1 4.45Å; E907-F923 HydrophobicContact CB-CZ 3.97Å |
| 908 | W | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.3 | 170 | 81.9 | 0 | 0 | 0 | 112.3 | V904 F905 T910 E911 R912 F923 L934 R935 D938 | V904-W908 VanDerWaalsContact O-CB 3.22Å; V904-W908 WeakPolarHBondContact O-CB 3.28Å; V904-W908 PolarHBondContact O-N 2.92Å; F905-W908 HydrophobicContact CD2-CE3 4.31Å; F905-W908 HydrophobicContact CD2-CZ3 4.43Å; F905-W908 HydrophobicContact CE2-CE3 4.31Å; F905-W908 AromaticContact CE2-CZ3 4Å; F905-W908 HydrophobicContact CE2-CZ3 4Å; F905-W908 HydrophobicContact CZ-CZ3 4.47Å; W908-T910 VanDerWaalsContact C-N 3.29Å; W908-T910 PolarHBondContact O-N 3.22Å; W908-E911 PolarHBondContact O-N 2.94Å; W908-R912 VanDerWaalsContact O-CB 3.25Å; W908-R912 WeakPolarHBondContact O-CB 3.48Å; W908-R912 PolarHBondContact O-N 2.79Å; W908-F923 HydrophobicContact CB-CD1 4.36Å; W908-F923 HydrophobicContact CB-CE1 4.16Å; W908-L934 HydrophobicContact CB-CD1 3.81Å; W908-L934 HydrophobicContact CD2-CB 3.76Å; W908-L934 HydrophobicContact CD2-CD1 3.96Å; W908-L934 HydrophobicContact CD2-CG 4.45Å; W908-L934 HydrophobicContact CE3-CB 3.87Å; W908-L934 HydrophobicContact CG-CB 4.31Å; W908-L934 HydrophobicContact CG-CD1 3.56Å; W908-L934 HydrophobicContact CH2-CB 4.3Å; W908-L934 HydrophobicContact CZ2-CB 4.2Å; W908-L934 HydrophobicContact CZ3-CB 4.13Å; W908-R935 HydrophobicContact CH2-CG 3.88Å; W908-R935 HydrophobicContact CZ2-CG 3.53Å; W908-D938 HydrophobicContact CH2-CB 4.28Å; W908-D938 HydrophobicContact CZ3-CB 4.15Å |
| 909 | T | 94.4 | Very high | 93.3 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | F905 E907 A913 | F905-T909 VanDerWaalsContact O-CB 3.29Å; F905-T909 WeakPolarHBondContact O-CB 3.43Å; F905-T909 PolarHBondContact O-N 2.85Å; F905-T909 PolarHBondContact O-OG1 3.41Å; E907-T909 PolarHBondContact O-N 2.94Å; T909-A913 VanDerWaalsContact O-CB 3.29Å; T909-A913 WeakPolarHBondContact O-CB 3.44Å; T909-A913 PolarHBondContact O-N 2.99Å |
| 910 | T | 93.9 | Very high | 93.1 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -44.4 | 178 | -63.6 | 0 | 0 | 0 | 0 | 112 | Q906 E907 W908 A913 R914 | Q906-T910 VanDerWaalsContact O-CB 3.26Å; Q906-T910 WeakPolarHBondContact O-CB 3.47Å; Q906-T910 PolarHBondContact O-N 2.89Å; Q906-T910 PolarHBondContact O-OG1 2.81Å; E907-T910 WeakPolarHBondContact O-CB 3.33Å; E907-T910 PolarHBondContact O-N 3.46Å; W908-T910 VanDerWaalsContact C-N 3.29Å; W908-T910 PolarHBondContact O-N 3.22Å; T910-A913 PolarHBondContact O-N 2.93Å; T910-R914 WeakPolarHBondContact O-CB 3.42Å; T910-R914 WeakPolarHBondContact O-CG 3.47Å; T910-R914 PolarHBondContact O-N 3.24Å |
| 911 | E | 93.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 176.1 | -177 | 62.7 | -173.7 | 0 | 0 | 111.4 | E907 W908 A913 R914 R915 S919 F923 | E907-E911 PolarHBondContact O-N 3.02Å; W908-E911 PolarHBondContact O-N 2.94Å; E911-A913 PolarHBondContact O-N 3.31Å; E911-R914 PolarHBondContact O-N 3.49Å; E911-R915 PolarHBondContact O-N 3.49Å; E911-R915 WeakPolarHBondContact OE1-CD 3.22Å; E911-R915 IonicContact OE1-CZ 2.68Å; E911-R915 IonicContact OE1-NE 3.81Å; E911-R915 IonicContact OE1-NH1 3.34Å; E911-R915 PolarHBondContact OE1-NH1 2.94Å; E911-R915 IonicContact OE2-NH1 3.2Å; E911-R915 PolarHBondContact OE2-NH1 2.86Å; E911-S919 WeakPolarHBondContact OE1-CB 3.41Å; E911-S919 PolarHBondContact OE1-OG 2.84Å; E911-F923 HydrophobicContact CG-CB 4.34Å |
| 912 | R | 93 | Very high | 92.4 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.9 | -169.9 | 179.5 | -178.6 | -145.9 | -0.6 | 112.2 | W908 G916 D917 A920 D938 | W908-R912 VanDerWaalsContact O-CB 3.25Å; W908-R912 WeakPolarHBondContact O-CB 3.48Å; W908-R912 PolarHBondContact O-N 2.79Å; R912-G916 WeakPolarHBondContact O-CA 3.39Å; R912-G916 PolarHBondContact O-N 2.58Å; R912-D917 IonicContact CZ-OD1 2.77Å; R912-D917 IonicContact NE-OD1 2.68Å; R912-D917 PolarHBondContact NE-OD1 3.07Å; R912-D917 IonicContact NE-OD2 3.96Å; R912-D917 IonicContact NH2-OD1 2.68Å; R912-D917 PolarHBondContact NH2-OD1 3.17Å; R912-D917 IonicContact NH2-OD2 3.21Å; R912-A920 HydrophobicContact CB-CB 3.69Å; R912-A920 HydrophobicContact CG-CB 4.2Å; R912-D938 IonicContact CZ-OD2 3.66Å; R912-D938 IonicContact NH1-OD2 3.86Å; R912-D938 PolarHBondContact NH1-OD2 3.14Å |
| 913 | A | 91.8 | Very high | 92.2 | Very high | 83 Ų | 83 | 56 Ų | 56 | 69% | 0.686 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.9 | -31.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T909 T910 E911 | T909-A913 VanDerWaalsContact O-CB 3.29Å; T909-A913 WeakPolarHBondContact O-CB 3.44Å; T909-A913 PolarHBondContact O-N 2.99Å; T910-A913 PolarHBondContact O-N 2.93Å; E911-A913 PolarHBondContact O-N 3.31Å |
| 914 | R | 92.3 | Very high | 92 | Very high | 121 Ų | 121 | 55.2 Ų | 55.2 | 46% | 0.457 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -82.1 | -33.6 | -179.7 | -75.4 | 171.1 | 176.2 | 172 | -2.1 | 114 | T910 E911 F1152 | T910-R914 WeakPolarHBondContact O-CB 3.42Å; T910-R914 WeakPolarHBondContact O-CG 3.47Å; T910-R914 PolarHBondContact O-N 3.24Å; E911-R914 PolarHBondContact O-N 3.49Å; R914-F1152 PolarHBondContact NH2-O 2.88Å |
| 915 | R | 91.1 | Very high | 91.5 | Very high | 166 Ų | 166 | 61.3 Ų | 61.3 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -137.7 | 1.5 | -169.9 | -64.3 | -164.1 | -173.7 | 122.8 | -6.6 | 115.7 | E911 S919 | E911-R915 PolarHBondContact O-N 3.49Å; E911-R915 WeakPolarHBondContact OE1-CD 3.22Å; E911-R915 IonicContact OE1-CZ 2.68Å; E911-R915 IonicContact OE1-NE 3.81Å; E911-R915 IonicContact OE1-NH1 3.34Å; E911-R915 PolarHBondContact OE1-NH1 2.94Å; E911-R915 IonicContact OE2-NH1 3.2Å; E911-R915 PolarHBondContact OE2-NH1 2.86Å; R915-S919 VanDerWaalsContact CB-CB 3.44Å; R915-S919 WeakPolarHBondContact CD-OG 3.46Å |
| 916 | G | 91 | Very high | 91.1 | Very high | 31 Ų | 31 | 67 Ų | 67 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | trans | 84.4 | 175 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R912 E918 S919 A920 | R912-G916 WeakPolarHBondContact O-CA 3.39Å; R912-G916 PolarHBondContact O-N 2.58Å; G916-E918 PolarHBondContact O-N 2.95Å; G916-S919 PolarHBondContact O-N 2.72Å; G916-A920 PolarHBondContact O-N 3.07Å | ||
| 917 | D | 86.4 | Confident | 90.8 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | -172.2 | -84 | -80.6 | 0 | 0 | 0 | 114.1 | R912 S919 A920 D921 R935 | R912-D917 IonicContact CZ-OD1 2.77Å; R912-D917 IonicContact NE-OD1 2.68Å; R912-D917 PolarHBondContact NE-OD1 3.07Å; R912-D917 IonicContact NE-OD2 3.96Å; R912-D917 IonicContact NH2-OD1 2.68Å; R912-D917 PolarHBondContact NH2-OD1 3.17Å; R912-D917 IonicContact NH2-OD2 3.21Å; D917-S919 VanDerWaalsContact C-N 3.34Å; D917-S919 PolarHBondContact O-N 3.19Å; D917-A920 WeakPolarHBondContact O-CB 3.4Å; D917-A920 PolarHBondContact O-N 2.65Å; D917-A920 VanDerWaalsContact O-N 3.16Å; D917-D921 PolarHBondContact O-N 2.9Å; D917-R935 IonicContact OD1-CZ 3Å; D917-R935 IonicContact OD1-NE 3.94Å; D917-R935 PolarHBondContact OD1-NE 2.79Å; D917-R935 IonicContact OD1-NH2 3.29Å; D917-R935 PolarHBondContact OD1-NH2 2.77Å |
| 918 | E | 87.9 | Confident | 90.5 | Very high | 166 Ų | 166 | 64.6 Ų | 64.6 | 78% | 0.776 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61 | -39.7 | -179.5 | -63.1 | -174.5 | 167 | 0 | 0 | 112.8 | G916 A920 D921 L922 | G916-E918 PolarHBondContact O-N 2.95Å; E918-A920 VanDerWaalsContact C-N 3.34Å; E918-D921 PolarHBondContact O-N 2.85Å; E918-L922 WeakPolarHBondContact O-CG 3.31Å; E918-L922 PolarHBondContact O-N 3.11Å |
| 919 | S | 91.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.7 | -32.6 | 178.4 | -150 | 0 | 0 | 0 | 0 | 111.7 | E911 R915 G916 D917 F923 | E911-S919 WeakPolarHBondContact OE1-CB 3.41Å; E911-S919 PolarHBondContact OE1-OG 2.84Å; R915-S919 VanDerWaalsContact CB-CB 3.44Å; R915-S919 WeakPolarHBondContact CD-OG 3.46Å; G916-S919 PolarHBondContact O-N 2.72Å; D917-S919 VanDerWaalsContact C-N 3.34Å; D917-S919 PolarHBondContact O-N 3.19Å; S919-F923 WeakPolarHBondContact O-CB 3.3Å; S919-F923 PolarHBondContact O-N 2.95Å |
| 920 | A | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R912 G916 D917 E918 C924 | R912-A920 HydrophobicContact CB-CB 3.69Å; R912-A920 HydrophobicContact CG-CB 4.2Å; G916-A920 PolarHBondContact O-N 3.07Å; D917-A920 WeakPolarHBondContact O-CB 3.4Å; D917-A920 PolarHBondContact O-N 2.65Å; D917-A920 VanDerWaalsContact O-N 3.16Å; E918-A920 VanDerWaalsContact C-N 3.34Å; A920-C924 PolarHBondContact O-N 2.73Å; A920-C924 VanDerWaalsContact O-N 3.14Å; A920-C924 PolarHBondContact O-SG 3.21Å |
| 921 | D | 85.7 | Confident | 89.4 | Confident | 51 Ų | 51 | 62 Ų | 62 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 170.1 | -76.6 | -41.7 | 0 | 0 | 0 | 111.5 | D917 E918 F923 C924 D925 S931 R935 | D917-D921 PolarHBondContact O-N 2.9Å; E918-D921 PolarHBondContact O-N 2.85Å; D921-F923 VanDerWaalsContact C-N 3.31Å; D921-F923 PolarHBondContact O-N 3.46Å; D921-C924 WeakPolarHBondContact O-CB 3.06Å; D921-C924 PolarHBondContact O-N 3.06Å; D921-D925 PolarHBondContact O-N 3.22Å; D921-S931 WeakPolarHBondContact OD1-CB 3.48Å; D921-S931 PolarHBondContact OD1-OG 3.38Å; D921-R935 VanDerWaalsContact CG-NH1 3.3Å; D921-R935 IonicContact OD1-CZ 3.21Å; D921-R935 IonicContact OD1-NH1 2.73Å; D921-R935 PolarHBondContact OD1-NH1 2.9Å; D921-R935 IonicContact OD1-NH2 2.77Å; D921-R935 IonicContact OD2-CZ 3.17Å; D921-R935 IonicContact OD2-NH1 2.86Å; D921-R935 PolarHBondContact OD2-NH1 3.45Å; D921-R935 IonicContact OD2-NH2 2.96Å; D921-R935 PolarHBondContact OD2-NH2 3.48Å |
| 922 | L | 89.8 | Confident | 88.6 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 174.3 | -74.7 | 169.3 | 0 | 0 | 0 | 112.7 | E918 C924 D925 Q926 | E918-L922 WeakPolarHBondContact O-CG 3.31Å; E918-L922 PolarHBondContact O-N 3.11Å; L922-C924 VanDerWaalsContact C-N 3.34Å; L922-D925 PolarHBondContact O-N 2.85Å; L922-Q926 WeakPolarHBondContact O-CB 3.23Å; L922-Q926 WeakPolarHBondContact O-CG 3.38Å; L922-Q926 PolarHBondContact O-N 3.32Å |
| 923 | F | 91.9 | Very high | 88.1 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 172 | 168.3 | -102.4 | 0 | 0 | 0 | 111.7 | F890 E907 W908 E911 S919 D921 H927 F929 | F890-F923 HydrophobicContact CE1-CZ 4.41Å; F890-F923 HydrophobicContact CZ-CZ 4.32Å; E907-F923 HydrophobicContact CB-CE1 4.45Å; E907-F923 HydrophobicContact CB-CZ 3.97Å; W908-F923 HydrophobicContact CB-CD1 4.36Å; W908-F923 HydrophobicContact CB-CE1 4.16Å; E911-F923 HydrophobicContact CG-CB 4.34Å; S919-F923 WeakPolarHBondContact O-CB 3.3Å; S919-F923 PolarHBondContact O-N 2.95Å; D921-F923 VanDerWaalsContact C-N 3.31Å; D921-F923 PolarHBondContact O-N 3.46Å; F923-H927 AromaticContact CD2-CE1 3.71Å; F923-H927 AromaticContact CD2-ND1 3.65Å; F923-H927 AromaticContact CE2-CE1 3.67Å; F923-H927 AromaticContact CE2-ND1 3.74Å; F923-H927 PolarHBondContact O-N 2.87Å; F923-H927 PolarHBondContact O-ND1 3.17Å; F923-F929 HydrophobicContact CD1-CD2 4.37Å; F923-F929 AromaticContact CE1-CD2 3.78Å; F923-F929 HydrophobicContact CE1-CD2 3.78Å; F923-F929 AromaticContact CE1-CE2 3.86Å; F923-F929 HydrophobicContact CE1-CE2 3.86Å; F923-F929 HydrophobicContact CZ-CD2 4.18Å; F923-F929 AromaticContact CZ-CE2 3.77Å; F923-F929 HydrophobicContact CZ-CE2 3.77Å |
| 924 | C | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | A920 D921 L922 Q926 H927 G928 F929 | A920-C924 PolarHBondContact O-N 2.73Å; A920-C924 VanDerWaalsContact O-N 3.14Å; A920-C924 PolarHBondContact O-SG 3.21Å; D921-C924 WeakPolarHBondContact O-CB 3.06Å; D921-C924 PolarHBondContact O-N 3.06Å; L922-C924 VanDerWaalsContact C-N 3.34Å; C924-Q926 VanDerWaalsContact C-N 3.33Å; C924-Q926 PolarHBondContact O-N 2.82Å; C924-H927 PolarHBondContact O-N 2.8Å; C924-G928 WeakPolarHBondContact O-CA 3.45Å; C924-G928 PolarHBondContact O-N 3.41Å; C924-F929 HydrophobicContact CB-CB 4.04Å; C924-F929 PolarHBondContact O-N 3.15Å |
| 925 | D | 85.6 | Confident | 87.8 | Confident | 128 Ų | 128 | 51.5 Ų | 51.5 | 68% | 0.684 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 178.9 | -84.3 | -11.5 | 0 | 0 | 0 | 111.9 | D921 L922 H927 | D921-D925 PolarHBondContact O-N 3.22Å; L922-D925 PolarHBondContact O-N 2.85Å; D925-H927 VanDerWaalsContact C-N 3.3Å; D925-H927 PolarHBondContact O-N 3.15Å |
| 926 | Q | 88 | Confident | 87.2 | Confident | 136 Ų | 136 | 44.9 Ų | 44.9 | 64% | 0.636 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.6 | -29.2 | 178.5 | -73.8 | 171.4 | 31.3 | 0 | 0 | 113.8 | L922 C924 | L922-Q926 WeakPolarHBondContact O-CB 3.23Å; L922-Q926 WeakPolarHBondContact O-CG 3.38Å; L922-Q926 PolarHBondContact O-N 3.32Å; C924-Q926 VanDerWaalsContact C-N 3.33Å; C924-Q926 PolarHBondContact O-N 2.82Å |
| 927 | H | 88.5 | Confident | 87 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -104.5 | -9.4 | -176 | -68.3 | 77.8 | 0 | 0 | 0 | 113.7 | Q886 Q887 F923 C924 D925 F929 | Q886-H927 PolarHBondContact NE2-CD2 3.04Å; Q886-H927 PolarHBondContact NE2-NE2 3.2Å; Q886-H927 VanDerWaalsContact NE2-NE2 3.19Å; Q887-H927 VanDerWaalsContact CG-O 3.23Å; Q887-H927 WeakPolarHBondContact CG-O 3.38Å; F923-H927 AromaticContact CD2-CE1 3.71Å; F923-H927 AromaticContact CD2-ND1 3.65Å; F923-H927 AromaticContact CE2-CE1 3.67Å; F923-H927 AromaticContact CE2-ND1 3.74Å; F923-H927 PolarHBondContact O-N 2.87Å; F923-H927 PolarHBondContact O-ND1 3.17Å; C924-H927 PolarHBondContact O-N 2.8Å; D925-H927 VanDerWaalsContact C-N 3.3Å; D925-H927 PolarHBondContact O-N 3.15Å; H927-F929 HydrophobicContact CB-CD1 4.35Å; H927-F929 HydrophobicContact CB-CD2 3.51Å; H927-F929 HydrophobicContact CB-CE1 4.14Å; H927-F929 HydrophobicContact CB-CE2 3.27Å; H927-F929 HydrophobicContact CB-CG 4.05Å; H927-F929 HydrophobicContact CB-CZ 3.61Å; H927-F929 AromaticContact CG-CE2 3.75Å |
| 928 | G | 87.3 | Confident | 87.2 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 44 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L875 Q887 C924 | L875-G928 WeakPolarHBondContact CB-O 3.26Å; L875-G928 PolarHBondContact N-O 3.29Å; Q887-G928 PolarHBondContact NE2-O 3.44Å; C924-G928 WeakPolarHBondContact O-CA 3.45Å; C924-G928 PolarHBondContact O-N 3.41Å |
| 929 | F | 91 | Very high | 87.1 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -101 | 157.1 | 172 | -55.6 | -39.2 | 0 | 0 | 0 | 111.7 | P873 F874 L875 Q887 F890 V904 F923 C924 H927 S931 | P873-F929 CarbonylContact O-C 3.6Å; P873-F929 VanDerWaalsContact O-CA 3.29Å; P873-F929 WeakPolarHBondContact O-CA 3.32Å; F874-F929 AromaticContact CD1-CD1 3.89Å; F874-F929 HydrophobicContact CD1-CD1 3.89Å; F874-F929 AromaticContact CD1-CE1 3.71Å; F874-F929 HydrophobicContact CD1-CE1 3.71Å; F874-F929 HydrophobicContact CE1-CD1 4.23Å; F874-F929 AromaticContact CE1-CE1 3.7Å; F874-F929 HydrophobicContact CE1-CE1 3.7Å; L875-F929 WeakPolarHBondContact CD1-O 3.25Å; Q887-F929 HydrophobicContact CB-CE1 4.49Å; Q887-F929 HydrophobicContact CG-CE1 4.1Å; F890-F929 HydrophobicContact CD1-CZ 4.47Å; F890-F929 AromaticContact CD2-CZ 3.85Å; F890-F929 HydrophobicContact CD2-CZ 3.85Å; F890-F929 HydrophobicContact CE1-CE2 4.3Å; F890-F929 HydrophobicContact CE1-CZ 4.23Å; F890-F929 HydrophobicContact CE2-CE2 4.18Å; F890-F929 AromaticContact CE2-CZ 3.6Å; F890-F929 HydrophobicContact CE2-CZ 3.6Å; F890-F929 HydrophobicContact CG-CZ 4.29Å; F890-F929 AromaticContact CZ-CE2 3.92Å; F890-F929 HydrophobicContact CZ-CE2 3.92Å; F890-F929 AromaticContact CZ-CZ 3.8Å; F890-F929 HydrophobicContact CZ-CZ 3.8Å; V904-F929 HydrophobicContact CB-CZ 4.48Å; V904-F929 HydrophobicContact CG1-CB 4.29Å; V904-F929 HydrophobicContact CG1-CD1 3.99Å; V904-F929 HydrophobicContact CG1-CD2 3.64Å; V904-F929 HydrophobicContact CG1-CE1 4.21Å; V904-F929 HydrophobicContact CG1-CE2 3.85Å; V904-F929 HydrophobicContact CG1-CG 3.72Å; V904-F929 HydrophobicContact CG1-CZ 4.14Å; V904-F929 HydrophobicContact CG2-CD1 4.25Å; V904-F929 HydrophobicContact CG2-CE1 3.68Å; V904-F929 HydrophobicContact CG2-CE2 3.94Å; V904-F929 HydrophobicContact CG2-CZ 3.5Å; F923-F929 HydrophobicContact CD1-CD2 4.37Å; F923-F929 AromaticContact CE1-CD2 3.78Å; F923-F929 HydrophobicContact CE1-CD2 3.78Å; F923-F929 AromaticContact CE1-CE2 3.86Å; F923-F929 HydrophobicContact CE1-CE2 3.86Å; F923-F929 HydrophobicContact CZ-CD2 4.18Å; F923-F929 AromaticContact CZ-CE2 3.77Å; F923-F929 HydrophobicContact CZ-CE2 3.77Å; C924-F929 HydrophobicContact CB-CB 4.04Å; C924-F929 PolarHBondContact O-N 3.15Å; H927-F929 HydrophobicContact CB-CD1 4.35Å; H927-F929 HydrophobicContact CB-CD2 3.51Å; H927-F929 HydrophobicContact CB-CE1 4.14Å; H927-F929 HydrophobicContact CB-CE2 3.27Å; H927-F929 HydrophobicContact CB-CG 4.05Å; H927-F929 HydrophobicContact CB-CZ 3.61Å; H927-F929 AromaticContact CG-CE2 3.75Å; F929-S931 PolarHBondContact O-N 3.45Å |
| 930 | N | 86 | Confident | 86.8 | Confident | 28 Ų | 28 | 34.7 Ų | 34.7 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | trans | -98.5 | 84.8 | -178.5 | -173.1 | 2.1 | 0 | 0 | 0 | 110.2 | D872 P873 L875 S932 A933 L934 | D872-N930 PolarHBondContact O-ND2 3.43Å; P873-N930 PolarHBondContact O-N 3.32Å; L875-N930 HydrophobicContact CD2-CB 3.79Å; L875-N930 HydrophobicContact CG-CB 4.04Å; N930-S932 PolarHBondContact O-N 3.06Å; N930-S932 VanDerWaalsContact O-N 3.13Å; N930-S932 WeakPolarHBondContact OD1-CB 3.18Å; N930-S932 PolarHBondContact OD1-N 3.01Å; N930-S932 PolarHBondContact OD1-OG 3.19Å; N930-A933 HydrophobicContact CB-CB 3.96Å; N930-A933 WeakPolarHBondContact ND2-CB 3.2Å; N930-A933 WeakPolarHBondContact O-CA 3.39Å; N930-A933 WeakPolarHBondContact O-CB 3.21Å; N930-A933 PolarHBondContact O-N 3.44Å; N930-A933 PolarHBondContact OD1-N 2.84Å; N930-L934 PolarHBondContact O-N 3.29Å; N930-L934 VanDerWaalsContact O-N 3.1Å | ||
| 931 | S | 84.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.4 | -38 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | D921 F929 A933 L934 R935 | D921-S931 WeakPolarHBondContact OD1-CB 3.48Å; D921-S931 PolarHBondContact OD1-OG 3.38Å; F929-S931 PolarHBondContact O-N 3.45Å; S931-A933 VanDerWaalsContact C-N 3.34Å; S931-A933 PolarHBondContact O-N 2.85Å; S931-L934 PolarHBondContact O-N 3.43Å; S931-R935 WeakPolarHBondContact O-CG 3.41Å; S931-R935 PolarHBondContact O-N 3.1Å; S931-R935 PolarHBondContact OG-NH1 3.3Å; S931-R935 VanDerWaalsContact OG-NH1 3.1Å |
| 932 | S | 76.5 | Confident | 87.2 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.9 | -44.7 | 172.4 | -13.6 | 0 | 0 | 0 | 0 | 113.6 | P671 N930 V936 | P671-S932 WeakPolarHBondContact CD-OG 3.48Å; N930-S932 PolarHBondContact O-N 3.06Å; N930-S932 VanDerWaalsContact O-N 3.13Å; N930-S932 WeakPolarHBondContact OD1-CB 3.18Å; N930-S932 PolarHBondContact OD1-N 3.01Å; N930-S932 PolarHBondContact OD1-OG 3.19Å; S932-V936 WeakPolarHBondContact O-CG2 3.32Å; S932-V936 PolarHBondContact O-N 3.02Å |
| 933 | A | 82.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -44.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C871 N930 S931 R935 V936 I937 | C871-A933 HydrophobicContact CB-CB 3.98Å; N930-A933 HydrophobicContact CB-CB 3.96Å; N930-A933 WeakPolarHBondContact ND2-CB 3.2Å; N930-A933 WeakPolarHBondContact O-CA 3.39Å; N930-A933 WeakPolarHBondContact O-CB 3.21Å; N930-A933 PolarHBondContact O-N 3.44Å; N930-A933 PolarHBondContact OD1-N 2.84Å; S931-A933 VanDerWaalsContact C-N 3.34Å; S931-A933 PolarHBondContact O-N 2.85Å; A933-R935 PolarHBondContact O-N 3.19Å; A933-V936 PolarHBondContact O-N 3.45Å; A933-V936 VanDerWaalsContact O-N 3.11Å; A933-I937 HydrophobicContact CB-CD1 4.39Å; A933-I937 WeakPolarHBondContact O-CB 3.21Å; A933-I937 WeakPolarHBondContact O-CD1 3.33Å; A933-I937 VanDerWaalsContact O-CG1 3.23Å; A933-I937 WeakPolarHBondContact O-CG1 3.4Å; A933-I937 PolarHBondContact O-N 3.27Å |
| 934 | L | 90.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | -179.6 | -61.2 | 173.5 | 0 | 0 | 0 | 111.7 | P873 V904 F905 W908 N930 S931 V936 I937 D938 | P873-L934 HydrophobicContact CB-CD2 3.79Å; V904-L934 HydrophobicContact CG1-CD1 4.08Å; V904-L934 HydrophobicContact CG1-CD2 4.28Å; F905-L934 HydrophobicContact CB-CD2 4.24Å; F905-L934 HydrophobicContact CD2-CD2 4.11Å; W908-L934 HydrophobicContact CB-CD1 3.81Å; W908-L934 HydrophobicContact CD2-CB 3.76Å; W908-L934 HydrophobicContact CD2-CD1 3.96Å; W908-L934 HydrophobicContact CD2-CG 4.45Å; W908-L934 HydrophobicContact CE3-CB 3.87Å; W908-L934 HydrophobicContact CG-CB 4.31Å; W908-L934 HydrophobicContact CG-CD1 3.56Å; W908-L934 HydrophobicContact CH2-CB 4.3Å; W908-L934 HydrophobicContact CZ2-CB 4.2Å; W908-L934 HydrophobicContact CZ3-CB 4.13Å; N930-L934 PolarHBondContact O-N 3.29Å; N930-L934 VanDerWaalsContact O-N 3.1Å; S931-L934 PolarHBondContact O-N 3.43Å; L934-V936 VanDerWaalsContact C-N 3.35Å; L934-V936 PolarHBondContact O-N 3.23Å; L934-I937 PolarHBondContact O-N 3.47Å; L934-D938 WeakPolarHBondContact O-CB 3.24Å; L934-D938 PolarHBondContact O-N 3.19Å |
| 935 | R | 86 | Confident | 87.3 | Confident | 54 Ų | 54 | 33.2 Ų | 33.2 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 173.1 | -72.2 | -177.6 | 171.1 | 121.3 | -3 | 113.5 | W908 D917 D921 S931 A933 D939 | W908-R935 HydrophobicContact CH2-CG 3.88Å; W908-R935 HydrophobicContact CZ2-CG 3.53Å; D917-R935 IonicContact OD1-CZ 3Å; D917-R935 IonicContact OD1-NE 3.94Å; D917-R935 PolarHBondContact OD1-NE 2.79Å; D917-R935 IonicContact OD1-NH2 3.29Å; D917-R935 PolarHBondContact OD1-NH2 2.77Å; D921-R935 VanDerWaalsContact CG-NH1 3.3Å; D921-R935 IonicContact OD1-CZ 3.21Å; D921-R935 IonicContact OD1-NH1 2.73Å; D921-R935 PolarHBondContact OD1-NH1 2.9Å; D921-R935 IonicContact OD1-NH2 2.77Å; D921-R935 IonicContact OD2-CZ 3.17Å; D921-R935 IonicContact OD2-NH1 2.86Å; D921-R935 PolarHBondContact OD2-NH1 3.45Å; D921-R935 IonicContact OD2-NH2 2.96Å; D921-R935 PolarHBondContact OD2-NH2 3.48Å; S931-R935 WeakPolarHBondContact O-CG 3.41Å; S931-R935 PolarHBondContact O-N 3.1Å; S931-R935 PolarHBondContact OG-NH1 3.3Å; S931-R935 VanDerWaalsContact OG-NH1 3.1Å; A933-R935 PolarHBondContact O-N 3.19Å; R935-D939 PolarHBondContact O-N 2.9Å; R935-D939 VanDerWaalsContact O-N 3.12Å |
| 936 | V | 78.1 | Confident | 87.5 | Confident | 27 Ų | 27 | 29 Ų | 29 | 16% | 0.164 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -79 | -27.9 | 178.9 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | L869 S932 A933 L934 A940 | L869-V936 HydrophobicContact CD1-CG1 3.93Å; L869-V936 HydrophobicContact CD2-CG1 4.49Å; S932-V936 WeakPolarHBondContact O-CG2 3.32Å; S932-V936 PolarHBondContact O-N 3.02Å; A933-V936 PolarHBondContact O-N 3.45Å; A933-V936 VanDerWaalsContact O-N 3.11Å; L934-V936 VanDerWaalsContact C-N 3.35Å; L934-V936 PolarHBondContact O-N 3.23Å; V936-A940 VanDerWaalsContact O-CB 3.25Å; V936-A940 WeakPolarHBondContact O-CB 3.08Å; V936-A940 PolarHBondContact O-N 2.72Å; V936-A940 VanDerWaalsContact O-N 3.15Å |
| 937 | I | 88.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 171.3 | -70.2 | 160.9 | 0 | 0 | 0 | 110.4 | V862 T866 L869 F905 A933 L934 A940 A941 | V862-I937 HydrophobicContact CG1-CG2 3.82Å; T866-I937 HydrophobicContact CG2-CD1 4.14Å; L869-I937 HydrophobicContact CD1-CG1 4.29Å; F905-I937 HydrophobicContact CD2-CB 4.49Å; F905-I937 HydrophobicContact CD2-CG2 3.92Å; F905-I937 HydrophobicContact CE2-CB 4.34Å; F905-I937 HydrophobicContact CE2-CG2 3.88Å; A933-I937 HydrophobicContact CB-CD1 4.39Å; A933-I937 WeakPolarHBondContact O-CB 3.21Å; A933-I937 WeakPolarHBondContact O-CD1 3.33Å; A933-I937 VanDerWaalsContact O-CG1 3.23Å; A933-I937 WeakPolarHBondContact O-CG1 3.4Å; A933-I937 PolarHBondContact O-N 3.27Å; L934-I937 PolarHBondContact O-N 3.47Å; I937-A940 PolarHBondContact O-N 3.45Å; I937-A941 VanDerWaalsContact O-CB 3.27Å; I937-A941 WeakPolarHBondContact O-CB 3.11Å; I937-A941 PolarHBondContact O-N 3.45Å |
| 938 | D | 90.6 | Very high | 87.8 | Confident | 26 Ų | 26 | 23.1 Ų | 23.1 | 14% | 0.139 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -57.4 | 172.9 | -178.2 | 29.2 | 0 | 0 | 0 | 111.1 | F905 W908 R912 L934 A940 A941 N942 | F905-D938 HydrophobicContact CE2-CB 3.88Å; F905-D938 HydrophobicContact CZ-CB 3.99Å; W908-D938 HydrophobicContact CH2-CB 4.28Å; W908-D938 HydrophobicContact CZ3-CB 4.15Å; R912-D938 IonicContact CZ-OD2 3.66Å; R912-D938 IonicContact NH1-OD2 3.86Å; R912-D938 PolarHBondContact NH1-OD2 3.14Å; L934-D938 WeakPolarHBondContact O-CB 3.24Å; L934-D938 PolarHBondContact O-N 3.19Å; D938-A940 PolarHBondContact O-N 2.74Å; D938-A940 VanDerWaalsContact O-N 3.15Å; D938-A941 PolarHBondContact O-N 2.71Å; D938-N942 WeakPolarHBondContact O-CB 3.36Å; D938-N942 PolarHBondContact O-N 2.75Å; D938-N942 PolarHBondContact O-ND2 2.84Å; D938-N942 PolarHBondContact OD1-ND2 3.05Å |
| 939 | D | 84.3 | Confident | 88.1 | Confident | 49 Ų | 49 | 24.5 Ų | 24.5 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -46.2 | -45.5 | 172.9 | -96.8 | 3.4 | 0 | 0 | 0 | 112.7 | R672 R935 Q943 | R672-D939 IonicContact CZ-OD2 2.76Å; R672-D939 VanDerWaalsContact CZ-OD2 3.26Å; R672-D939 IonicContact NH1-OD2 3.68Å; R672-D939 PolarHBondContact NH1-OD2 3.3Å; R672-D939 IonicContact NH2-OD2 3.38Å; R672-D939 PolarHBondContact NH2-OD2 3.19Å; R935-D939 PolarHBondContact O-N 2.9Å; R935-D939 VanDerWaalsContact O-N 3.12Å; D939-Q943 WeakPolarHBondContact O-CG 3.41Å; D939-Q943 PolarHBondContact O-N 3.41Å; D939-Q943 PolarHBondContact O-NE2 3.27Å |
| 940 | A | 86.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.4 | -46 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F452 S865 L869 V936 I937 D938 Q943 L944 | F452-A940 HydrophobicContact CD1-CB 4.11Å; F452-A940 HydrophobicContact CD2-CB 3.61Å; F452-A940 HydrophobicContact CE1-CB 3.94Å; F452-A940 HydrophobicContact CE2-CB 3.43Å; F452-A940 VanDerWaalsContact CE2-CB 3.43Å; F452-A940 HydrophobicContact CG-CB 3.96Å; F452-A940 HydrophobicContact CZ-CB 3.62Å; S865-A940 WeakPolarHBondContact OG-CB 3.41Å; L869-A940 HydrophobicContact CD1-CB 3.92Å; V936-A940 VanDerWaalsContact O-CB 3.25Å; V936-A940 WeakPolarHBondContact O-CB 3.08Å; V936-A940 PolarHBondContact O-N 2.72Å; V936-A940 VanDerWaalsContact O-N 3.15Å; I937-A940 PolarHBondContact O-N 3.45Å; D938-A940 PolarHBondContact O-N 2.74Å; D938-A940 VanDerWaalsContact O-N 3.15Å; A940-Q943 PolarHBondContact O-N 2.8Å; A940-L944 WeakPolarHBondContact O-CG 3.43Å; A940-L944 PolarHBondContact O-N 3.02Å |
| 941 | A | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -49.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A861 V862 S865 I937 D938 Q943 L944 R945 | A861-A941 HydrophobicContact CB-CB 4.02Å; V862-A941 HydrophobicContact CG2-CB 3.96Å; S865-A941 WeakPolarHBondContact OG-CA 3.4Å; S865-A941 PolarHBondContact OG-N 3.28Å; I937-A941 VanDerWaalsContact O-CB 3.27Å; I937-A941 WeakPolarHBondContact O-CB 3.11Å; I937-A941 PolarHBondContact O-N 3.45Å; D938-A941 PolarHBondContact O-N 2.71Å; A941-Q943 PolarHBondContact O-N 3.29Å; A941-Q943 VanDerWaalsContact O-N 3.12Å; A941-L944 PolarHBondContact O-N 2.97Å; A941-R945 WeakPolarHBondContact O-CG 3.42Å; A941-R945 PolarHBondContact O-N 2.99Å |
| 942 | N | 91.7 | Very high | 88.3 | Confident | 56 Ų | 56 | 29.4 Ų | 29.4 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -53.9 | -35.6 | 176.6 | -68.3 | -33.1 | 0 | 0 | 0 | 112.4 | D938 R945 A946 | D938-N942 WeakPolarHBondContact O-CB 3.36Å; D938-N942 PolarHBondContact O-N 2.75Å; D938-N942 PolarHBondContact O-ND2 2.84Å; D938-N942 PolarHBondContact OD1-ND2 3.05Å; N942-R945 VanDerWaalsContact OD1-CZ 3.24Å; N942-R945 PolarHBondContact OD1-NH1 2.79Å; N942-R945 PolarHBondContact OD1-NH2 3.1Å; N942-R945 VanDerWaalsContact OD1-NH2 3.1Å; N942-A946 WeakPolarHBondContact O-CB 3.29Å; N942-A946 PolarHBondContact O-N 3.16Å |
| 943 | Q | 87.8 | Confident | 89.2 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 29% | 0.29 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -83.6 | -28.9 | 179.2 | -76.9 | 172.4 | 85.2 | 0 | 0 | 114 | F452 D939 A940 A941 I947 | F452-Q943 VanDerWaalsContact C-OE1 3.3Å; F452-Q943 VanDerWaalsContact CA-NE2 3.35Å; F452-Q943 VanDerWaalsContact CA-OE1 3.26Å; F452-Q943 HydrophobicContact CD1-CB 3.93Å; F452-Q943 HydrophobicContact CE1-CB 4.39Å; F452-Q943 PolarHBondContact O-NE2 3.18Å; D939-Q943 WeakPolarHBondContact O-CG 3.41Å; D939-Q943 PolarHBondContact O-N 3.41Å; D939-Q943 PolarHBondContact O-NE2 3.27Å; A940-Q943 PolarHBondContact O-N 2.8Å; A941-Q943 PolarHBondContact O-N 3.29Å; A941-Q943 VanDerWaalsContact O-N 3.12Å; Q943-I947 VanDerWaalsContact O-CG1 3.25Å; Q943-I947 WeakPolarHBondContact O-CG1 3.41Å; Q943-I947 PolarHBondContact O-N 3.37Å |
| 944 | L | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 166.8 | -72.3 | 172.7 | 0 | 0 | 0 | 110.8 | L838 P839 I840 L848 A861 T864 S865 A940 A941 I947 L948 | L838-L944 HydrophobicContact CD2-CD2 4.01Å; P839-L944 HydrophobicContact CG-CD2 3.84Å; I840-L944 HydrophobicContact CD1-CD2 3.9Å; I840-L944 HydrophobicContact CG1-CD2 4.23Å; I840-L944 HydrophobicContact CG2-CD1 4.29Å; I840-L944 HydrophobicContact CG2-CD2 4.04Å; L848-L944 HydrophobicContact CD2-CB 4.06Å; L848-L944 HydrophobicContact CD2-CD1 4.13Å; L848-L944 HydrophobicContact CD2-CD2 4.28Å; L848-L944 HydrophobicContact CD2-CG 4.4Å; A861-L944 HydrophobicContact CB-CB 4.27Å; T864-L944 HydrophobicContact CG2-CD1 3.92Å; S865-L944 WeakPolarHBondContact OG-CD1 3.39Å; A940-L944 WeakPolarHBondContact O-CG 3.43Å; A940-L944 PolarHBondContact O-N 3.02Å; A941-L944 PolarHBondContact O-N 2.97Å; L944-I947 PolarHBondContact O-N 2.97Å; L944-L948 WeakPolarHBondContact O-CG 3.14Å; L944-L948 PolarHBondContact O-N 3.37Å |
| 945 | R | 94 | Very high | 89.7 | Confident | 32 Ų | 32 | 32.1 Ų | 32.1 | 12% | 0.121 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.3 | -59.1 | -173.5 | -20.9 | -116.2 | 0.9 | 111.3 | A861 A941 N942 I947 L948 I949 L958 D960 | A861-R945 HydrophobicContact CB-CG 3.84Å; A941-R945 WeakPolarHBondContact O-CG 3.42Å; A941-R945 PolarHBondContact O-N 2.99Å; N942-R945 VanDerWaalsContact OD1-CZ 3.24Å; N942-R945 PolarHBondContact OD1-NH1 2.79Å; N942-R945 PolarHBondContact OD1-NH2 3.1Å; N942-R945 VanDerWaalsContact OD1-NH2 3.1Å; R945-I947 VanDerWaalsContact C-N 3.33Å; R945-I947 PolarHBondContact O-N 2.9Å; R945-L948 PolarHBondContact O-N 2.77Å; R945-I949 WeakPolarHBondContact O-CG1 3.44Å; R945-I949 PolarHBondContact O-N 2.6Å; R945-L958 HydrophobicContact CB-CB 4.25Å; R945-L958 HydrophobicContact CB-CD2 4.34Å; R945-L958 WeakPolarHBondContact CD-O 3.36Å; R945-L958 HydrophobicContact CG-CB 4.28Å; R945-L958 HydrophobicContact CG-CD2 4.04Å; R945-L958 PolarHBondContact NE-O 2.69Å; R945-D960 IonicContact CZ-OD1 2.9Å; R945-D960 IonicContact CZ-OD2 3.64Å; R945-D960 VanDerWaalsContact CZ-OD2 3.26Å; R945-D960 IonicContact NE-OD1 3.96Å; R945-D960 IonicContact NH1-OD1 3.82Å; R945-D960 PolarHBondContact NH1-OD1 3.3Å; R945-D960 IonicContact NH1-OD2 2.89Å; R945-D960 PolarHBondContact NH1-OD2 3.41Å; R945-D960 IonicContact NH2-OD1 3.28Å; R945-D960 PolarHBondContact NH2-OD1 2.9Å; R945-D960 IonicContact NH2-OD2 2.81Å; R945-D960 PolarHBondContact NH2-OD2 3.15Å |
| 946 | A | 89.7 | Confident | 90 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 33% | 0.331 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.4 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N942 N950 | N942-A946 WeakPolarHBondContact O-CB 3.29Å; N942-A946 PolarHBondContact O-N 3.16Å; A946-N950 PolarHBondContact O-N 2.99Å; A946-N950 VanDerWaalsContact O-N 3.16Å; A946-N950 PolarHBondContact O-ND2 2.9Å |
| 947 | I | 89.7 | Confident | 90.7 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 174.8 | -71.4 | 165.2 | 0 | 0 | 0 | 110.5 | L838 P839 Q943 L944 R945 N950 L951 | L838-I947 HydrophobicContact CD2-CB 4.31Å; L838-I947 HydrophobicContact CD2-CG2 3.79Å; P839-I947 HydrophobicContact CG-CD1 4.09Å; Q943-I947 VanDerWaalsContact O-CG1 3.25Å; Q943-I947 WeakPolarHBondContact O-CG1 3.41Å; Q943-I947 PolarHBondContact O-N 3.37Å; L944-I947 PolarHBondContact O-N 2.97Å; R945-I947 VanDerWaalsContact C-N 3.33Å; R945-I947 PolarHBondContact O-N 2.9Å; I947-N950 CarbonylContact O-C 3.55Å; I947-N950 PolarHBondContact O-N 2.96Å; I947-L951 HydrophobicContact CG2-CD1 3.9Å; I947-L951 VanDerWaalsContact O-CG 3.29Å; I947-L951 WeakPolarHBondContact O-CG 3.36Å; I947-L951 PolarHBondContact O-N 3.11Å; I947-L951 VanDerWaalsContact O-N 3.13Å |
| 948 | L | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 179.2 | -68.8 | 168.1 | 0 | 0 | 0 | 112.5 | I834 L838 L848 I849 L944 R945 N950 L951 G952 F953 L958 | I834-L948 HydrophobicContact CG2-CD2 3.99Å; L838-L948 HydrophobicContact CD1-CD2 4.33Å; L838-L948 HydrophobicContact CD2-CD2 4.12Å; L838-L948 HydrophobicContact CD2-CG 4.13Å; L848-L948 HydrophobicContact CD1-CD1 4.35Å; L848-L948 HydrophobicContact CD2-CD1 3.84Å; L848-L948 HydrophobicContact CG-CD1 3.82Å; I849-L948 HydrophobicContact CG1-CD2 4.4Å; L944-L948 WeakPolarHBondContact O-CG 3.14Å; L944-L948 PolarHBondContact O-N 3.37Å; R945-L948 PolarHBondContact O-N 2.77Å; L948-N950 VanDerWaalsContact C-N 3.3Å; L948-N950 PolarHBondContact O-N 3.36Å; L948-L951 CarbonylContact O-C 3.58Å; L948-L951 WeakPolarHBondContact O-CA 3.47Å; L948-L951 WeakPolarHBondContact O-CB 3.09Å; L948-L951 PolarHBondContact O-N 2.9Å; L948-G952 PolarHBondContact O-N 2.73Å; L948-F953 HydrophobicContact CB-CB 4.13Å; L948-F953 HydrophobicContact CB-CD2 3.92Å; L948-F953 HydrophobicContact CB-CG 4.13Å; L948-F953 HydrophobicContact CD2-CD2 3.78Å; L948-F953 HydrophobicContact CD2-CE2 3.7Å; L948-F953 HydrophobicContact CD2-CG 4.44Å; L948-F953 HydrophobicContact CD2-CZ 4.3Å; L948-F953 HydrophobicContact CG-CD2 4.45Å; L948-F953 WeakPolarHBondContact O-CB 3.21Å; L948-F953 WeakPolarHBondContact O-CD2 3.49Å; L948-F953 PolarHBondContact O-N 3.23Å; L948-F953 VanDerWaalsContact O-N 3.1Å; L948-L958 HydrophobicContact CB-CD1 3.59Å; L948-L958 HydrophobicContact CB-CD2 4.38Å; L948-L958 HydrophobicContact CD1-CD1 4.48Å; L948-L958 HydrophobicContact CD1-CD2 3.77Å |
| 949 | I | 93 | Very high | 90.8 | Very high | 49 Ų | 49 | 35.4 Ų | 35.4 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 172.9 | -66.4 | 159.8 | 0 | 0 | 0 | 110.9 | R945 L951 G952 F953 E955 L958 | R945-I949 WeakPolarHBondContact O-CG1 3.44Å; R945-I949 PolarHBondContact O-N 2.6Å; I949-L951 PolarHBondContact O-N 3.37Å; I949-G952 PolarHBondContact O-N 2.75Å; I949-G952 VanDerWaalsContact O-N 3.08Å; I949-F953 WeakPolarHBondContact CA-O 3.37Å; I949-E955 HydrophobicContact CD1-CG 4.11Å; I949-E955 HydrophobicContact CG1-CG 4.36Å; I949-E955 HydrophobicContact CG2-CG 4.36Å; I949-L958 HydrophobicContact CG1-CD1 3.8Å |
| 950 | N | 87.4 | Confident | 90.8 | Very high | 84 Ų | 84 | 36.2 Ų | 36.2 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.8 | 174.4 | -71 | -51 | 0 | 0 | 0 | 114.1 | P31 A946 I947 L948 | P31-N950 PolarHBondContact O-OD1 3.12Å; A946-N950 PolarHBondContact O-N 2.99Å; A946-N950 VanDerWaalsContact O-N 3.16Å; A946-N950 PolarHBondContact O-ND2 2.9Å; I947-N950 CarbonylContact O-C 3.55Å; I947-N950 PolarHBondContact O-N 2.96Å; L948-N950 VanDerWaalsContact C-N 3.3Å; L948-N950 PolarHBondContact O-N 3.36Å |
| 951 | L | 89.3 | Confident | 90.8 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3.9 | 172.9 | -65.4 | 170.1 | 0 | 0 | 0 | 113 | I834 I947 L948 I949 F953 | I834-L951 HydrophobicContact CB-CD1 4.48Å; I834-L951 HydrophobicContact CG1-CD1 4.48Å; I834-L951 HydrophobicContact CG2-CD1 3.96Å; I947-L951 HydrophobicContact CG2-CD1 3.9Å; I947-L951 VanDerWaalsContact O-CG 3.29Å; I947-L951 WeakPolarHBondContact O-CG 3.36Å; I947-L951 PolarHBondContact O-N 3.11Å; I947-L951 VanDerWaalsContact O-N 3.13Å; L948-L951 CarbonylContact O-C 3.58Å; L948-L951 WeakPolarHBondContact O-CA 3.47Å; L948-L951 WeakPolarHBondContact O-CB 3.09Å; L948-L951 PolarHBondContact O-N 2.9Å; I949-L951 PolarHBondContact O-N 3.37Å; L951-F953 HydrophobicContact CB-CD2 4.3Å; L951-F953 HydrophobicContact CB-CE2 4.5Å |
| 952 | G | 90.2 | Very high | 90.5 | Very high | 26 Ų | 26 | 44 Ų | 44 | 27% | 0.268 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | 0.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L948 I949 P1106 E1107 | L948-G952 PolarHBondContact O-N 2.73Å; I949-G952 PolarHBondContact O-N 2.75Å; I949-G952 VanDerWaalsContact O-N 3.08Å; G952-P1106 CarbonylContact O-C 3.53Å; G952-E1107 VanDerWaalsContact O-CA 3.31Å; G952-E1107 WeakPolarHBondContact O-CA 3.35Å; G952-E1107 PolarHBondContact O-N 2.87Å |
| 953 | F | 94.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | trans | -69.6 | 136.4 | 174.1 | -70.6 | -97.3 | 0 | 0 | 0 | 110.6 | I834 I849 C852 L948 I949 L951 L958 T1102 P1106 | I834-F953 HydrophobicContact CD1-CE2 4.08Å; I834-F953 HydrophobicContact CD1-CZ 4.15Å; I849-F953 HydrophobicContact CG2-CE1 4.09Å; I849-F953 HydrophobicContact CG2-CZ 3.83Å; C852-F953 HydrophobicContact CB-CD1 3.88Å; C852-F953 HydrophobicContact CB-CE1 4.18Å; L948-F953 HydrophobicContact CB-CB 4.13Å; L948-F953 HydrophobicContact CB-CD2 3.92Å; L948-F953 HydrophobicContact CB-CG 4.13Å; L948-F953 HydrophobicContact CD2-CD2 3.78Å; L948-F953 HydrophobicContact CD2-CE2 3.7Å; L948-F953 HydrophobicContact CD2-CG 4.44Å; L948-F953 HydrophobicContact CD2-CZ 4.3Å; L948-F953 HydrophobicContact CG-CD2 4.45Å; L948-F953 WeakPolarHBondContact O-CB 3.21Å; L948-F953 WeakPolarHBondContact O-CD2 3.49Å; L948-F953 PolarHBondContact O-N 3.23Å; L948-F953 VanDerWaalsContact O-N 3.1Å; I949-F953 WeakPolarHBondContact CA-O 3.37Å; L951-F953 HydrophobicContact CB-CD2 4.3Å; L951-F953 HydrophobicContact CB-CE2 4.5Å; F953-L958 HydrophobicContact CB-CD1 3.77Å; F953-T1102 HydrophobicContact CE1-CG2 3.73Å; F953-T1102 HydrophobicContact CZ-CG2 4.29Å; F953-P1106 HydrophobicContact CD1-CB 4.2Å; F953-P1106 HydrophobicContact CD2-CB 3.67Å; F953-P1106 HydrophobicContact CD2-CG 4.33Å; F953-P1106 HydrophobicContact CE1-CB 4.19Å; F953-P1106 HydrophobicContact CE2-CB 3.66Å; F953-P1106 HydrophobicContact CE2-CG 3.89Å; F953-P1106 HydrophobicContact CG-CB 3.94Å; F953-P1106 HydrophobicContact CZ-CB 3.92Å; F953-P1106 HydrophobicContact CZ-CG 4.16Å | ||
| 954 | P | 93 | Very high | 90.7 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -68.3 | 145.4 | -177.4 | 26.1 | -33 | 0 | 0 | 0 | 112.5 | E956 S957 P1106 V1109 A1110 | P954-E956 WeakPolarHBondContact CB-OE2 3.42Å; P954-E956 PolarHBondContact O-N 3Å; P954-S957 PolarHBondContact O-N 2.84Å; P954-S957 PolarHBondContact O-OG 3.05Å; P954-P1106 WeakPolarHBondContact CD-O 3.21Å; P954-V1109 HydrophobicContact CG-CB 3.95Å; P954-V1109 HydrophobicContact CG-CG1 4.11Å; P954-A1110 HydrophobicContact CB-CB 4.1Å; P954-A1110 HydrophobicContact CG-CB 4.09Å | ||
| 955 | E | 92.2 | Very high | 90.7 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33 | -178.3 | -68.8 | -171.6 | -168.6 | 0 | 0 | 111.6 | R34 I949 L958 S959 | R34-E955 VanDerWaalsContact CG-OE1 3.28Å; R34-E955 WeakPolarHBondContact CG-OE1 3.38Å; R34-E955 IonicContact CZ-OE2 3.51Å; R34-E955 VanDerWaalsContact CZ-OE2 3.24Å; R34-E955 IonicContact NE-OE1 2.8Å; R34-E955 PolarHBondContact NE-OE1 2.9Å; R34-E955 IonicContact NE-OE2 3.99Å; R34-E955 PolarHBondContact NE-OE2 2.91Å; R34-E955 IonicContact NH2-OE2 3.62Å; R34-E955 PolarHBondContact NH2-OE2 3Å; I949-E955 HydrophobicContact CD1-CG 4.11Å; I949-E955 HydrophobicContact CG1-CG 4.36Å; I949-E955 HydrophobicContact CG2-CG 4.36Å; E955-L958 CarbonylContact O-C 3.59Å; E955-L958 VanDerWaalsContact O-C 3.29Å; E955-L958 PolarHBondContact O-N 3.21Å; E955-S959 PolarHBondContact O-N 2.83Å; E955-S959 VanDerWaalsContact O-N 3.12Å |
| 956 | E | 91.1 | Very high | 90.3 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 58% | 0.584 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -62.3 | -43.7 | -180 | -64.2 | 69.7 | -155.6 | 0 | 0 | 112 | P954 L958 S959 | P954-E956 WeakPolarHBondContact CB-OE2 3.42Å; P954-E956 PolarHBondContact O-N 3Å; E956-L958 PolarHBondContact O-N 3Å; E956-S959 VanDerWaalsContact O-CB 3.24Å; E956-S959 WeakPolarHBondContact O-CB 3.38Å; E956-S959 PolarHBondContact O-N 3.39Å; E956-S959 PolarHBondContact O-OG 3.44Å |
| 957 | S | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -66.6 | -18.1 | 178.9 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | C852 N855 G857 P954 | C852-S957 WeakPolarHBondContact O-CB 3.31Å; N855-S957 WeakPolarHBondContact OD1-CA 3.34Å; G857-S957 VanDerWaalsContact CA-O 3.31Å; G857-S957 WeakPolarHBondContact CA-O 3.23Å; G857-S957 PolarHBondContact N-O 2.83Å; P954-S957 PolarHBondContact O-N 2.84Å; P954-S957 PolarHBondContact O-OG 3.05Å |
| 958 | L | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -117.2 | 21.5 | -177.6 | -67.8 | 160 | 0 | 0 | 0 | 111 | R945 L948 I949 F953 E955 E956 | R945-L958 HydrophobicContact CB-CB 4.25Å; R945-L958 HydrophobicContact CB-CD2 4.34Å; R945-L958 WeakPolarHBondContact CD-O 3.36Å; R945-L958 HydrophobicContact CG-CB 4.28Å; R945-L958 HydrophobicContact CG-CD2 4.04Å; R945-L958 PolarHBondContact NE-O 2.69Å; L948-L958 HydrophobicContact CB-CD1 3.59Å; L948-L958 HydrophobicContact CB-CD2 4.38Å; L948-L958 HydrophobicContact CD1-CD1 4.48Å; L948-L958 HydrophobicContact CD1-CD2 3.77Å; I949-L958 HydrophobicContact CG1-CD1 3.8Å; F953-L958 HydrophobicContact CB-CD1 3.77Å; E955-L958 CarbonylContact O-C 3.59Å; E955-L958 VanDerWaalsContact O-C 3.29Å; E955-L958 PolarHBondContact O-N 3.21Å; E956-L958 PolarHBondContact O-N 3Å |
| 959 | S | 89 | Confident | 89 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | trans | -71.8 | 152 | 178.8 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | E955 E956 A961 | E955-S959 PolarHBondContact O-N 2.83Å; E955-S959 VanDerWaalsContact O-N 3.12Å; E956-S959 VanDerWaalsContact O-CB 3.24Å; E956-S959 WeakPolarHBondContact O-CB 3.38Å; E956-S959 PolarHBondContact O-N 3.39Å; E956-S959 PolarHBondContact O-OG 3.44Å; S959-A961 PolarHBondContact O-N 3.41Å; S959-A961 VanDerWaalsContact O-N 3.09Å | ||
| 960 | D | 83.7 | Confident | 88.8 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | trans | -83.3 | 37.9 | 177.2 | -66.5 | -50.3 | 0 | 0 | 0 | 112.2 | R945 L1160 | R945-D960 IonicContact CZ-OD1 2.9Å; R945-D960 IonicContact CZ-OD2 3.64Å; R945-D960 VanDerWaalsContact CZ-OD2 3.26Å; R945-D960 IonicContact NE-OD1 3.96Å; R945-D960 IonicContact NH1-OD1 3.82Å; R945-D960 PolarHBondContact NH1-OD1 3.3Å; R945-D960 IonicContact NH1-OD2 2.89Å; R945-D960 PolarHBondContact NH1-OD2 3.41Å; R945-D960 IonicContact NH2-OD1 3.28Å; R945-D960 PolarHBondContact NH2-OD1 2.9Å; R945-D960 IonicContact NH2-OD2 2.81Å; R945-D960 PolarHBondContact NH2-OD2 3.15Å; D960-L1160 HydrophobicContact CB-CD1 3.64Å; D960-L1160 VanDerWaalsContact O-CD1 3.28Å; D960-L1160 WeakPolarHBondContact O-CD1 3.13Å | ||
| 961 | A | 86.4 | Confident | 89 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | trans | -62.7 | 126.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S959 | S959-A961 PolarHBondContact O-N 3.41Å; S959-A961 VanDerWaalsContact O-N 3.09Å | ||
| 962 | P | 87 | Confident | 89.3 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 66% | 0.662 | 31% | 0.314 | S | S | * | . | trans | -73.2 | 136.7 | -175.1 | 28.7 | -34.4 | 0 | 0 | 0 | 111.6 | N964 | P962-N964 PolarHBondContact O-N 2.89Š| ||
| 963 | V | 92.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | trans | -84.9 | 113.4 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 107.4 | A859 L902 Q906 F965 D972 C973 L976 | A859-V963 HydrophobicContact CB-CG2 4.05Å; L902-V963 HydrophobicContact CD2-CG2 4.36Å; Q906-V963 PolarHBondContact OE1-O 3.11Å; V963-F965 HydrophobicContact CB-CE2 4.01Å; V963-F965 HydrophobicContact CB-CZ 4.26Å; V963-F965 HydrophobicContact CG1-CE1 4.32Å; V963-F965 HydrophobicContact CG1-CE2 4.11Å; V963-F965 HydrophobicContact CG1-CZ 3.95Å; V963-F965 WeakPolarHBondContact O-CD2 3.47Å; V963-F965 PolarHBondContact O-N 2.75Å; V963-D972 HydrophobicContact CG1-CB 4.28Å; V963-C973 WeakPolarHBondContact CG1-SG 3.36Å; V963-L976 HydrophobicContact CG2-CD1 4.31Å | ||
| 964 | N | 91.3 | Very high | 89.4 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | trans | -74.3 | 92.6 | -171.4 | -170.5 | -0.8 | 0 | 0 | 0 | 112.7 | P962 N966 L967 N970 | P962-N964 PolarHBondContact O-N 2.89Å; N964-N966 PolarHBondContact O-N 2.83Å; N964-N966 WeakPolarHBondContact OD1-CB 3.46Å; N964-N966 PolarHBondContact OD1-N 2.87Å; N964-N966 PolarHBondContact OD1-ND2 2.93Å; N964-L967 HydrophobicContact CB-CD1 4.21Å; N964-L967 HydrophobicContact CB-CG 4.25Å; N964-N970 PolarHBondContact N-ND2 3.03Å; N964-N970 PolarHBondContact O-ND2 3.08Å | ||
| 965 | F | 91.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -2.1 | 174.8 | -67.2 | -73.4 | 0 | 0 | 0 | 114.8 | A892 L899 L902 N903 V963 C973 | A892-F965 HydrophobicContact CB-CB 4.24Å; A892-F965 HydrophobicContact CB-CD1 4.2Å; L899-F965 HydrophobicContact CB-CE1 4.03Å; L899-F965 HydrophobicContact CB-CZ 4.45Å; L899-F965 HydrophobicContact CD2-CE1 4.27Å; L899-F965 HydrophobicContact CD2-CZ 4.34Å; L902-F965 HydrophobicContact CB-CZ 4.28Å; L902-F965 HydrophobicContact CD2-CZ 4.08Å; L902-F965 HydrophobicContact CG-CE2 4.19Å; L902-F965 HydrophobicContact CG-CZ 4.11Å; N903-F965 HydrophobicContact CB-CD1 4.34Å; N903-F965 HydrophobicContact CB-CD2 3.57Å; N903-F965 HydrophobicContact CB-CE1 4.41Å; N903-F965 HydrophobicContact CB-CE2 3.66Å; N903-F965 HydrophobicContact CB-CG 3.94Å; N903-F965 HydrophobicContact CB-CZ 4.08Å; N903-F965 VanDerWaalsContact CG-CD2 3.48Å; V963-F965 HydrophobicContact CB-CE2 4.01Å; V963-F965 HydrophobicContact CB-CZ 4.26Å; V963-F965 HydrophobicContact CG1-CE1 4.32Å; V963-F965 HydrophobicContact CG1-CE2 4.11Å; V963-F965 HydrophobicContact CG1-CZ 3.95Å; V963-F965 WeakPolarHBondContact O-CD2 3.47Å; V963-F965 PolarHBondContact O-N 2.75Å; F965-C973 VanDerWaalsContact CE1-SG 3.5Å |
| 966 | N | 86 | Confident | 89.7 | Confident | 134 Ų | 134 | 53.2 Ų | 53.2 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.5 | 176.7 | -62.3 | -84.3 | 0 | 0 | 0 | 113.2 | N964 | N964-N966 PolarHBondContact O-N 2.83Å; N964-N966 WeakPolarHBondContact OD1-CB 3.46Å; N964-N966 PolarHBondContact OD1-N 2.87Å; N964-N966 PolarHBondContact OD1-ND2 2.93Å |
| 967 | L | 85.6 | Confident | 89.9 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 45% | 0.445 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -79.2 | 142.5 | 172.6 | -58 | 177.2 | 0 | 0 | 0 | 110 | N964 H969 N970 | N964-L967 HydrophobicContact CB-CD1 4.21Å; N964-L967 HydrophobicContact CB-CG 4.25Å; L967-H969 WeakPolarHBondContact CB-O 3.36Å; L967-H969 PolarHBondContact O-N 2.96Å; L967-N970 HydrophobicContact CB-CB 4.29Å; L967-N970 HydrophobicContact CD1-CB 4.08Å |
| 968 | K | 76.4 | Confident | 90 | Very high | 220 Ų | 220 | 47.5 Ų | 47.5 | 96% | 0.957 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -60.7 | -27.1 | 173.6 | -176.3 | 177.6 | 177.3 | -177.8 | 0 | 112.2 | ||
| 969 | H | 83.3 | Confident | 90.2 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | trans | -149.7 | 131.9 | 171.7 | 169.9 | 51.2 | 0 | 0 | 0 | 107.9 | L967 D974 P1129 | L967-H969 WeakPolarHBondContact CB-O 3.36Å; L967-H969 PolarHBondContact O-N 2.96Å; H969-D974 IonicContact CE1-OD2 3.21Å; H969-D974 PolarHBondContact CE1-OD2 2.8Å; H969-D974 IonicContact ND1-OD2 2.68Å; H969-D974 PolarHBondContact ND1-OD2 2.77Å; H969-D974 VanDerWaalsContact ND1-OD2 3.13Å; H969-P1129 WeakPolarHBondContact CE1-CD 3.26Å | ||
| 970 | N | 90.8 | Very high | 90.5 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | trans | -133.1 | 115.8 | 174.4 | 179.5 | -5.5 | 0 | 0 | 0 | 109.1 | Y894 N964 L967 D972 C973 | Y894-N970 PolarHBondContact OH-N 3.45Å; Y894-N970 PolarHBondContact OH-O 3.43Å; N964-N970 PolarHBondContact N-ND2 3.03Å; N964-N970 PolarHBondContact O-ND2 3.08Å; L967-N970 HydrophobicContact CB-CB 4.29Å; L967-N970 HydrophobicContact CD1-CB 4.08Å; N970-D972 PolarHBondContact O-N 2.89Å; N970-D972 VanDerWaalsContact O-N 3.11Å; N970-D972 PolarHBondContact OD1-N 2.9Å; N970-C973 WeakPolarHBondContact O-CB 3.23Å; N970-C973 PolarHBondContact O-N 3.4Å; N970-C973 VanDerWaalsContact O-N 3.08Å | ||
| 971 | I | 91.3 | Very high | 91.1 | Very high | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.9 | -29 | -177.8 | -173.9 | 58 | 0 | 0 | 0 | 114.3 | C973 D974 I975 R1124 | I971-C973 VanDerWaalsContact C-N 3.32Å; I971-C973 PolarHBondContact O-N 2.97Å; I971-D974 HydrophobicContact CD1-CB 4.45Å; I971-D974 PolarHBondContact O-N 2.87Å; I971-I975 HydrophobicContact CD1-CG1 4.44Å; I971-I975 HydrophobicContact CG1-CG1 4.35Å; I971-I975 WeakPolarHBondContact O-CG1 3.44Å; I971-I975 PolarHBondContact O-N 2.75Å; I971-R1124 HydrophobicContact CD1-CB 3.98Å; I971-R1124 HydrophobicContact CD1-CG 4.26Å; I971-R1124 VanDerWaalsContact CD1-O 3.27Å; I971-R1124 WeakPolarHBondContact CD1-O 3.46Å; I971-R1124 HydrophobicContact CG1-CB 3.99Å; I971-R1124 HydrophobicContact CG1-CG 3.86Å |
| 972 | D | 93.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | -179.7 | -63.6 | -31.5 | 0 | 0 | 0 | 111.7 | L856 V963 N970 D974 L976 | L856-D972 HydrophobicContact CD1-CB 4.08Å; L856-D972 HydrophobicContact CD2-CB 3.85Å; V963-D972 HydrophobicContact CG1-CB 4.28Å; N970-D972 PolarHBondContact O-N 2.89Å; N970-D972 VanDerWaalsContact O-N 3.11Å; N970-D972 PolarHBondContact OD1-N 2.9Å; D972-D974 VanDerWaalsContact C-N 3.33Å; D972-L976 WeakPolarHBondContact O-CB 3.3Å; D972-L976 VanDerWaalsContact O-CG 3.23Å; D972-L976 WeakPolarHBondContact O-CG 3.29Å; D972-L976 PolarHBondContact O-N 2.89Å |
| 973 | C | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | Y894 L899 V963 F965 N970 I971 S977 | Y894-C973 HydrophobicContact CD1-CB 3.99Å; Y894-C973 HydrophobicContact CD2-CB 4.45Å; Y894-C973 HydrophobicContact CE1-CB 3.35Å; Y894-C973 HydrophobicContact CE2-CB 3.88Å; Y894-C973 HydrophobicContact CG-CB 4.5Å; Y894-C973 WeakPolarHBondContact OH-CB 3.48Å; L899-C973 HydrophobicContact CD1-CB 3.88Å; L899-C973 HydrophobicContact CD2-CB 4.37Å; V963-C973 WeakPolarHBondContact CG1-SG 3.36Å; F965-C973 VanDerWaalsContact CE1-SG 3.5Å; N970-C973 WeakPolarHBondContact O-CB 3.23Å; N970-C973 PolarHBondContact O-N 3.4Å; N970-C973 VanDerWaalsContact O-N 3.08Å; I971-C973 VanDerWaalsContact C-N 3.32Å; I971-C973 PolarHBondContact O-N 2.97Å; C973-S977 WeakPolarHBondContact O-CB 3.24Å; C973-S977 PolarHBondContact O-N 3.26Å; C973-S977 PolarHBondContact O-OG 3.42Å |
| 974 | D | 92.8 | Very high | 91.6 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 8% | 0.08 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.3 | -41.2 | 179.1 | -56.2 | -80.2 | 0 | 0 | 0 | 110.6 | H969 I971 D972 S977 T978 Q1048 | H969-D974 IonicContact CE1-OD2 3.21Å; H969-D974 PolarHBondContact CE1-OD2 2.8Å; H969-D974 IonicContact ND1-OD2 2.68Å; H969-D974 PolarHBondContact ND1-OD2 2.77Å; H969-D974 VanDerWaalsContact ND1-OD2 3.13Å; I971-D974 HydrophobicContact CD1-CB 4.45Å; I971-D974 PolarHBondContact O-N 2.87Å; D972-D974 VanDerWaalsContact C-N 3.33Å; D974-S977 CarbonylContact O-C 3.58Å; D974-S977 WeakPolarHBondContact O-CB 3.35Å; D974-S977 PolarHBondContact O-N 2.83Å; D974-T978 PolarHBondContact O-N 3.5Å; D974-T978 PolarHBondContact O-OG1 2.78Å; D974-Q1048 PolarHBondContact O-NE2 2.76Å; D974-Q1048 VanDerWaalsContact O-NE2 3.07Å |
| 975 | I | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 171.6 | -67.1 | -64.4 | 0 | 0 | 0 | 111.5 | F854 L856 I971 S977 T978 L979 L1123 R1124 | F854-I975 HydrophobicContact CB-CG2 4.13Å; F854-I975 HydrophobicContact CD1-CG2 3.99Å; F854-I975 HydrophobicContact CD2-CG2 4.09Å; F854-I975 HydrophobicContact CE1-CD1 4.5Å; F854-I975 HydrophobicContact CE1-CG2 4.49Å; F854-I975 HydrophobicContact CG-CG2 3.78Å; L856-I975 HydrophobicContact CD1-CB 4.08Å; L856-I975 HydrophobicContact CD1-CG2 3.77Å; I971-I975 HydrophobicContact CD1-CG1 4.44Å; I971-I975 HydrophobicContact CG1-CG1 4.35Å; I971-I975 WeakPolarHBondContact O-CG1 3.44Å; I971-I975 PolarHBondContact O-N 2.75Å; I975-S977 VanDerWaalsContact C-N 3.27Å; I975-S977 PolarHBondContact O-N 2.76Å; I975-T978 WeakPolarHBondContact O-CB 3.23Å; I975-T978 PolarHBondContact O-N 2.95Å; I975-L979 HydrophobicContact CG2-CD1 3.97Å; I975-L979 HydrophobicContact CG2-CG 4.36Å; I975-L979 WeakPolarHBondContact O-CB 3.47Å; I975-L979 VanDerWaalsContact O-CG 3.3Å; I975-L979 WeakPolarHBondContact O-CG 3.37Å; I975-L979 PolarHBondContact O-N 2.73Å; I975-L1123 HydrophobicContact CD1-CD2 4.16Å; I975-L1123 HydrophobicContact CD1-CG 4.15Å; I975-R1124 HydrophobicContact CD1-CG 3.97Å; I975-R1124 HydrophobicContact CG1-CG 4.14Å |
| 976 | L | 95.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.8 | -38 | 173.1 | -73.5 | 168.6 | 0 | 0 | 0 | 111.7 | L856 A859 A860 L863 L899 L902 V963 D972 L979 L980 | L856-L976 HydrophobicContact CB-CD2 4.27Å; L856-L976 HydrophobicContact CD1-CG 4.31Å; A859-L976 HydrophobicContact CB-CD1 3.99Å; A859-L976 HydrophobicContact CB-CD2 4.26Å; A860-L976 HydrophobicContact CB-CD2 4.3Å; L863-L976 HydrophobicContact CD1-CB 4.34Å; L863-L976 HydrophobicContact CD1-CD2 4.03Å; L899-L976 HydrophobicContact CD2-CB 4.2Å; L899-L976 HydrophobicContact CD2-CD1 4.18Å; L902-L976 HydrophobicContact CD2-CD1 3.8Å; V963-L976 HydrophobicContact CG2-CD1 4.31Å; D972-L976 WeakPolarHBondContact O-CB 3.3Å; D972-L976 VanDerWaalsContact O-CG 3.23Å; D972-L976 WeakPolarHBondContact O-CG 3.29Å; D972-L976 PolarHBondContact O-N 2.89Å; L976-L979 PolarHBondContact O-N 3.44Å; L976-L980 VanDerWaalsContact O-CG 3.31Å; L976-L980 WeakPolarHBondContact O-CG 3.32Å; L976-L980 PolarHBondContact O-N 3.25Å |
| 977 | S | 95.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.9 | -38.6 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 112.4 | C973 D974 I975 L980 V981 | C973-S977 WeakPolarHBondContact O-CB 3.24Å; C973-S977 PolarHBondContact O-N 3.26Å; C973-S977 PolarHBondContact O-OG 3.42Å; D974-S977 CarbonylContact O-C 3.58Å; D974-S977 WeakPolarHBondContact O-CB 3.35Å; D974-S977 PolarHBondContact O-N 2.83Å; I975-S977 VanDerWaalsContact C-N 3.27Å; I975-S977 PolarHBondContact O-N 2.76Å; S977-L980 PolarHBondContact O-N 2.82Å; S977-V981 PolarHBondContact O-N 2.77Å |
| 978 | T | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 171.2 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | D974 I975 V981 S982 Q1048 F1052 L1123 C1127 | D974-T978 PolarHBondContact O-N 3.5Å; D974-T978 PolarHBondContact O-OG1 2.78Å; I975-T978 WeakPolarHBondContact O-CB 3.23Å; I975-T978 PolarHBondContact O-N 2.95Å; T978-V981 WeakPolarHBondContact O-CB 3.42Å; T978-V981 PolarHBondContact O-N 3.41Å; T978-V981 VanDerWaalsContact O-N 3.13Å; T978-S982 PolarHBondContact O-N 2.69Å; T978-Q1048 HydrophobicContact CG2-CG 4.22Å; T978-Q1048 WeakPolarHBondContact OG1-CG 3.27Å; T978-Q1048 PolarHBondContact OG1-NE2 2.91Å; T978-F1052 HydrophobicContact CG2-CD2 3.52Å; T978-F1052 HydrophobicContact CG2-CE2 3.49Å; T978-F1052 VanDerWaalsContact CG2-CE2 3.49Å; T978-L1123 HydrophobicContact CG2-CD1 4.45Å; T978-C1127 PolarHBondContact OG1-SG 2.9Å |
| 979 | L | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.3 | -33.4 | -179.3 | -68.8 | 176.3 | 0 | 0 | 0 | 111.8 | M847 F850 A851 F854 I975 L976 V981 S982 G983 | M847-L979 HydrophobicContact CG-CB 3.95Å; M847-L979 WeakPolarHBondContact CG-O 3.39Å; F850-L979 HydrophobicContact CB-CD2 3.97Å; F850-L979 HydrophobicContact CD1-CD2 3.74Å; F850-L979 HydrophobicContact CE1-CD2 4.43Å; F850-L979 HydrophobicContact CG-CD2 3.84Å; A851-L979 HydrophobicContact CB-CD1 3.78Å; F854-L979 HydrophobicContact CD2-CD1 4Å; F854-L979 HydrophobicContact CE2-CD1 4.29Å; F854-L979 HydrophobicContact CE2-CD2 4.29Å; I975-L979 HydrophobicContact CG2-CD1 3.97Å; I975-L979 HydrophobicContact CG2-CG 4.36Å; I975-L979 WeakPolarHBondContact O-CB 3.47Å; I975-L979 VanDerWaalsContact O-CG 3.3Å; I975-L979 WeakPolarHBondContact O-CG 3.37Å; I975-L979 PolarHBondContact O-N 2.73Å; L976-L979 PolarHBondContact O-N 3.44Å; L979-V981 PolarHBondContact O-N 2.66Å; L979-S982 CarbonylContact O-C 3.42Å; L979-S982 WeakPolarHBondContact O-CA 3.38Å; L979-S982 WeakPolarHBondContact O-CB 3.34Å; L979-S982 PolarHBondContact O-N 2.77Å; L979-G983 PolarHBondContact O-N 2.75Å |
| 980 | L | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59 | -31.4 | 168.7 | -77.2 | 164 | 0 | 0 | 0 | 112.5 | M847 L863 H898 L976 S977 G983 L984 V1026 T1042 | M847-L980 HydrophobicContact CE-CD2 4.37Å; M847-L980 HydrophobicContact SD-CD2 3.79Å; M847-L980 HydrophobicContact SD-CG 4.13Å; L863-L980 HydrophobicContact CD1-CD1 4.25Å; L863-L980 HydrophobicContact CD1-CG 4.47Å; H898-L980 HydrophobicContact CB-CD1 3.61Å; H898-L980 HydrophobicContact CB-CD2 4.48Å; L976-L980 VanDerWaalsContact O-CG 3.31Å; L976-L980 WeakPolarHBondContact O-CG 3.32Å; L976-L980 PolarHBondContact O-N 3.25Å; S977-L980 PolarHBondContact O-N 2.82Å; L980-G983 PolarHBondContact O-N 2.82Å; L980-L984 HydrophobicContact CB-CD1 4.41Å; L980-L984 HydrophobicContact CD2-CD1 4.02Å; L980-L984 VanDerWaalsContact O-CB 3.24Å; L980-L984 WeakPolarHBondContact O-CB 3.31Å; L980-L984 WeakPolarHBondContact O-CG 3.29Å; L980-L984 PolarHBondContact O-N 3.31Å; L980-V1026 HydrophobicContact CB-CG2 4.28Å; L980-T1042 HydrophobicContact CD1-CG2 4.22Å |
| 981 | V | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 169.8 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | S977 T978 L979 G983 L984 Y985 V1026 V1044 Q1048 L1049 F1052 | S977-V981 PolarHBondContact O-N 2.77Å; T978-V981 WeakPolarHBondContact O-CB 3.42Å; T978-V981 PolarHBondContact O-N 3.41Å; T978-V981 VanDerWaalsContact O-N 3.13Å; L979-V981 PolarHBondContact O-N 2.66Å; V981-G983 VanDerWaalsContact C-N 3.26Å; V981-G983 PolarHBondContact O-N 3.34Å; V981-L984 PolarHBondContact O-N 3.15Å; V981-Y985 VanDerWaalsContact O-CB 3.28Å; V981-Y985 WeakPolarHBondContact O-CB 3.49Å; V981-Y985 PolarHBondContact O-N 2.73Å; V981-V1026 HydrophobicContact CB-CG1 4.37Å; V981-V1026 HydrophobicContact CG1-CG1 4.33Å; V981-V1026 HydrophobicContact CG2-CG1 3.98Å; V981-V1044 HydrophobicContact CG2-CB 4.24Å; V981-V1044 HydrophobicContact CG2-CG1 3.77Å; V981-Q1048 HydrophobicContact CG2-CB 4.09Å; V981-L1049 HydrophobicContact CG1-CD2 4.05Å; V981-F1052 HydrophobicContact CB-CB 4.02Å; V981-F1052 HydrophobicContact CG1-CB 3.83Å |
| 982 | S | 92.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 12.9 Ų | 12.9 | 15% | 0.154 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.7 | -27.2 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 113.5 | T978 L979 | T978-S982 PolarHBondContact O-N 2.69Å; L979-S982 CarbonylContact O-C 3.42Å; L979-S982 WeakPolarHBondContact O-CA 3.38Å; L979-S982 WeakPolarHBondContact O-CB 3.34Å; L979-S982 PolarHBondContact O-N 2.77Å |
| 983 | G | 92 | Very high | 92.7 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -85.2 | -26.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R843 L979 L980 V981 | R843-G983 WeakPolarHBondContact CB-O 3.46Å; L979-G983 PolarHBondContact O-N 2.75Å; L980-G983 PolarHBondContact O-N 2.82Å; V981-G983 VanDerWaalsContact C-N 3.26Å; V981-G983 PolarHBondContact O-N 3.34Å |
| 984 | L | 92.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 18.6 Ų | 18.6 | 7% | 0.073 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -111.9 | -15.3 | -173.1 | -60.7 | 174.3 | 0 | 0 | 0 | 114 | L844 L980 V981 N987 V1026 | L844-L984 HydrophobicContact CD2-CD2 4.01Å; L980-L984 HydrophobicContact CB-CD1 4.41Å; L980-L984 HydrophobicContact CD2-CD1 4.02Å; L980-L984 VanDerWaalsContact O-CB 3.24Å; L980-L984 WeakPolarHBondContact O-CB 3.31Å; L980-L984 WeakPolarHBondContact O-CG 3.29Å; L980-L984 PolarHBondContact O-N 3.31Å; V981-L984 PolarHBondContact O-N 3.15Å; L984-N987 WeakPolarHBondContact O-CB 3.34Å; L984-N987 PolarHBondContact O-N 3.24Å; L984-V1026 HydrophobicContact CB-CB 4.39Å; L984-V1026 HydrophobicContact CD1-CB 4.31Å; L984-V1026 HydrophobicContact CD1-CG2 4.07Å |
| 985 | Y | 90.2 | Very high | 92 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128.6 | 174.1 | 179.7 | -91.5 | 0 | 0 | 0 | 111 | R843 V981 I988 G1053 R1055 D1073 | R843-Y985 WeakPolarHBondContact CD-O 3.46Å; R843-Y985 PolarHBondContact NH1-O 3.09Å; V981-Y985 VanDerWaalsContact O-CB 3.28Å; V981-Y985 WeakPolarHBondContact O-CB 3.49Å; V981-Y985 PolarHBondContact O-N 2.73Å; Y985-I988 HydrophobicContact CD2-CD1 3.68Å; Y985-I988 HydrophobicContact CE2-CD1 4.03Å; Y985-G1053 VanDerWaalsContact CE2-C 3.45Å; Y985-G1053 VanDerWaalsContact CE2-O 3.32Å; Y985-G1053 WeakPolarHBondContact CE2-O 3.43Å; Y985-R1055 HydrophobicContact CE1-CG 4.01Å; Y985-R1055 WeakPolarHBondContact OH-CD 3.42Å; Y985-R1055 WeakPolarHBondContact OH-CG 3.48Å; Y985-D1073 WeakPolarHBondContact CE2-OD2 3.4Å; Y985-D1073 PolarHBondContact OH-OD2 2.93Å |
| 986 | P | 87.3 | Confident | 91.7 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 20% | 0.195 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.4 | 18.9 | 19.3 | 38.5 | -38.2 | 0 | 0 | 0 | 116.6 | I988 T1000 | P986-I988 VanDerWaalsContact C-N 3.26Å; P986-I988 PolarHBondContact O-N 2.9Å; P986-T1000 WeakPolarHBondContact O-CG2 3.45Å |
| 987 | N | 91.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | trans | -75.6 | 70.9 | 179.7 | -69.8 | -15 | 0 | 0 | 0 | 113 | N724 L984 V1026 F1027 D1028 | N724-N987 PolarHBondContact ND2-OD1 3.25Å; L984-N987 WeakPolarHBondContact O-CB 3.34Å; L984-N987 PolarHBondContact O-N 3.24Å; N987-V1026 VanDerWaalsContact O-CA 3.24Å; N987-V1026 WeakPolarHBondContact O-CA 3.02Å; N987-F1027 VanDerWaalsContact C-CE1 3.45Å; N987-F1027 HydrophobicContact CB-CD1 4.05Å; N987-F1027 HydrophobicContact CB-CD2 3.69Å; N987-F1027 HydrophobicContact CB-CE1 3.89Å; N987-F1027 HydrophobicContact CB-CE2 3.47Å; N987-F1027 VanDerWaalsContact CB-CE2 3.47Å; N987-F1027 HydrophobicContact CB-CG 3.96Å; N987-F1027 HydrophobicContact CB-CZ 3.59Å; N987-F1027 WeakPolarHBondContact CB-O 3.49Å; N987-F1027 PolarHBondContact ND2-O 3.03Å; N987-F1027 WeakPolarHBondContact O-CD1 3.43Å; N987-F1027 PolarHBondContact O-N 2.98Å; N987-F1027 VanDerWaalsContact O-N 3.11Å; N987-D1028 PolarHBondContact ND2-O 3.27Å | ||
| 988 | I | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 143.6 | 172.8 | -60.6 | 158.6 | 0 | 0 | 0 | 109.8 | Y985 P986 T1000 F1025 V1026 L1049 G1053 W1075 I1076 | Y985-I988 HydrophobicContact CD2-CD1 3.68Å; Y985-I988 HydrophobicContact CE2-CD1 4.03Å; P986-I988 VanDerWaalsContact C-N 3.26Å; P986-I988 PolarHBondContact O-N 2.9Å; I988-T1000 HydrophobicContact CB-CG2 4.05Å; I988-T1000 PolarHBondContact O-N 3.43Å; I988-F1025 CarbonylContact C-O 3.57Å; I988-F1025 WeakPolarHBondContact CA-O 3.39Å; I988-V1026 HydrophobicContact CG1-CG1 4.05Å; I988-L1049 HydrophobicContact CD1-CD2 3.76Å; I988-L1049 HydrophobicContact CG1-CD2 3.97Å; I988-L1049 HydrophobicContact CG2-CD1 4.15Å; I988-L1049 HydrophobicContact CG2-CD2 4.15Å; I988-G1053 WeakPolarHBondContact CD1-O 3.48Å; I988-W1075 HydrophobicContact CB-CZ2 4.33Å; I988-W1075 HydrophobicContact CG2-CH2 4.47Å; I988-W1075 HydrophobicContact CG2-CZ2 3.91Å; I988-I1076 HydrophobicContact CG2-CD1 4.19Å |
| 989 | C | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.6 | 168.2 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | L997 L998 F1025 F1027 | C989-L997 HydrophobicContact CB-CB 4.17Å; C989-L998 CarbonylContact C-O 3.59Å; C989-L998 WeakPolarHBondContact CA-O 3.37Å; C989-L998 VanDerWaalsContact CB-O 3.24Å; C989-L998 WeakPolarHBondContact CB-O 3.33Å; C989-F1025 PolarHBondContact N-O 3.47Å; C989-F1025 PolarHBondContact O-N 3.37Å; C989-F1027 HydrophobicContact CB-CD1 4.29Å; C989-F1027 HydrophobicContact CB-CE1 4.06Å |
| 990 | F | 93.1 | Very high | 89.9 | Confident | 22 Ų | 22 | 26.1 Ų | 26.1 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.4 | 177 | 176.3 | -90.9 | 0 | 0 | 0 | 110.4 | V246 A247 L997 L998 P1023 F1024 W1075 | V246-F990 HydrophobicContact CG1-CD1 4.1Å; V246-F990 HydrophobicContact CG1-CD2 3.5Å; V246-F990 HydrophobicContact CG1-CE1 4.12Å; V246-F990 HydrophobicContact CG1-CE2 3.5Å; V246-F990 HydrophobicContact CG1-CG 3.8Å; V246-F990 HydrophobicContact CG1-CZ 3.84Å; V246-F990 HydrophobicContact CG2-CG 4.4Å; A247-F990 HydrophobicContact CB-CZ 4.46Å; F990-L997 CarbonylContact O-C 3.59Å; F990-L997 VanDerWaalsContact O-CA 3.27Å; F990-L997 WeakPolarHBondContact O-CA 3.39Å; F990-L998 HydrophobicContact CB-CB 4.5Å; F990-L998 HydrophobicContact CD1-CD1 4.38Å; F990-L998 PolarHBondContact N-O 3.47Å; F990-L998 PolarHBondContact O-N 3.12Å; F990-P1023 CarbonylContact C-O 3.53Å; F990-P1023 WeakPolarHBondContact CA-O 3.06Å; F990-P1023 HydrophobicContact CD2-CB 3.81Å; F990-P1023 HydrophobicContact CD2-CG 3.82Å; F990-P1023 HydrophobicContact CE2-CB 3.55Å; F990-P1023 HydrophobicContact CE2-CG 3.36Å; F990-P1023 HydrophobicContact CZ-CB 4.05Å; F990-P1023 HydrophobicContact CZ-CG 4.16Å; F990-F1024 HydrophobicContact CD2-CD1 4.02Å; F990-F1024 AromaticContact CD2-CE1 3.63Å; F990-F1024 HydrophobicContact CD2-CE1 3.63Å; F990-F1024 HydrophobicContact CD2-CZ 4.23Å; F990-F1024 HydrophobicContact CE2-CE1 4.14Å; F990-F1024 HydrophobicContact CE2-CZ 4.3Å; F990-W1075 HydrophobicContact CB-CH2 4.2Å; F990-W1075 HydrophobicContact CB-CZ3 4.14Å |
| 991 | H | 92.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 26.6 Ų | 26.6 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.8 | 174.7 | 179.8 | -105.1 | 0 | 0 | 0 | 111 | K994 L997 F1020 P1023 F1025 | H991-K994 PolarHBondContact NE2-O 2.88Å; H991-L997 HydrophobicContact CB-CD2 4.3Å; H991-F1020 HydrophobicContact CB-CD2 4.36Å; H991-F1020 AromaticContact CD2-CE2 3.76Å; H991-F1020 AromaticContact CE1-CD2 3.86Å; H991-F1020 AromaticContact CE1-CE2 3.83Å; H991-F1020 AromaticContact CG-CD2 3.84Å; H991-F1020 AromaticContact CG-CE2 3.86Å; H991-F1020 AromaticContact ND1-CD2 3.63Å; H991-F1020 AromaticContact ND1-CE2 3.93Å; H991-F1020 AromaticContact NE2-CE2 3.73Å; H991-P1023 HydrophobicContact CB-CB 4.46Å; H991-P1023 WeakPolarHBondContact CB-O 3.49Å; H991-P1023 PolarHBondContact N-O 3.35Å; H991-F1025 HydrophobicContact CB-CD2 4.3Å; H991-F1025 HydrophobicContact CB-CE2 3.99Å |
| 992 | S | 86.5 | Confident | 87.5 | Confident | 57 Ų | 57 | 27 Ų | 27 | 40% | 0.399 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -50.1 | -175.8 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | K996 | S992-K996 PolarHBondContact N-O 2.78Å; S992-K996 VanDerWaalsContact OG-CB 3.26Å; S992-K996 WeakPolarHBondContact OG-CB 3.41Å; S992-K996 PolarHBondContact OG-O 2.87Å; S992-K996 VanDerWaalsContact OG-O 3.11Å |
| 993 | D | 84 | Confident | 86.8 | Confident | 58 Ų | 58 | 26.4 Ų | 26.4 | 31% | 0.31 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 131.6 | 177.4 | 173.3 | 42.4 | 0 | 0 | 0 | 111.4 | R995 K996 | D993-R995 PolarHBondContact O-N 3.08Å; D993-K996 HydrophobicContact CB-CD 4.36Å; D993-K996 VanDerWaalsContact O-CB 3.29Å; D993-K996 WeakPolarHBondContact O-CB 3.28Å; D993-K996 PolarHBondContact O-N 3.36Å; D993-K996 IonicContact OD2-NZ 3.37Å |
| 994 | K | 86 | Confident | 86.5 | Confident | 104 Ų | 104 | 27.5 Ų | 27.5 | 45% | 0.452 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -96.9 | 177.3 | -62.4 | 154.7 | -170.3 | 80.2 | 0 | 112.4 | H991 K1016 | H991-K994 PolarHBondContact NE2-O 2.88Å; K994-K1016 WeakPolarHBondContact CB-O 3.38Å; K994-K1016 WeakPolarHBondContact CG-O 3.45Å |
| 995 | R | 88 | Confident | 86.4 | Confident | 53 Ų | 53 | 26.9 Ų | 26.9 | 20% | 0.2 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -2.4 | 177 | -76.4 | -178.7 | 62.8 | -123.5 | -1.9 | 114.2 | D993 L1006 I1007 C1014 | D993-R995 PolarHBondContact O-N 3.08Å; R995-L1006 CarbonylContact O-C 3.07Å; R995-L1006 VanDerWaalsContact O-CA 3.26Å; R995-L1006 WeakPolarHBondContact O-CA 3.39Å; R995-I1007 VanDerWaalsContact CZ-O 3.32Å; R995-I1007 PolarHBondContact NE-O 3.3Å; R995-I1007 VanDerWaalsContact NE-O 3.09Å; R995-I1007 PolarHBondContact NH2-O 3.44Å; R995-I1007 PolarHBondContact O-N 2.96Å; R995-C1014 PolarHBondContact NE-SG 2.75Å; R995-C1014 VanDerWaalsContact NE-SG 3.41Å |
| 996 | K | 89.3 | Confident | 86.4 | Confident | 83 Ų | 83 | 27.3 Ų | 27.3 | 36% | 0.361 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.8 | -174.4 | -66.5 | 172.5 | -174.6 | 161.1 | 0 | 111.3 | S992 D993 L1004 L1006 | S992-K996 PolarHBondContact N-O 2.78Å; S992-K996 VanDerWaalsContact OG-CB 3.26Å; S992-K996 WeakPolarHBondContact OG-CB 3.41Å; S992-K996 PolarHBondContact OG-O 2.87Å; S992-K996 VanDerWaalsContact OG-O 3.11Å; D993-K996 HydrophobicContact CB-CD 4.36Å; D993-K996 VanDerWaalsContact O-CB 3.29Å; D993-K996 WeakPolarHBondContact O-CB 3.28Å; D993-K996 PolarHBondContact O-N 3.36Å; D993-K996 IonicContact OD2-NZ 3.37Å; K996-L1004 HydrophobicContact CB-CD1 4.07Å; K996-L1004 HydrophobicContact CD-CD1 4.49Å; K996-L1004 HydrophobicContact CG-CD1 4.29Å; K996-L1006 HydrophobicContact CG-CD2 4.44Å |
| 997 | L | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.2 | 176.4 | -56.1 | 170 | 0 | 0 | 0 | 108.8 | C989 F990 H991 L1004 A1005 I1007 C1038 L1041 | C989-L997 HydrophobicContact CB-CB 4.17Å; F990-L997 CarbonylContact O-C 3.59Å; F990-L997 VanDerWaalsContact O-CA 3.27Å; F990-L997 WeakPolarHBondContact O-CA 3.39Å; H991-L997 HydrophobicContact CB-CD2 4.3Å; L997-L1004 CarbonylContact O-C 3.53Å; L997-L1004 WeakPolarHBondContact O-CA 3.36Å; L997-A1005 HydrophobicContact CB-CB 4.21Å; L997-A1005 PolarHBondContact N-O 2.85Å; L997-A1005 PolarHBondContact O-N 2.91Å; L997-I1007 HydrophobicContact CD1-CG1 3.91Å; L997-I1007 HydrophobicContact CD2-CD1 4.36Å; L997-I1007 HydrophobicContact CD2-CG1 3.8Å; L997-I1007 HydrophobicContact CG-CG1 3.92Å; L997-C1038 HydrophobicContact CD1-CB 3.88Å; L997-L1041 HydrophobicContact CD1-CD2 3.98Å; L997-L1041 HydrophobicContact CD2-CD2 4.35Å |
| 998 | L | 90.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 7% | 0.068 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.6 | 161.7 | -61.9 | 175 | 0 | 0 | 0 | 107.6 | V246 C989 F990 T1003 L1004 W1075 | V246-L998 HydrophobicContact CG2-CD1 4.32Å; C989-L998 CarbonylContact C-O 3.59Å; C989-L998 WeakPolarHBondContact CA-O 3.37Å; C989-L998 VanDerWaalsContact CB-O 3.24Å; C989-L998 WeakPolarHBondContact CB-O 3.33Å; F990-L998 HydrophobicContact CB-CB 4.5Å; F990-L998 HydrophobicContact CD1-CD1 4.38Å; F990-L998 PolarHBondContact N-O 3.47Å; F990-L998 PolarHBondContact O-N 3.12Å; L998-T1003 CarbonylContact C-O 3.55Å; L998-T1003 WeakPolarHBondContact CA-O 3.47Å; L998-L1004 HydrophobicContact CD2-CD1 4.18Å; L998-W1075 HydrophobicContact CB-CZ3 4.34Å |
| 999 | T | 88 | Confident | 86.2 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 175.6 | 174.2 | 78.8 | 0 | 0 | 0 | 0 | 111.1 | E1001 G1002 T1003 A1005 K1030 W1075 | T999-E1001 PolarHBondContact O-N 3Å; T999-E1001 PolarHBondContact OG1-N 3.02Å; T999-E1001 PolarHBondContact OG1-OE2 3.24Å; T999-G1002 WeakPolarHBondContact O-CA 3.38Å; T999-G1002 PolarHBondContact O-N 3.25Å; T999-T1003 PolarHBondContact N-O 3.35Å; T999-T1003 PolarHBondContact OG1-OG1 2.75Å; T999-A1005 HydrophobicContact CG2-CB 3.85Å; T999-K1030 HydrophobicContact CG2-CD 3.99Å; T999-W1075 WeakPolarHBondContact O-CZ3 3.43Å |
| 1000 | T | 75.5 | Confident | 85.9 | Confident | 32 Ų | 32 | 33.3 Ų | 33.3 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -20.2 | 173 | 45.4 | 0 | 0 | 0 | 0 | 115.5 | P986 I988 G1002 W1075 | P986-T1000 WeakPolarHBondContact O-CG2 3.45Å; I988-T1000 HydrophobicContact CB-CG2 4.05Å; I988-T1000 PolarHBondContact O-N 3.43Å; T1000-G1002 VanDerWaalsContact C-N 3.35Å; T1000-W1075 VanDerWaalsContact CA-CE2 3.48Å; T1000-W1075 HydrophobicContact CG2-CZ2 3.71Å |
| 1001 | E | 69.5 | Low | 85.8 | Confident | 11 Ų | 11 | 32.3 Ų | 32.3 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 3 | -179.8 | -45.3 | 170.2 | 146.9 | 0 | 0 | 112.7 | V140 L142 H243 T999 T1003 K1030 | V140-E1001 HydrophobicContact CB-CG 4.4Å; V140-E1001 HydrophobicContact CG1-CB 4.01Å; V140-E1001 HydrophobicContact CG1-CG 3.74Å; V140-E1001 WeakPolarHBondContact CG1-OE1 3.43Å; V140-E1001 HydrophobicContact CG2-CB 3.97Å; V140-E1001 HydrophobicContact CG2-CG 4.27Å; L142-E1001 HydrophobicContact CD2-CG 4.37Å; H243-E1001 PolarHBondContact CE1-O 2.84Å; H243-E1001 PolarHBondContact ND1-O 3.14Å; T999-E1001 PolarHBondContact O-N 3Å; T999-E1001 PolarHBondContact OG1-N 3.02Å; T999-E1001 PolarHBondContact OG1-OE2 3.24Å; E1001-T1003 HydrophobicContact CB-CG2 3.64Å; E1001-T1003 PolarHBondContact O-N 3.32Å; E1001-T1003 VanDerWaalsContact O-N 3.14Å; E1001-T1003 PolarHBondContact OE2-OG1 3.35Å; E1001-K1030 IonicContact OE1-NZ 3.23Å; E1001-K1030 PolarHBondContact OE1-NZ 3.32Å; E1001-K1030 IonicContact OE2-NZ 2.7Å; E1001-K1030 PolarHBondContact OE2-NZ 3.43Å |
| 1002 | G | 71.5 | Confident | 85.8 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 9% | 0.093 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 62 | 13.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T999 T1000 | T999-G1002 WeakPolarHBondContact O-CA 3.38Å; T999-G1002 PolarHBondContact O-N 3.25Å; T1000-G1002 VanDerWaalsContact C-N 3.35Å |
| 1003 | T | 77.5 | Confident | 86.1 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | trans | -88 | 145.2 | -176.5 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | A137 V140 L998 T999 E1001 | A137-T1003 HydrophobicContact CB-CG2 4.17Å; V140-T1003 HydrophobicContact CG2-CG2 3.76Å; L998-T1003 CarbonylContact C-O 3.55Å; L998-T1003 WeakPolarHBondContact CA-O 3.47Å; T999-T1003 PolarHBondContact N-O 3.35Å; T999-T1003 PolarHBondContact OG1-OG1 2.75Å; E1001-T1003 HydrophobicContact CB-CG2 3.64Å; E1001-T1003 PolarHBondContact O-N 3.32Å; E1001-T1003 VanDerWaalsContact O-N 3.14Å; E1001-T1003 PolarHBondContact OE2-OG1 3.35Å | ||
| 1004 | L | 85.9 | Confident | 86.4 | Confident | 25 Ų | 25 | 26.3 Ų | 26.3 | 13% | 0.131 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.8 | -178.6 | -166 | 83.8 | 0 | 0 | 0 | 111.4 | Y129 K133 K996 L997 L998 | Y129-L1004 HydrophobicContact CE1-CD2 4.49Å; K133-L1004 HydrophobicContact CB-CB 4.41Å; K133-L1004 HydrophobicContact CD-CB 3.75Å; K133-L1004 HydrophobicContact CD-CD2 3.59Å; K133-L1004 HydrophobicContact CD-CG 4.27Å; K996-L1004 HydrophobicContact CB-CD1 4.07Å; K996-L1004 HydrophobicContact CD-CD1 4.49Å; K996-L1004 HydrophobicContact CG-CD1 4.29Å; L997-L1004 CarbonylContact O-C 3.53Å; L997-L1004 WeakPolarHBondContact O-CA 3.36Å; L998-L1004 HydrophobicContact CD2-CD1 4.18Å |
| 1005 | A | 89.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 173.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L997 T999 V1036 | L997-A1005 HydrophobicContact CB-CB 4.21Å; L997-A1005 PolarHBondContact N-O 2.85Å; L997-A1005 PolarHBondContact O-N 2.91Å; T999-A1005 HydrophobicContact CG2-CB 3.85Å; A1005-V1036 HydrophobicContact CB-CB 4.21Å; A1005-V1036 HydrophobicContact CB-CG1 3.83Å |
| 1006 | L | 91.2 | Very high | 85.4 | Confident | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.5 | 176.3 | -59.8 | 175.9 | 0 | 0 | 0 | 112.1 | R995 K996 H1008 A1035 V1036 S1037 C1038 | R995-L1006 CarbonylContact O-C 3.07Å; R995-L1006 VanDerWaalsContact O-CA 3.26Å; R995-L1006 WeakPolarHBondContact O-CA 3.39Å; K996-L1006 HydrophobicContact CG-CD2 4.44Å; L1006-H1008 PolarHBondContact O-N 3.01Å; L1006-A1035 HydrophobicContact CD1-CB 3.91Å; L1006-V1036 PolarHBondContact N-O 3.45Å; L1006-S1037 CarbonylContact O-C 3.52Å; L1006-S1037 WeakPolarHBondContact O-CA 3.3Å; L1006-S1037 WeakPolarHBondContact O-CB 3.47Å; L1006-C1038 PolarHBondContact O-N 3.34Å |
| 1007 | I | 92 | Very high | 84.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 122 | 168.3 | -59.1 | 176.9 | 0 | 0 | 0 | 109 | R995 L997 N1013 C1014 F1020 L1041 | R995-I1007 VanDerWaalsContact CZ-O 3.32Å; R995-I1007 PolarHBondContact NE-O 3.3Å; R995-I1007 VanDerWaalsContact NE-O 3.09Å; R995-I1007 PolarHBondContact NH2-O 3.44Å; R995-I1007 PolarHBondContact O-N 2.96Å; L997-I1007 HydrophobicContact CD1-CG1 3.91Å; L997-I1007 HydrophobicContact CD2-CD1 4.36Å; L997-I1007 HydrophobicContact CD2-CG1 3.8Å; L997-I1007 HydrophobicContact CG-CG1 3.92Å; I1007-N1013 HydrophobicContact CG2-CB 4.28Å; I1007-C1014 HydrophobicContact CG2-CB 3.91Å; I1007-F1020 HydrophobicContact CD1-CE2 4.48Å; I1007-F1020 HydrophobicContact CD1-CZ 4.47Å; I1007-L1041 HydrophobicContact CG1-CD2 4.02Å; I1007-L1041 HydrophobicContact CG2-CD1 4.22Å; I1007-L1041 HydrophobicContact CG2-CD2 4.35Å |
| 1008 | H | 89.6 | Confident | 83.6 | Confident | 48 Ų | 48 | 31.4 Ų | 31.4 | 22% | 0.222 | 16% | 0.156 | C | C | . | . | trans | -61.2 | 153.2 | -178.7 | -175.1 | -107.3 | 0 | 0 | 0 | 112.7 | L1006 S1010 S1011 C1038 K1039 | L1006-H1008 PolarHBondContact O-N 3.01Å; H1008-S1010 VanDerWaalsContact C-N 3.28Å; H1008-S1010 PolarHBondContact CE1-OG 3.18Å; H1008-S1010 PolarHBondContact ND1-N 3.48Å; H1008-S1010 PolarHBondContact ND1-OG 2.83Å; H1008-S1010 PolarHBondContact O-N 2.81Å; H1008-S1011 WeakPolarHBondContact O-CB 3.46Å; H1008-S1011 PolarHBondContact O-N 3.39Å; H1008-S1011 VanDerWaalsContact O-N 3.15Å; H1008-C1038 WeakPolarHBondContact CB-O 3.48Å; H1008-C1038 PolarHBondContact N-O 2.98Å; H1008-K1039 HydrophobicContact CB-CB 4.19Å; H1008-K1039 HydrophobicContact CB-CG 4.22Å | ||
| 1009 | K | 86.4 | Confident | 83 | Confident | 117 Ų | 117 | 38 Ų | 38 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -25.6 | -173.8 | -68.7 | 174.6 | -173.1 | 166.1 | 0 | 114 | R882 S1011 | R882-K1009 WeakPolarHBondContact CA-O 3.4Å; K1009-S1011 VanDerWaalsContact C-N 3.35Å |
| 1010 | S | 87.3 | Confident | 83 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.2 | 175.8 | 68 | 0 | 0 | 0 | 0 | 114 | L883 H1008 | L883-S1010 WeakPolarHBondContact CD1-O 3.24Å; L883-S1010 WeakPolarHBondContact CG-O 3.38Å; H1008-S1010 VanDerWaalsContact C-N 3.28Å; H1008-S1010 PolarHBondContact CE1-OG 3.18Å; H1008-S1010 PolarHBondContact ND1-N 3.48Å; H1008-S1010 PolarHBondContact ND1-OG 2.83Å; H1008-S1010 PolarHBondContact O-N 2.81Å |
| 1011 | S | 91.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | trans | -75.3 | 139.9 | -175.4 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | D897 H1008 K1009 N1013 C1014 | D897-S1011 VanDerWaalsContact CG-OG 3.22Å; D897-S1011 WeakPolarHBondContact OD1-CA 3.4Å; D897-S1011 PolarHBondContact OD1-OG 2.9Å; D897-S1011 VanDerWaalsContact OD1-OG 3.07Å; D897-S1011 WeakPolarHBondContact OD2-CB 3.48Å; D897-S1011 PolarHBondContact OD2-OG 3.49Å; H1008-S1011 WeakPolarHBondContact O-CB 3.46Å; H1008-S1011 PolarHBondContact O-N 3.39Å; H1008-S1011 VanDerWaalsContact O-N 3.15Å; K1009-S1011 VanDerWaalsContact C-N 3.35Å; S1011-N1013 PolarHBondContact O-N 2.89Å; S1011-N1013 VanDerWaalsContact O-N 3.17Å; S1011-N1013 PolarHBondContact OG-N 3.02Å; S1011-C1014 WeakPolarHBondContact O-CB 3.4Å; S1011-C1014 PolarHBondContact O-N 3.02Å | ||
| 1012 | V | 92.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.2 | 169.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | F874 L883 R888 A891 D897 A900 C1014 | F874-V1012 HydrophobicContact CE2-CG1 4.46Å; F874-V1012 HydrophobicContact CZ-CG1 4.39Å; L883-V1012 HydrophobicContact CD1-CG1 3.92Å; R888-V1012 HydrophobicContact CG-CB 4.27Å; R888-V1012 HydrophobicContact CG-CG1 4.47Å; R888-V1012 VanDerWaalsContact CZ-O 3.25Å; R888-V1012 PolarHBondContact NE-O 2.86Å; R888-V1012 PolarHBondContact NH2-O 3.11Å; A891-V1012 HydrophobicContact CB-CB 4.31Å; A891-V1012 HydrophobicContact CB-CG2 3.88Å; D897-V1012 WeakPolarHBondContact OD1-CG2 3.24Å; D897-V1012 PolarHBondContact OD1-N 2.94Å; A900-V1012 HydrophobicContact CB-CG1 3.93Å; V1012-C1014 VanDerWaalsContact C-N 3.26Å; V1012-C1014 PolarHBondContact O-N 3.02Å |
| 1013 | N | 93.1 | Very high | 85.4 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.6 | 178.7 | -64.9 | -37.5 | 0 | 0 | 0 | 113.8 | S895 I1007 S1011 M1015 I1018 F1020 L1041 | S895-N1013 VanDerWaalsContact CA-OD1 3.29Å; S895-N1013 WeakPolarHBondContact CA-OD1 3.5Å; S895-N1013 WeakPolarHBondContact CB-OD1 3.46Å; S895-N1013 PolarHBondContact O-ND2 3.19Å; S895-N1013 PolarHBondContact O-OD1 2.95Å; I1007-N1013 HydrophobicContact CG2-CB 4.28Å; S1011-N1013 PolarHBondContact O-N 2.89Å; S1011-N1013 VanDerWaalsContact O-N 3.17Å; S1011-N1013 PolarHBondContact OG-N 3.02Å; N1013-M1015 PolarHBondContact O-N 2.73Å; N1013-I1018 WeakPolarHBondContact O-CD1 3.38Å; N1013-F1020 HydrophobicContact CB-CE1 4.21Å; N1013-F1020 HydrophobicContact CB-CZ 3.97Å; N1013-L1041 PolarHBondContact ND2-O 3.35Å; N1013-L1041 VanDerWaalsContact ND2-O 3.15Å |
| 1014 | C | 90 | Very high | 86.3 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | trans | -91.7 | 65.1 | -174.7 | -164.2 | 0 | 0 | 0 | 0 | 113.9 | R882 R995 I1007 S1011 V1012 | R882-C1014 WeakPolarHBondContact CD-O 3.33Å; R882-C1014 PolarHBondContact NH1-O 2.67Å; R995-C1014 PolarHBondContact NE-SG 2.75Å; R995-C1014 VanDerWaalsContact NE-SG 3.41Å; I1007-C1014 HydrophobicContact CG2-CB 3.91Å; S1011-C1014 WeakPolarHBondContact O-CB 3.4Å; S1011-C1014 PolarHBondContact O-N 3.02Å; V1012-C1014 VanDerWaalsContact C-N 3.26Å; V1012-C1014 PolarHBondContact O-N 3.02Å | ||
| 1015 | M | 81.6 | Confident | 86.7 | Confident | 40 Ų | 40 | 42 Ų | 42 | 20% | 0.197 | 20% | 0.2 | C | C | . | . | trans | -91.2 | -179.5 | 171.1 | -41.2 | -155.9 | -117.9 | 0 | 0 | 113.4 | R882 R888 N1013 I1018 F1144 | R882-M1015 PolarHBondContact NH1-O 3.41Å; R888-M1015 PolarHBondContact NH1-SD 3.15Å; R888-M1015 VanDerWaalsContact NH1-SD 3.35Å; R888-M1015 PolarHBondContact NH2-SD 3.46Å; N1013-M1015 PolarHBondContact O-N 2.73Å; M1015-I1018 HydrophobicContact CB-CD1 3.73Å; M1015-I1018 HydrophobicContact CB-CG1 3.54Å; M1015-I1018 HydrophobicContact CE-CG1 4.12Å; M1015-I1018 HydrophobicContact CE-CG2 4.26Å; M1015-I1018 HydrophobicContact CG-CD1 3.8Å; M1015-I1018 HydrophobicContact CG-CG1 3.83Å; M1015-F1144 HydrophobicContact CE-CE2 3.8Å; M1015-F1144 HydrophobicContact CE-CZ 3.79Å; M1015-F1144 HydrophobicContact SD-CE2 4.46Å; M1015-F1144 HydrophobicContact SD-CZ 3.86Å | ||
| 1016 | K | 71.2 | Confident | 87.1 | Confident | 152 Ų | 152 | 41.9 Ų | 41.9 | 66% | 0.661 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -78.3 | -54.3 | 169.2 | -75 | -179 | 176.7 | 177.2 | 0 | 109.4 | K994 | K994-K1016 WeakPolarHBondContact CB-O 3.38Å; K994-K1016 WeakPolarHBondContact CG-O 3.45Å |
| 1017 | D | 69.8 | Low | 87.2 | Confident | 123 Ų | 123 | 40.8 Ų | 40.8 | 66% | 0.658 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -124.4 | 124.9 | -171.7 | -47.3 | -73.9 | 0 | 0 | 0 | 107.8 | ||
| 1018 | I | 72.1 | Confident | 87.1 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | trans | -147.4 | 135.3 | -177.3 | -43.9 | 174.1 | 0 | 0 | 0 | 109.1 | N1013 M1015 F1020 | N1013-I1018 WeakPolarHBondContact O-CD1 3.38Å; M1015-I1018 HydrophobicContact CB-CD1 3.73Å; M1015-I1018 HydrophobicContact CB-CG1 3.54Å; M1015-I1018 HydrophobicContact CE-CG1 4.12Å; M1015-I1018 HydrophobicContact CE-CG2 4.26Å; M1015-I1018 HydrophobicContact CG-CD1 3.8Å; M1015-I1018 HydrophobicContact CG-CG1 3.83Å; I1018-F1020 HydrophobicContact CB-CD2 4.48Å; I1018-F1020 HydrophobicContact CB-CE2 4.16Å; I1018-F1020 HydrophobicContact CB-CZ 4.26Å; I1018-F1020 HydrophobicContact CD1-CE1 4.12Å; I1018-F1020 HydrophobicContact CD1-CE2 3.88Å; I1018-F1020 HydrophobicContact CD1-CZ 3.41Å; I1018-F1020 VanDerWaalsContact CD1-CZ 3.41Å; I1018-F1020 HydrophobicContact CG1-CZ 4.42Å; I1018-F1020 HydrophobicContact CG2-CD1 3.74Å; I1018-F1020 HydrophobicContact CG2-CD2 3.98Å; I1018-F1020 HydrophobicContact CG2-CE1 3.66Å; I1018-F1020 HydrophobicContact CG2-CE2 3.89Å; I1018-F1020 HydrophobicContact CG2-CG 3.92Å; I1018-F1020 HydrophobicContact CG2-CZ 3.74Å | ||
| 1019 | K | 77.7 | Confident | 87 | Confident | 153 Ų | 153 | 42.3 Ų | 42.3 | 67% | 0.665 | 20% | 0.202 | S | C | * | . | trans | -103.8 | 122.2 | 150.7 | -63.8 | -179.5 | -176 | 176 | 0 | 107 | D1139 N1142 | K1019-D1139 IonicContact NZ-OD2 3.97Å; K1019-D1139 PolarHBondContact NZ-OD2 2.87Å; K1019-N1142 PolarHBondContact O-ND2 3.42Å | ||
| 1020 | F | 87.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 37.1 Ų | 37.1 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | trans | -93 | 152.7 | 169.6 | -64.9 | -71.6 | 0 | 0 | 0 | 109.4 | H991 I1007 N1013 I1018 Y1022 F1025 M1043 | H991-F1020 HydrophobicContact CB-CD2 4.36Å; H991-F1020 AromaticContact CD2-CE2 3.76Å; H991-F1020 AromaticContact CE1-CD2 3.86Å; H991-F1020 AromaticContact CE1-CE2 3.83Å; H991-F1020 AromaticContact CG-CD2 3.84Å; H991-F1020 AromaticContact CG-CE2 3.86Å; H991-F1020 AromaticContact ND1-CD2 3.63Å; H991-F1020 AromaticContact ND1-CE2 3.93Å; H991-F1020 AromaticContact NE2-CE2 3.73Å; I1007-F1020 HydrophobicContact CD1-CE2 4.48Å; I1007-F1020 HydrophobicContact CD1-CZ 4.47Å; N1013-F1020 HydrophobicContact CB-CE1 4.21Å; N1013-F1020 HydrophobicContact CB-CZ 3.97Å; I1018-F1020 HydrophobicContact CB-CD2 4.48Å; I1018-F1020 HydrophobicContact CB-CE2 4.16Å; I1018-F1020 HydrophobicContact CB-CZ 4.26Å; I1018-F1020 HydrophobicContact CD1-CE1 4.12Å; I1018-F1020 HydrophobicContact CD1-CE2 3.88Å; I1018-F1020 HydrophobicContact CD1-CZ 3.41Å; I1018-F1020 VanDerWaalsContact CD1-CZ 3.41Å; I1018-F1020 HydrophobicContact CG1-CZ 4.42Å; I1018-F1020 HydrophobicContact CG2-CD1 3.74Å; I1018-F1020 HydrophobicContact CG2-CD2 3.98Å; I1018-F1020 HydrophobicContact CG2-CE1 3.66Å; I1018-F1020 HydrophobicContact CG2-CE2 3.89Å; I1018-F1020 HydrophobicContact CG2-CG 3.92Å; I1018-F1020 HydrophobicContact CG2-CZ 3.74Å; F1020-Y1022 VanDerWaalsContact C-N 3.28Å; F1020-Y1022 WeakPolarHBondContact CB-O 3.47Å; F1020-Y1022 PolarHBondContact O-N 3.38Å; F1020-F1025 HydrophobicContact CB-CZ 4.39Å; F1020-F1025 AromaticContact CD1-CZ 3.64Å; F1020-F1025 HydrophobicContact CD1-CZ 3.64Å; F1020-F1025 AromaticContact CD2-CE2 3.86Å; F1020-F1025 HydrophobicContact CD2-CE2 3.86Å; F1020-F1025 AromaticContact CD2-CZ 3.75Å; F1020-F1025 HydrophobicContact CD2-CZ 3.75Å; F1020-F1025 HydrophobicContact CE1-CE1 4.27Å; F1020-F1025 AromaticContact CE1-CZ 3.64Å; F1020-F1025 HydrophobicContact CE1-CZ 3.64Å; F1020-F1025 HydrophobicContact CE2-CE2 4.03Å; F1020-F1025 AromaticContact CE2-CZ 3.76Å; F1020-F1025 HydrophobicContact CE2-CZ 3.76Å; F1020-F1025 HydrophobicContact CG-CE2 4.11Å; F1020-F1025 AromaticContact CG-CZ 3.68Å; F1020-F1025 HydrophobicContact CG-CZ 3.68Å; F1020-F1025 HydrophobicContact CZ-CE1 4.42Å; F1020-F1025 HydrophobicContact CZ-CE2 4.41Å; F1020-F1025 AromaticContact CZ-CZ 3.7Å; F1020-F1025 HydrophobicContact CZ-CZ 3.7Å; F1020-M1043 HydrophobicContact CB-SD 4.01Å; F1020-M1043 HydrophobicContact CD1-SD 4.46Å | ||
| 1021 | N | 85.8 | Confident | 87 | Confident | 81 Ų | 81 | 37.6 Ų | 37.6 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -64.7 | -37 | 178.2 | -62.3 | 1.7 | 0 | 0 | 0 | 111.2 | M1043 | N1021-M1043 HydrophobicContact CB-CE 4.12Å; N1021-M1043 HydrophobicContact CB-SD 4.15Å |
| 1022 | Y | 90.5 | Very high | 86.4 | Confident | 37 Ų | 37 | 39 Ų | 39 | 15% | 0.145 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -131 | 142.1 | 173.2 | -51.7 | -73.9 | 0 | 0 | 0 | 109 | F1020 F1024 M1043 V1044 H1045 P1046 L1132 | F1020-Y1022 VanDerWaalsContact C-N 3.28Å; F1020-Y1022 WeakPolarHBondContact CB-O 3.47Å; F1020-Y1022 PolarHBondContact O-N 3.38Å; Y1022-F1024 PolarHBondContact O-N 2.86Å; Y1022-M1043 HydrophobicContact CD2-CE 4.39Å; Y1022-M1043 HydrophobicContact CD2-SD 4.44Å; Y1022-V1044 WeakPolarHBondContact CB-O 3.15Å; Y1022-H1045 AromaticContact CE1-CD2 3.72Å; Y1022-H1045 AromaticContact CE2-CD2 3.84Å; Y1022-H1045 AromaticContact CZ-CD2 3.47Å; Y1022-H1045 VanDerWaalsContact CZ-CD2 3.47Å; Y1022-P1046 HydrophobicContact CD1-CG 4.31Å; Y1022-L1132 HydrophobicContact CE1-CD1 4.49Å |
| 1023 | P | 92.1 | Very high | 85.5 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -78.4 | -3.1 | 179.4 | 32.5 | -36.1 | 0 | 0 | 0 | 113.1 | F990 H991 F1025 | F990-P1023 CarbonylContact C-O 3.53Å; F990-P1023 WeakPolarHBondContact CA-O 3.06Å; F990-P1023 HydrophobicContact CD2-CB 3.81Å; F990-P1023 HydrophobicContact CD2-CG 3.82Å; F990-P1023 HydrophobicContact CE2-CB 3.55Å; F990-P1023 HydrophobicContact CE2-CG 3.36Å; F990-P1023 HydrophobicContact CZ-CB 4.05Å; F990-P1023 HydrophobicContact CZ-CG 4.16Å; H991-P1023 HydrophobicContact CB-CB 4.46Å; H991-P1023 WeakPolarHBondContact CB-O 3.49Å; H991-P1023 PolarHBondContact N-O 3.35Å; P1023-F1025 WeakPolarHBondContact O-CD2 3.1Å |
| 1024 | F | 94.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.8 | -172.1 | -51.4 | -76.1 | 0 | 0 | 0 | 112.1 | H249 F990 Y1022 M1043 V1044 P1046 L1049 I1076 F1078 | H249-F1024 HydrophobicContact CB-CE2 4.38Å; H249-F1024 HydrophobicContact CB-CZ 4.06Å; H249-F1024 AromaticContact CD2-CE2 3.76Å; H249-F1024 AromaticContact CG-CE2 3.97Å; F990-F1024 HydrophobicContact CD2-CD1 4.02Å; F990-F1024 AromaticContact CD2-CE1 3.63Å; F990-F1024 HydrophobicContact CD2-CE1 3.63Å; F990-F1024 HydrophobicContact CD2-CZ 4.23Å; F990-F1024 HydrophobicContact CE2-CE1 4.14Å; F990-F1024 HydrophobicContact CE2-CZ 4.3Å; Y1022-F1024 PolarHBondContact O-N 2.86Å; F1024-M1043 WeakPolarHBondContact O-CA 3.43Å; F1024-V1044 HydrophobicContact CB-CG2 3.88Å; F1024-V1044 PolarHBondContact O-N 3.05Å; F1024-P1046 HydrophobicContact CD2-CG 4.27Å; F1024-P1046 HydrophobicContact CE2-CG 4.03Å; F1024-L1049 HydrophobicContact CB-CD1 3.83Å; F1024-L1049 HydrophobicContact CD1-CD1 3.75Å; F1024-L1049 HydrophobicContact CG-CD1 3.82Å; F1024-I1076 HydrophobicContact CD1-CD1 4.09Å; F1024-I1076 HydrophobicContact CE1-CD1 4.15Å; F1024-I1076 HydrophobicContact CE1-CG1 4.27Å; F1024-I1076 HydrophobicContact CE1-CG2 3.66Å; F1024-I1076 HydrophobicContact CZ-CG2 4.18Å; F1024-F1078 HydrophobicContact CE1-CE1 4.13Å; F1024-F1078 HydrophobicContact CE1-CZ 4.5Å; F1024-F1078 AromaticContact CE2-CE1 3.85Å; F1024-F1078 HydrophobicContact CE2-CE1 3.85Å; F1024-F1078 HydrophobicContact CZ-CD1 4.44Å; F1024-F1078 AromaticContact CZ-CE1 3.56Å; F1024-F1078 HydrophobicContact CZ-CE1 3.56Å; F1024-F1078 HydrophobicContact CZ-CZ 4.31Å |
| 1025 | F | 96.1 | Very high | 84 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.8 | 179.5 | -70.9 | -95.1 | 0 | 0 | 0 | 111.9 | I988 C989 H991 F1020 P1023 L1041 T1042 M1043 | I988-F1025 CarbonylContact C-O 3.57Å; I988-F1025 WeakPolarHBondContact CA-O 3.39Å; C989-F1025 PolarHBondContact N-O 3.47Å; C989-F1025 PolarHBondContact O-N 3.37Å; H991-F1025 HydrophobicContact CB-CD2 4.3Å; H991-F1025 HydrophobicContact CB-CE2 3.99Å; F1020-F1025 HydrophobicContact CB-CZ 4.39Å; F1020-F1025 AromaticContact CD1-CZ 3.64Å; F1020-F1025 HydrophobicContact CD1-CZ 3.64Å; F1020-F1025 AromaticContact CD2-CE2 3.86Å; F1020-F1025 HydrophobicContact CD2-CE2 3.86Å; F1020-F1025 AromaticContact CD2-CZ 3.75Å; F1020-F1025 HydrophobicContact CD2-CZ 3.75Å; F1020-F1025 HydrophobicContact CE1-CE1 4.27Å; F1020-F1025 AromaticContact CE1-CZ 3.64Å; F1020-F1025 HydrophobicContact CE1-CZ 3.64Å; F1020-F1025 HydrophobicContact CE2-CE2 4.03Å; F1020-F1025 AromaticContact CE2-CZ 3.76Å; F1020-F1025 HydrophobicContact CE2-CZ 3.76Å; F1020-F1025 HydrophobicContact CG-CE2 4.11Å; F1020-F1025 AromaticContact CG-CZ 3.68Å; F1020-F1025 HydrophobicContact CG-CZ 3.68Å; F1020-F1025 HydrophobicContact CZ-CE1 4.42Å; F1020-F1025 HydrophobicContact CZ-CE2 4.41Å; F1020-F1025 AromaticContact CZ-CZ 3.7Å; F1020-F1025 HydrophobicContact CZ-CZ 3.7Å; P1023-F1025 WeakPolarHBondContact O-CD2 3.1Å; F1025-L1041 HydrophobicContact CB-CD2 4.25Å; F1025-L1041 HydrophobicContact CD1-CB 3.95Å; F1025-L1041 HydrophobicContact CD1-CD2 4.1Å; F1025-L1041 HydrophobicContact CG-CD2 4.18Å; F1025-T1042 CarbonylContact C-O 3.59Å; F1025-T1042 WeakPolarHBondContact CA-O 3.4Å; F1025-T1042 VanDerWaalsContact CD1-C 3.49Å; F1025-M1043 HydrophobicContact CD1-CB 4.08Å; F1025-M1043 VanDerWaalsContact CD1-N 3.34Å; F1025-M1043 HydrophobicContact CE1-CB 3.57Å; F1025-M1043 HydrophobicContact CE1-CG 4.26Å; F1025-M1043 HydrophobicContact CZ-CB 3.93Å; F1025-M1043 HydrophobicContact CZ-CG 4.11Å |
| 1026 | V | 96 | Very high | 84.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 155.3 | 162.4 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | L980 V981 L984 N987 I988 L1041 T1042 V1044 | L980-V1026 HydrophobicContact CB-CG2 4.28Å; V981-V1026 HydrophobicContact CB-CG1 4.37Å; V981-V1026 HydrophobicContact CG1-CG1 4.33Å; V981-V1026 HydrophobicContact CG2-CG1 3.98Å; L984-V1026 HydrophobicContact CB-CB 4.39Å; L984-V1026 HydrophobicContact CD1-CB 4.31Å; L984-V1026 HydrophobicContact CD1-CG2 4.07Å; N987-V1026 VanDerWaalsContact O-CA 3.24Å; N987-V1026 WeakPolarHBondContact O-CA 3.02Å; I988-V1026 HydrophobicContact CG1-CG1 4.05Å; V1026-L1041 WeakPolarHBondContact O-CA 3.36Å; V1026-T1042 PolarHBondContact N-O 2.68Å; V1026-T1042 PolarHBondContact O-N 2.95Å; V1026-V1044 HydrophobicContact CG1-CG1 4.3Å; V1026-V1044 HydrophobicContact CG1-CG2 4.28Å; V1026-V1044 HydrophobicContact CG2-CG1 3.9Å |
| 1027 | F | 94.1 | Very high | 85.1 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | trans | -147.4 | 154.4 | -174 | 65.6 | -97.5 | 0 | 0 | 0 | 116 | N987 C989 K1030 C1038 K1039 G1040 L1041 | N987-F1027 VanDerWaalsContact C-CE1 3.45Å; N987-F1027 HydrophobicContact CB-CD1 4.05Å; N987-F1027 HydrophobicContact CB-CD2 3.69Å; N987-F1027 HydrophobicContact CB-CE1 3.89Å; N987-F1027 HydrophobicContact CB-CE2 3.47Å; N987-F1027 VanDerWaalsContact CB-CE2 3.47Å; N987-F1027 HydrophobicContact CB-CG 3.96Å; N987-F1027 HydrophobicContact CB-CZ 3.59Å; N987-F1027 WeakPolarHBondContact CB-O 3.49Å; N987-F1027 PolarHBondContact ND2-O 3.03Å; N987-F1027 WeakPolarHBondContact O-CD1 3.43Å; N987-F1027 PolarHBondContact O-N 2.98Å; N987-F1027 VanDerWaalsContact O-N 3.11Å; C989-F1027 HydrophobicContact CB-CD1 4.29Å; C989-F1027 HydrophobicContact CB-CE1 4.06Å; F1027-K1030 HydrophobicContact CE2-CB 3.79Å; F1027-K1030 HydrophobicContact CE2-CG 4.44Å; F1027-K1030 HydrophobicContact CZ-CB 4.27Å; F1027-K1030 HydrophobicContact CZ-CD 4.48Å; F1027-C1038 HydrophobicContact CB-CB 4.03Å; F1027-C1038 HydrophobicContact CD1-CB 3.97Å; F1027-C1038 HydrophobicContact CD2-CB 3.97Å; F1027-C1038 HydrophobicContact CE1-CB 4.45Å; F1027-C1038 HydrophobicContact CE2-CB 4.48Å; F1027-C1038 HydrophobicContact CG-CB 3.71Å; F1027-K1039 WeakPolarHBondContact CB-O 3.09Å; F1027-G1040 WeakPolarHBondContact CA-O 3.37Å; F1027-L1041 HydrophobicContact CB-CG 4.39Å | ||
| 1028 | D | 90.2 | Very high | 86.1 | Confident | 38 Ų | 38 | 33.6 Ų | 33.6 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -66.7 | -62.8 | 177.3 | -74.8 | -45.9 | 0 | 0 | 0 | 112.7 | A867 H898 N987 K1039 G1040 | A867-D1028 WeakPolarHBondContact CB-OD1 3.36Å; H898-D1028 IonicContact NE2-OD1 3.42Å; H898-D1028 PolarHBondContact NE2-OD1 3.37Å; H898-D1028 IonicContact NE2-OD2 3.62Å; N987-D1028 PolarHBondContact ND2-O 3.27Å; D1028-K1039 WeakPolarHBondContact CB-O 3.34Å; D1028-K1039 PolarHBondContact N-O 2.94Å; D1028-G1040 WeakPolarHBondContact OD2-CA 3.24Å |
| 1029 | E | 86.8 | Confident | 87 | Confident | 42 Ų | 42 | 33.8 Ų | 33.8 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.2 | -169.5 | -66 | -163.5 | 151.9 | 0 | 0 | 111.7 | K717 Y728 I1031 C1038 K1039 | K717-E1029 VanDerWaalsContact CE-OE1 3.31Å; K717-E1029 WeakPolarHBondContact CE-OE1 3.33Å; K717-E1029 IonicContact NZ-OE1 3.26Å; K717-E1029 PolarHBondContact NZ-OE1 3.26Å; Y728-E1029 PolarHBondContact OH-OE2 3.08Å; E1029-I1031 HydrophobicContact CB-CD1 4.13Å; E1029-I1031 HydrophobicContact CB-CG1 3.66Å; E1029-I1031 PolarHBondContact O-N 3.1Å; E1029-C1038 WeakPolarHBondContact O-CA 3.12Å; E1029-K1039 PolarHBondContact N-O 3.46Å; E1029-K1039 PolarHBondContact O-N 2.68Å |
| 1030 | K | 88.9 | Confident | 87.7 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 97.2 | 163.9 | -157.8 | 170.5 | 61.8 | -178.1 | 0 | 108.6 | N723 L725 T726 T999 E1001 F1027 V1036 | N723-K1030 WeakPolarHBondContact O-CE 3.4Å; N723-K1030 PolarHBondContact O-NZ 2.85Å; L725-K1030 HydrophobicContact CD2-CB 4.23Å; L725-K1030 HydrophobicContact CD2-CD 4.12Å; L725-K1030 HydrophobicContact CD2-CG 3.78Å; T726-K1030 PolarHBondContact N-O 2.88Å; T999-K1030 HydrophobicContact CG2-CD 3.99Å; E1001-K1030 IonicContact OE1-NZ 3.23Å; E1001-K1030 PolarHBondContact OE1-NZ 3.32Å; E1001-K1030 IonicContact OE2-NZ 2.7Å; E1001-K1030 PolarHBondContact OE2-NZ 3.43Å; F1027-K1030 HydrophobicContact CE2-CB 3.79Å; F1027-K1030 HydrophobicContact CE2-CG 4.44Å; F1027-K1030 HydrophobicContact CZ-CB 4.27Å; F1027-K1030 HydrophobicContact CZ-CD 4.48Å; K1030-V1036 HydrophobicContact CD-CG1 4.08Å; K1030-V1036 HydrophobicContact CG-CG1 3.52Å |
| 1031 | I | 84.5 | Confident | 88 | Confident | 17 Ų | 17 | 25.4 Ų | 25.4 | 9% | 0.087 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.4 | -171.8 | -52.7 | 178.9 | 0 | 0 | 0 | 111 | T726 Y728 E1029 T1033 V1036 S1037 K1039 | T726-I1031 CarbonylContact O-C 3.58Å; T726-I1031 WeakPolarHBondContact O-CA 3.44Å; Y728-I1031 HydrophobicContact CD2-CG2 4.16Å; Y728-I1031 HydrophobicContact CE2-CG2 4.24Å; E1029-I1031 HydrophobicContact CB-CD1 4.13Å; E1029-I1031 HydrophobicContact CB-CG1 3.66Å; E1029-I1031 PolarHBondContact O-N 3.1Å; I1031-T1033 HydrophobicContact CG2-CG2 4.16Å; I1031-V1036 CarbonylContact O-C 3.58Å; I1031-S1037 PolarHBondContact N-O 3.06Å; I1031-S1037 PolarHBondContact O-N 2.84Å; I1031-K1039 HydrophobicContact CD1-CB 3.91Å; I1031-K1039 HydrophobicContact CD1-CD 4.46Å |
| 1032 | R | 79.9 | Confident | 88.6 | Confident | 29 Ų | 29 | 21.6 Ų | 21.6 | 11% | 0.109 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.4 | 172.8 | -167.2 | 179.5 | 64.2 | 106.1 | 10.1 | 111.4 | L134 E138 L725 T726 S727 | L134-R1032 HydrophobicContact CD1-CG 3.79Å; E138-R1032 WeakPolarHBondContact OE1-CD 3.48Å; E138-R1032 IonicContact OE1-CZ 3.48Å; E138-R1032 IonicContact OE1-NE 2.75Å; E138-R1032 PolarHBondContact OE1-NE 2.91Å; E138-R1032 IonicContact OE1-NH1 3.02Å; E138-R1032 PolarHBondContact OE1-NH1 3.09Å; L725-R1032 HydrophobicContact CD2-CB 4.44Å; T726-R1032 PolarHBondContact O-N 3.2Å; S727-R1032 PolarHBondContact OG-NE 2.74Å; S727-R1032 PolarHBondContact OG-NH2 3.45Å; S727-R1032 VanDerWaalsContact OG-NH2 3.08Å |
| 1033 | T | 74.1 | Confident | 88.8 | Confident | 73 Ų | 73 | 20.9 Ų | 20.9 | 45% | 0.448 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -132.1 | -135.7 | 172.1 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | I1031 A1035 | I1031-T1033 HydrophobicContact CG2-CG2 4.16Å; T1033-A1035 PolarHBondContact N-O 3.06Å; T1033-A1035 PolarHBondContact O-N 3.44Å; T1033-A1035 PolarHBondContact OG1-N 2.87Å; T1033-A1035 PolarHBondContact OG1-O 3.43Å |
| 1034 | Q | 70.7 | Confident | 88.9 | Confident | 116 Ų | 116 | 19.9 Ų | 19.9 | 54% | 0.542 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -66.3 | -23.3 | 161.2 | -69.9 | 178.6 | -29.8 | 0 | 0 | 112.1 | H182 | H182-Q1034 PolarHBondContact O-NE2 3.45Š|
| 1035 | A | 79.5 | Confident | 88.7 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 10% | 0.099 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -136 | 163.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | D130 L1006 T1033 | D130-A1035 HydrophobicContact CB-CB 4.28Å; L1006-A1035 HydrophobicContact CD1-CB 3.91Å; T1033-A1035 PolarHBondContact N-O 3.06Å; T1033-A1035 PolarHBondContact O-N 3.44Å; T1033-A1035 PolarHBondContact OG1-N 2.87Å; T1033-A1035 PolarHBondContact OG1-O 3.43Å |
| 1036 | V | 85.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 138.8 | 168 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | L134 A137 L725 A1005 L1006 K1030 I1031 | L134-V1036 HydrophobicContact CD1-CG2 3.83Å; A137-V1036 HydrophobicContact CB-CG2 3.78Å; L725-V1036 HydrophobicContact CD2-CG1 4.07Å; L725-V1036 HydrophobicContact CD2-CG2 4.38Å; A1005-V1036 HydrophobicContact CB-CB 4.21Å; A1005-V1036 HydrophobicContact CB-CG1 3.83Å; L1006-V1036 PolarHBondContact N-O 3.45Å; K1030-V1036 HydrophobicContact CD-CG1 4.08Å; K1030-V1036 HydrophobicContact CG-CG1 3.52Å; I1031-V1036 CarbonylContact O-C 3.58Å |
| 1037 | S | 90.2 | Very high | 88.5 | Confident | 8 Ų | 8 | 20.2 Ų | 20.2 | 6% | 0.056 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 132 | 175.5 | -65 | 0 | 0 | 0 | 0 | 112 | L1006 I1031 | L1006-S1037 CarbonylContact O-C 3.52Å; L1006-S1037 WeakPolarHBondContact O-CA 3.3Å; L1006-S1037 WeakPolarHBondContact O-CB 3.47Å; I1031-S1037 PolarHBondContact N-O 3.06Å; I1031-S1037 PolarHBondContact O-N 2.84Å |
| 1038 | C | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136.9 | 174.1 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | L997 L1006 H1008 F1027 E1029 L1041 | L997-C1038 HydrophobicContact CD1-CB 3.88Å; L1006-C1038 PolarHBondContact O-N 3.34Å; H1008-C1038 WeakPolarHBondContact CB-O 3.48Å; H1008-C1038 PolarHBondContact N-O 2.98Å; F1027-C1038 HydrophobicContact CB-CB 4.03Å; F1027-C1038 HydrophobicContact CD1-CB 3.97Å; F1027-C1038 HydrophobicContact CD2-CB 3.97Å; F1027-C1038 HydrophobicContact CE1-CB 4.45Å; F1027-C1038 HydrophobicContact CE2-CB 4.48Å; F1027-C1038 HydrophobicContact CG-CB 3.71Å; E1029-C1038 WeakPolarHBondContact O-CA 3.12Å; C1038-L1041 HydrophobicContact CB-CD1 4.27Å; C1038-L1041 VanDerWaalsContact O-CD1 3.23Å; C1038-L1041 WeakPolarHBondContact O-CD1 3.37Å |
| 1039 | K | 91 | Very high | 88.8 | Confident | 35 Ų | 35 | 18.5 Ų | 18.5 | 15% | 0.152 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 148.8 | 175.5 | -160.2 | -145.8 | 176.1 | -154.5 | 0 | 110.4 | D872 H1008 F1027 D1028 E1029 I1031 | D872-K1039 WeakPolarHBondContact OD2-CE 3.48Å; D872-K1039 IonicContact OD2-NZ 3.34Å; D872-K1039 PolarHBondContact OD2-NZ 3.28Å; H1008-K1039 HydrophobicContact CB-CB 4.19Å; H1008-K1039 HydrophobicContact CB-CG 4.22Å; F1027-K1039 WeakPolarHBondContact CB-O 3.09Å; D1028-K1039 WeakPolarHBondContact CB-O 3.34Å; D1028-K1039 PolarHBondContact N-O 2.94Å; E1029-K1039 PolarHBondContact N-O 3.46Å; E1029-K1039 PolarHBondContact O-N 2.68Å; I1031-K1039 HydrophobicContact CD1-CB 3.91Å; I1031-K1039 HydrophobicContact CD1-CD 4.46Å |
| 1040 | G | 91.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 76 | 50.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D897 H898 F1027 D1028 | D897-G1040 WeakPolarHBondContact OD2-CA 3.49Å; D897-G1040 PolarHBondContact OD2-N 3.03Å; H898-G1040 PolarHBondContact CE1-O 3.18Å; F1027-G1040 WeakPolarHBondContact CA-O 3.37Å; D1028-G1040 WeakPolarHBondContact OD2-CA 3.24Å |
| 1041 | L | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -81.8 | 130.4 | -172.9 | -73.3 | 88.8 | 0 | 0 | 0 | 112.5 | S896 D897 L997 I1007 N1013 F1025 V1026 F1027 C1038 | S896-L1041 WeakPolarHBondContact CA-O 3.41Å; D897-L1041 PolarHBondContact N-O 2.81Å; D897-L1041 PolarHBondContact OD2-N 3.02Å; L997-L1041 HydrophobicContact CD1-CD2 3.98Å; L997-L1041 HydrophobicContact CD2-CD2 4.35Å; I1007-L1041 HydrophobicContact CG1-CD2 4.02Å; I1007-L1041 HydrophobicContact CG2-CD1 4.22Å; I1007-L1041 HydrophobicContact CG2-CD2 4.35Å; N1013-L1041 PolarHBondContact ND2-O 3.35Å; N1013-L1041 VanDerWaalsContact ND2-O 3.15Å; F1025-L1041 HydrophobicContact CB-CD2 4.25Å; F1025-L1041 HydrophobicContact CD1-CB 3.95Å; F1025-L1041 HydrophobicContact CD1-CD2 4.1Å; F1025-L1041 HydrophobicContact CG-CD2 4.18Å; V1026-L1041 WeakPolarHBondContact O-CA 3.36Å; F1027-L1041 HydrophobicContact CB-CG 4.39Å; C1038-L1041 HydrophobicContact CB-CD1 4.27Å; C1038-L1041 VanDerWaalsContact O-CD1 3.23Å; C1038-L1041 WeakPolarHBondContact O-CD1 3.37Å | ||
| 1042 | T | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124 | 167.4 | -69.8 | 0 | 0 | 0 | 0 | 110.1 | S896 H898 L980 F1025 V1026 V1044 | S896-T1042 WeakPolarHBondContact OG-CB 3.31Å; S896-T1042 WeakPolarHBondContact OG-CG2 3.4Å; S896-T1042 PolarHBondContact OG-OG1 3.14Å; H898-T1042 PolarHBondContact ND1-OG1 2.81Å; L980-T1042 HydrophobicContact CD1-CG2 4.22Å; F1025-T1042 CarbonylContact C-O 3.59Å; F1025-T1042 WeakPolarHBondContact CA-O 3.4Å; F1025-T1042 VanDerWaalsContact CD1-C 3.49Å; V1026-T1042 PolarHBondContact N-O 2.68Å; V1026-T1042 PolarHBondContact O-N 2.95Å; T1042-V1044 HydrophobicContact CG2-CG1 4.26Å |
| 1043 | M | 95.8 | Very high | 90.2 | Very high | 23 Ų | 23 | 15.2 Ų | 15.2 | 11% | 0.113 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 136.7 | 172.3 | -173.6 | -178.8 | 65.8 | 0 | 0 | 109.7 | S895 F1020 N1021 Y1022 F1024 F1025 | S895-M1043 PolarHBondContact O-N 3.49Å; S895-M1043 VanDerWaalsContact O-N 3.15Å; F1020-M1043 HydrophobicContact CB-SD 4.01Å; F1020-M1043 HydrophobicContact CD1-SD 4.46Å; N1021-M1043 HydrophobicContact CB-CE 4.12Å; N1021-M1043 HydrophobicContact CB-SD 4.15Å; Y1022-M1043 HydrophobicContact CD2-CE 4.39Å; Y1022-M1043 HydrophobicContact CD2-SD 4.44Å; F1024-M1043 WeakPolarHBondContact O-CA 3.43Å; F1025-M1043 HydrophobicContact CD1-CB 4.08Å; F1025-M1043 VanDerWaalsContact CD1-N 3.34Å; F1025-M1043 HydrophobicContact CE1-CB 3.57Å; F1025-M1043 HydrophobicContact CE1-CG 4.26Å; F1025-M1043 HydrophobicContact CZ-CB 3.93Å; F1025-M1043 HydrophobicContact CZ-CG 4.11Å |
| 1044 | V | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 2% | 0.018 | 6% | 0.06 | C | C | . | . | trans | -133.9 | 153.3 | -176.7 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | V981 Y1022 F1024 V1026 T1042 L1049 | V981-V1044 HydrophobicContact CG2-CB 4.24Å; V981-V1044 HydrophobicContact CG2-CG1 3.77Å; Y1022-V1044 WeakPolarHBondContact CB-O 3.15Å; F1024-V1044 HydrophobicContact CB-CG2 3.88Å; F1024-V1044 PolarHBondContact O-N 3.05Å; V1026-V1044 HydrophobicContact CG1-CG1 4.3Å; V1026-V1044 HydrophobicContact CG1-CG2 4.28Å; V1026-V1044 HydrophobicContact CG2-CG1 3.9Å; T1042-V1044 HydrophobicContact CG2-CG1 4.26Å; V1044-L1049 HydrophobicContact CG2-CD2 3.87Å; V1044-L1049 HydrophobicContact CG2-CG 4.15Å | ||
| 1045 | H | 90.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.037 | 6% | 0.057 | C | C | . | . | trans | -82.1 | 146.4 | -177.7 | -169.6 | -127.7 | 0 | 0 | 0 | 111.5 | Y1022 I1047 Q1048 L1049 L1132 | Y1022-H1045 AromaticContact CE1-CD2 3.72Å; Y1022-H1045 AromaticContact CE2-CD2 3.84Å; Y1022-H1045 AromaticContact CZ-CD2 3.47Å; Y1022-H1045 VanDerWaalsContact CZ-CD2 3.47Å; H1045-I1047 VanDerWaalsContact C-N 3.27Å; H1045-I1047 PolarHBondContact O-N 3.33Å; H1045-Q1048 HydrophobicContact CB-CB 4.36Å; H1045-Q1048 HydrophobicContact CB-CG 3.91Å; H1045-Q1048 WeakPolarHBondContact O-CB 3.07Å; H1045-Q1048 PolarHBondContact O-N 2.68Å; H1045-L1049 PolarHBondContact O-N 2.96Å; H1045-L1132 WeakPolarHBondContact NE2-CD1 3.33Å; H1045-L1132 WeakPolarHBondContact NE2-CG 3.3Å | ||
| 1046 | P | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -50.6 | -42.2 | 175.9 | -31.6 | 38.1 | 0 | 0 | 0 | 114.2 | V251 Y1022 F1024 Q1048 L1049 M1050 F1078 L1132 | V251-P1046 HydrophobicContact CG1-CB 4.41Å; V251-P1046 HydrophobicContact CG2-CB 3.71Å; V251-P1046 HydrophobicContact CG2-CG 4.16Å; Y1022-P1046 HydrophobicContact CD1-CG 4.31Å; F1024-P1046 HydrophobicContact CD2-CG 4.27Å; F1024-P1046 HydrophobicContact CE2-CG 4.03Å; P1046-Q1048 VanDerWaalsContact C-N 3.34Å; P1046-Q1048 PolarHBondContact O-N 3.44Å; P1046-L1049 WeakPolarHBondContact O-CB 3.39Å; P1046-L1049 PolarHBondContact O-N 3.36Å; P1046-M1050 WeakPolarHBondContact O-CG 3.47Å; P1046-M1050 PolarHBondContact O-N 2.94Å; P1046-F1078 HydrophobicContact CB-CD1 4.19Å; P1046-F1078 HydrophobicContact CB-CE1 3.66Å; P1046-F1078 HydrophobicContact CB-CZ 3.94Å; P1046-F1078 HydrophobicContact CG-CE1 4.18Å; P1046-L1132 HydrophobicContact CG-CD1 4.48Å |
| 1047 | I | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.8 | -33.4 | -180 | -54.7 | -178.3 | 0 | 0 | 0 | 111.7 | L253 H1045 L1049 M1050 L1051 I1088 L1126 A1131 L1132 | L253-I1047 HydrophobicContact CD1-CD1 3.65Å; H1045-I1047 VanDerWaalsContact C-N 3.27Å; H1045-I1047 PolarHBondContact O-N 3.33Å; I1047-L1049 VanDerWaalsContact C-N 3.29Å; I1047-L1049 PolarHBondContact O-N 3.48Å; I1047-M1050 PolarHBondContact O-N 3.36Å; I1047-L1051 HydrophobicContact CG2-CD1 3.96Å; I1047-L1051 HydrophobicContact CG2-CG 4.21Å; I1047-L1051 WeakPolarHBondContact O-CG 3.43Å; I1047-L1051 PolarHBondContact O-N 3.11Å; I1047-I1088 HydrophobicContact CD1-CD1 4.43Å; I1047-I1088 HydrophobicContact CG1-CD1 4.45Å; I1047-I1088 HydrophobicContact CG2-CD1 4.48Å; I1047-I1088 HydrophobicContact CG2-CG2 4.17Å; I1047-L1126 HydrophobicContact CD1-CD2 4.34Å; I1047-L1126 HydrophobicContact CG2-CB 4.16Å; I1047-L1126 HydrophobicContact CG2-CD2 4.33Å; I1047-A1131 HydrophobicContact CD1-CB 4.31Å; I1047-L1132 HydrophobicContact CD1-CD2 3.99Å; I1047-L1132 HydrophobicContact CG1-CD2 4.5Å |
| 1048 | Q | 95.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 2% | 0.023 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63 | -38.1 | 174.9 | -67.5 | 170 | -31.2 | 0 | 0 | 111.1 | D974 T978 V981 H1045 P1046 L1051 F1052 | D974-Q1048 PolarHBondContact O-NE2 2.76Å; D974-Q1048 VanDerWaalsContact O-NE2 3.07Å; T978-Q1048 HydrophobicContact CG2-CG 4.22Å; T978-Q1048 WeakPolarHBondContact OG1-CG 3.27Å; T978-Q1048 PolarHBondContact OG1-NE2 2.91Å; V981-Q1048 HydrophobicContact CG2-CB 4.09Å; H1045-Q1048 HydrophobicContact CB-CB 4.36Å; H1045-Q1048 HydrophobicContact CB-CG 3.91Å; H1045-Q1048 WeakPolarHBondContact O-CB 3.07Å; H1045-Q1048 PolarHBondContact O-N 2.68Å; P1046-Q1048 VanDerWaalsContact C-N 3.34Å; P1046-Q1048 PolarHBondContact O-N 3.44Å; Q1048-L1051 PolarHBondContact O-N 3.05Å; Q1048-F1052 PolarHBondContact O-N 2.71Å |
| 1049 | L | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 172.6 | -66.1 | -170.3 | 0 | 0 | 0 | 112.7 | V981 I988 F1024 V1044 H1045 P1046 I1047 L1051 G1053 C1054 I1072 I1076 F1078 | V981-L1049 HydrophobicContact CG1-CD2 4.05Å; I988-L1049 HydrophobicContact CD1-CD2 3.76Å; I988-L1049 HydrophobicContact CG1-CD2 3.97Å; I988-L1049 HydrophobicContact CG2-CD1 4.15Å; I988-L1049 HydrophobicContact CG2-CD2 4.15Å; F1024-L1049 HydrophobicContact CB-CD1 3.83Å; F1024-L1049 HydrophobicContact CD1-CD1 3.75Å; F1024-L1049 HydrophobicContact CG-CD1 3.82Å; V1044-L1049 HydrophobicContact CG2-CD2 3.87Å; V1044-L1049 HydrophobicContact CG2-CG 4.15Å; H1045-L1049 PolarHBondContact O-N 2.96Å; P1046-L1049 WeakPolarHBondContact O-CB 3.39Å; P1046-L1049 PolarHBondContact O-N 3.36Å; I1047-L1049 VanDerWaalsContact C-N 3.29Å; I1047-L1049 PolarHBondContact O-N 3.48Å; L1049-L1051 VanDerWaalsContact C-N 3.31Å; L1049-L1051 PolarHBondContact O-N 2.77Å; L1049-G1053 CarbonylContact O-C 3.46Å; L1049-G1053 VanDerWaalsContact O-C 3.24Å; L1049-G1053 WeakPolarHBondContact O-CA 3.17Å; L1049-G1053 PolarHBondContact O-N 2.9Å; L1049-C1054 PolarHBondContact O-N 2.93Å; L1049-I1072 HydrophobicContact CB-CD1 3.95Å; L1049-I1076 HydrophobicContact CD1-CD1 3.95Å; L1049-F1078 HydrophobicContact CB-CZ 4.46Å; L1049-F1078 HydrophobicContact CD1-CZ 4.38Å |
| 1050 | M | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.3 | -33.1 | 176 | -66.1 | 176.2 | 73.5 | 0 | 0 | 113 | P1046 I1047 F1078 M1080 A1085 I1088 F1089 R1092 | P1046-M1050 WeakPolarHBondContact O-CG 3.47Å; P1046-M1050 PolarHBondContact O-N 2.94Å; I1047-M1050 PolarHBondContact O-N 3.36Å; M1050-F1078 HydrophobicContact CG-CD2 4.16Å; M1050-F1078 HydrophobicContact CG-CE2 3.95Å; M1050-F1078 HydrophobicContact SD-CD2 4.41Å; M1050-M1080 HydrophobicContact CE-CE 3.75Å; M1050-M1080 HydrophobicContact CE-SD 3.6Å; M1050-M1080 HydrophobicContact SD-CE 3.96Å; M1050-M1080 HydrophobicContact SD-SD 3.86Å; M1050-A1085 HydrophobicContact CE-CB 4.11Å; M1050-I1088 HydrophobicContact CB-CG2 3.75Å; M1050-I1088 HydrophobicContact CE-CB 4.09Å; M1050-I1088 HydrophobicContact CE-CD1 4.23Å; M1050-I1088 HydrophobicContact CE-CG2 3.88Å; M1050-I1088 HydrophobicContact SD-CD1 4.33Å; M1050-I1088 HydrophobicContact SD-CG2 4.21Å; M1050-F1089 HydrophobicContact CB-CE1 3.83Å; M1050-F1089 HydrophobicContact CB-CZ 4.19Å; M1050-F1089 HydrophobicContact CE-CD2 4.3Å; M1050-F1089 HydrophobicContact CE-CE1 4.12Å; M1050-F1089 HydrophobicContact CE-CE2 3.59Å; M1050-F1089 HydrophobicContact CE-CZ 3.48Å; M1050-F1089 VanDerWaalsContact CE-CZ 3.48Å; M1050-F1089 HydrophobicContact CG-CE1 4.25Å; M1050-F1089 HydrophobicContact CG-CZ 4.11Å; M1050-F1089 WeakPolarHBondContact O-CE1 3.26Å; M1050-R1092 WeakPolarHBondContact O-CD 3.26Å |
| 1051 | L | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -83.9 | -39.2 | -178 | -68.1 | 175.5 | 0 | 0 | 0 | 113.8 | I1047 Q1048 L1049 I1088 F1091 R1092 L1095 L1123 L1126 | I1047-L1051 HydrophobicContact CG2-CD1 3.96Å; I1047-L1051 HydrophobicContact CG2-CG 4.21Å; I1047-L1051 WeakPolarHBondContact O-CG 3.43Å; I1047-L1051 PolarHBondContact O-N 3.11Å; Q1048-L1051 PolarHBondContact O-N 3.05Å; L1049-L1051 VanDerWaalsContact C-N 3.31Å; L1049-L1051 PolarHBondContact O-N 2.77Å; L1051-I1088 HydrophobicContact CD2-CG2 3.92Å; L1051-I1088 WeakPolarHBondContact CD2-O 3.36Å; L1051-I1088 HydrophobicContact CG-CG2 4.26Å; L1051-F1091 HydrophobicContact CD2-CB 4.39Å; L1051-F1091 HydrophobicContact CD2-CD1 3.98Å; L1051-R1092 HydrophobicContact CD2-CG 4.17Å; L1051-R1092 PolarHBondContact O-NE 2.82Å; L1051-L1095 HydrophobicContact CB-CD1 4.36Å; L1051-L1095 HydrophobicContact CD1-CD1 4.33Å; L1051-L1095 HydrophobicContact CD2-CD1 4.02Å; L1051-L1095 HydrophobicContact CG-CD1 4.48Å; L1051-L1123 HydrophobicContact CD1-CD1 3.62Å; L1051-L1126 HydrophobicContact CD1-CD1 4.46Å |
| 1052 | F | 92.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 27.5 Ų | 27.5 | 11% | 0.114 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -130.3 | -11.8 | -173.3 | -66.8 | -66.2 | 0 | 0 | 0 | 115 | F850 T978 V981 Q1048 L1095 L1123 | F850-F1052 AromaticContact CE1-CE1 3.72Å; F850-F1052 HydrophobicContact CE1-CE1 3.72Å; F850-F1052 AromaticContact CE1-CZ 3.68Å; F850-F1052 HydrophobicContact CE1-CZ 3.68Å; F850-F1052 HydrophobicContact CZ-CZ 4.24Å; T978-F1052 HydrophobicContact CG2-CD2 3.52Å; T978-F1052 HydrophobicContact CG2-CE2 3.49Å; T978-F1052 VanDerWaalsContact CG2-CE2 3.49Å; V981-F1052 HydrophobicContact CB-CB 4.02Å; V981-F1052 HydrophobicContact CG1-CB 3.83Å; Q1048-F1052 PolarHBondContact O-N 2.71Å; F1052-L1095 HydrophobicContact CE1-CB 4.39Å; F1052-L1095 HydrophobicContact CE1-CD1 4.42Å; F1052-L1095 HydrophobicContact CE2-CD1 4.08Å; F1052-L1095 HydrophobicContact CZ-CB 4.11Å; F1052-L1095 HydrophobicContact CZ-CD1 3.71Å; F1052-L1095 HydrophobicContact CZ-CG 4.35Å; F1052-L1123 HydrophobicContact CE2-CD1 4.41Å |
| 1053 | G | 89.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -104.8 | 20.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y985 I988 L1049 | Y985-G1053 VanDerWaalsContact CE2-C 3.45Å; Y985-G1053 VanDerWaalsContact CE2-O 3.32Å; Y985-G1053 WeakPolarHBondContact CE2-O 3.43Å; I988-G1053 WeakPolarHBondContact CD1-O 3.48Å; L1049-G1053 CarbonylContact O-C 3.46Å; L1049-G1053 VanDerWaalsContact O-C 3.24Å; L1049-G1053 WeakPolarHBondContact O-CA 3.17Å; L1049-G1053 PolarHBondContact O-N 2.9Å |
| 1054 | C | 89.8 | Confident | 87 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | trans | -151.2 | 155.9 | 175.7 | 66.2 | 0 | 0 | 0 | 0 | 114.6 | L1049 I1072 D1073 R1092 | L1049-C1054 PolarHBondContact O-N 2.93Å; C1054-I1072 HydrophobicContact CB-CB 3.8Å; C1054-I1072 HydrophobicContact CB-CD1 4.12Å; C1054-I1072 HydrophobicContact CB-CG1 4.46Å; C1054-I1072 HydrophobicContact CB-CG2 4.27Å; C1054-D1073 WeakPolarHBondContact CA-OD1 3.25Å; C1054-D1073 WeakPolarHBondContact CB-OD1 3.49Å; C1054-R1092 VanDerWaalsContact O-CZ 3.3Å; C1054-R1092 PolarHBondContact O-NH1 3.36Å; C1054-R1092 PolarHBondContact O-NH2 2.77Å; C1054-R1092 PolarHBondContact SG-NH1 3.15Å | ||
| 1055 | R | 85.4 | Confident | 85.9 | Confident | 129 Ų | 129 | 40.7 Ų | 40.7 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -106.5 | -28.2 | 168.5 | -72.3 | 167.9 | 179.4 | 165 | 0.5 | 112.5 | I288 E818 Y985 D1073 | I288-R1055 WeakPolarHBondContact CD1-O 3.28Å; E818-R1055 IonicContact OE1-CZ 3.89Å; E818-R1055 IonicContact OE1-NE 3.67Å; E818-R1055 PolarHBondContact OE1-NE 3.27Å; E818-R1055 IonicContact OE1-NH2 2.68Å; E818-R1055 PolarHBondContact OE1-NH2 3.4Å; E818-R1055 IonicContact OE2-CZ 2.71Å; E818-R1055 IonicContact OE2-NH2 2.7Å; E818-R1055 PolarHBondContact OE2-NH2 2.94Å; Y985-R1055 HydrophobicContact CE1-CG 4.01Å; Y985-R1055 WeakPolarHBondContact OH-CD 3.42Å; Y985-R1055 WeakPolarHBondContact OH-CG 3.48Å; R1055-D1073 PolarHBondContact N-OD1 3.34Å |
| 1056 | S | 88.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | trans | -125.6 | 151.5 | 173.4 | 74.3 | 0 | 0 | 0 | 0 | 112 | I1072 D1073 | S1056-I1072 VanDerWaalsContact O-CA 3.3Å; S1056-I1072 WeakPolarHBondContact O-CA 3.47Å; S1056-D1073 PolarHBondContact N-OD1 3.45Å; S1056-D1073 PolarHBondContact O-N 2.97Å; S1056-D1073 WeakPolarHBondContact OG-CA 3.25Å; S1056-D1073 PolarHBondContact OG-N 2.83Å | ||
| 1057 | A | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 99.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | N286 M287 I288 V1070 V1071 I1072 F1089 | N286-A1057 CarbonylContact C-O 3.57Å; N286-A1057 WeakPolarHBondContact CA-O 3.39Å; N286-A1057 PolarHBondContact OD1-N 2.92Å; N286-A1057 PolarHBondContact OD1-O 3.22Å; M287-A1057 HydrophobicContact CB-CB 4.43Å; M287-A1057 PolarHBondContact N-O 3.24Å; I288-A1057 HydrophobicContact CD1-CB 3.95Å; I288-A1057 HydrophobicContact CG1-CB 3.91Å; A1057-V1070 HydrophobicContact CB-CG1 4.07Å; A1057-V1071 WeakPolarHBondContact CA-O 3.37Å; A1057-I1072 HydrophobicContact CB-CG2 4Å; A1057-F1089 HydrophobicContact CB-CD1 4.38Å; A1057-F1089 HydrophobicContact CB-CD2 4.21Å; A1057-F1089 HydrophobicContact CB-CE1 3.73Å; A1057-F1089 HydrophobicContact CB-CE2 3.54Å; A1057-F1089 HydrophobicContact CB-CZ 3.27Å |
| 1058 | I | 89.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.9 | -175.3 | -61.5 | 175.4 | 0 | 0 | 0 | 110 | A284 Y285 R1060 V1071 D1074 | A284-I1058 HydrophobicContact CB-CD1 4.22Å; A284-I1058 HydrophobicContact CB-CG2 3.7Å; Y285-I1058 WeakPolarHBondContact O-CA 3.38Å; I1058-R1060 HydrophobicContact CG2-CG 4.47Å; I1058-V1071 PolarHBondContact N-O 3.32Å; I1058-V1071 PolarHBondContact O-N 2.91Å; I1058-D1074 VanDerWaalsContact CD1-OD1 3.26Å; I1058-D1074 WeakPolarHBondContact CD1-OD1 3.46Å |
| 1059 | W | 87.2 | Confident | 84.7 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.7 | 169.8 | -178.8 | -99 | 0 | 0 | 0 | 111.9 | Y285 M287 G1068 V1070 M1080 F1082 | Y285-W1059 HydrophobicContact CD1-CB 4.23Å; Y285-W1059 PolarHBondContact O-N 3.34Å; M287-W1059 HydrophobicContact CE-CE3 4.37Å; M287-W1059 HydrophobicContact CG-CB 4.16Å; M287-W1059 HydrophobicContact SD-CB 3.95Å; M287-W1059 HydrophobicContact SD-CE3 3.93Å; W1059-G1068 VanDerWaalsContact CH2-CA 3.45Å; W1059-V1070 HydrophobicContact CE3-CG2 3.79Å; W1059-V1070 HydrophobicContact CZ3-CG2 3.95Å; W1059-M1080 WeakPolarHBondContact CH2-O 3.49Å; W1059-F1082 AromaticContact CD2-CD2 3.64Å; W1059-F1082 HydrophobicContact CD2-CD2 3.64Å; W1059-F1082 HydrophobicContact CD2-CE2 4.4Å; W1059-F1082 AromaticContact CE2-CD2 3.86Å; W1059-F1082 HydrophobicContact CE3-CB 4.41Å; W1059-F1082 AromaticContact CE3-CD2 3.87Å; W1059-F1082 HydrophobicContact CE3-CD2 3.87Å; W1059-F1082 AromaticContact CG-CD2 3.96Å; W1059-F1082 HydrophobicContact CG-CD2 3.96Å; W1059-F1082 HydrophobicContact CG-CE2 4.28Å; W1059-F1082 HydrophobicContact CH2-CB 3.61Å; W1059-F1082 HydrophobicContact CH2-CD2 4.42Å; W1059-F1082 HydrophobicContact CZ2-CB 3.86Å; W1059-F1082 HydrophobicContact CZ2-CD2 4.26Å; W1059-F1082 HydrophobicContact CZ3-CB 3.94Å; W1059-F1082 HydrophobicContact CZ3-CD2 4.26Å |
| 1060 | R | 84.3 | Confident | 84.5 | Confident | 141 Ų | 141 | 52.6 Ų | 52.6 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143.4 | 165.8 | -58.2 | -175.1 | -172.3 | 170.2 | 5.9 | 109.5 | I1058 I1069 | I1058-R1060 HydrophobicContact CG2-CG 4.47Å; R1060-I1069 PolarHBondContact N-O 3.34Å; R1060-I1069 PolarHBondContact O-N 3.13Å |
| 1061 | S | 75.5 | Confident | 84.4 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | trans | -148.7 | 133.1 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | D1063 | S1061-D1063 PolarHBondContact OG-N 3.24Å; S1061-D1063 PolarHBondContact OG-O 3.37Å | ||
| 1062 | D | 66.9 | Low | 84.2 | Confident | 148 Ų | 148 | 53 Ų | 53 | 79% | 0.791 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -79.6 | -24.8 | 178.2 | -51.6 | -48.3 | 0 | 0 | 0 | 111.3 | ||
| 1063 | D | 70.2 | Confident | 84 | Confident | 124 Ų | 124 | 53.3 Ų | 53.3 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -119.2 | 172.2 | -178.4 | -79.4 | -49.5 | 0 | 0 | 0 | 112.8 | S1061 S1065 | S1061-D1063 PolarHBondContact OG-N 3.24Å; S1061-D1063 PolarHBondContact OG-O 3.37Å; D1063-S1065 PolarHBondContact O-N 2.77Å |
| 1064 | S | 67.6 | Low | 83.7 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 87% | 0.867 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.6 | 7.5 | 170.3 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1065 | S | 72.7 | Confident | 83.5 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -72.2 | 150 | 179 | 129.1 | 0 | 0 | 0 | 0 | 112.5 | D1063 I1067 | D1063-S1065 PolarHBondContact O-N 2.77Å; S1065-I1067 PolarHBondContact O-N 2.78Å; S1065-I1067 PolarHBondContact OG-N 2.75Å; S1065-I1067 PolarHBondContact OG-O 3.08Å |
| 1066 | D | 80.4 | Confident | 83.8 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 62% | 0.62 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -71.3 | -10.6 | 173.1 | -65.9 | -50.8 | 0 | 0 | 0 | 113.4 | N1081 F1082 | D1066-N1081 WeakPolarHBondContact CB-ND2 3.47Å; D1066-N1081 CarbonylContact O-C 3.46Å; D1066-N1081 VanDerWaalsContact O-CA 3.3Å; D1066-N1081 WeakPolarHBondContact O-CA 3.21Å; D1066-F1082 PolarHBondContact O-N 3.27Å |
| 1067 | I | 86.9 | Confident | 84 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.4 | 174.6 | -57.5 | 176.9 | 0 | 0 | 0 | 109.1 | S1065 R1079 M1080 | S1065-I1067 PolarHBondContact O-N 2.78Å; S1065-I1067 PolarHBondContact OG-N 2.75Å; S1065-I1067 PolarHBondContact OG-O 3.08Å; I1067-R1079 HydrophobicContact CG2-CG 3.94Å; I1067-M1080 WeakPolarHBondContact CA-O 3.25Å |
| 1068 | G | 88 | Confident | 84.1 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | -159.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | W1059 R1079 M1080 | W1059-G1068 VanDerWaalsContact CH2-CA 3.45Å; G1068-R1079 VanDerWaalsContact O-CA 3.3Å; G1068-R1079 WeakPolarHBondContact O-CA 3.34Å; G1068-M1080 PolarHBondContact N-O 2.87Å; G1068-M1080 VanDerWaalsContact N-O 3.07Å; G1068-M1080 PolarHBondContact O-N 2.71Å |
| 1069 | I | 90.8 | Very high | 84.3 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.6 | -175.7 | -58.1 | 177.7 | 0 | 0 | 0 | 110.2 | V248 R1060 V1071 P1077 F1078 | V248-I1069 HydrophobicContact CG1-CD1 4.29Å; V248-I1069 HydrophobicContact CG1-CG1 4.36Å; V248-I1069 HydrophobicContact CG2-CD1 4.18Å; R1060-I1069 PolarHBondContact N-O 3.34Å; R1060-I1069 PolarHBondContact O-N 3.13Å; I1069-V1071 HydrophobicContact CG2-CG2 3.93Å; I1069-P1077 HydrophobicContact CG2-CB 3.55Å; I1069-F1078 CarbonylContact C-O 3.5Å; I1069-F1078 WeakPolarHBondContact CA-O 3.46Å |
| 1070 | V | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.2 | 165.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | M287 A1057 W1059 I1072 P1077 F1078 M1080 A1085 F1089 | M287-V1070 HydrophobicContact SD-CG1 4.38Å; M287-V1070 HydrophobicContact SD-CG2 3.88Å; A1057-V1070 HydrophobicContact CB-CG1 4.07Å; W1059-V1070 HydrophobicContact CE3-CG2 3.79Å; W1059-V1070 HydrophobicContact CZ3-CG2 3.95Å; V1070-I1072 HydrophobicContact CG1-CG2 4.1Å; V1070-P1077 CarbonylContact O-C 3.57Å; V1070-P1077 WeakPolarHBondContact O-CA 3.5Å; V1070-F1078 PolarHBondContact N-O 2.95Å; V1070-F1078 PolarHBondContact O-N 3.37Å; V1070-M1080 HydrophobicContact CB-SD 4.49Å; V1070-M1080 HydrophobicContact CG2-CG 3.79Å; V1070-M1080 HydrophobicContact CG2-SD 3.91Å; V1070-A1085 HydrophobicContact CG2-CB 3.72Å; V1070-F1089 HydrophobicContact CG1-CE2 3.79Å; V1070-F1089 HydrophobicContact CG1-CZ 3.87Å |
| 1071 | V | 91.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109.7 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | A1057 I1058 I1069 D1074 I1076 P1077 | A1057-V1071 WeakPolarHBondContact CA-O 3.37Å; I1058-V1071 PolarHBondContact N-O 3.32Å; I1058-V1071 PolarHBondContact O-N 2.91Å; I1069-V1071 HydrophobicContact CG2-CG2 3.93Å; V1071-D1074 VanDerWaalsContact CG1-C 3.46Å; V1071-I1076 CarbonylContact C-O 3.6Å; V1071-I1076 WeakPolarHBondContact CA-O 3.46Å; V1071-P1077 HydrophobicContact CG2-CB 4.41Å |
| 1072 | I | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 140.1 | 174.6 | 66.5 | 164 | 0 | 0 | 0 | 111.8 | L1049 C1054 S1056 A1057 V1070 D1074 W1075 I1076 F1078 F1089 | L1049-I1072 HydrophobicContact CB-CD1 3.95Å; C1054-I1072 HydrophobicContact CB-CB 3.8Å; C1054-I1072 HydrophobicContact CB-CD1 4.12Å; C1054-I1072 HydrophobicContact CB-CG1 4.46Å; C1054-I1072 HydrophobicContact CB-CG2 4.27Å; S1056-I1072 VanDerWaalsContact O-CA 3.3Å; S1056-I1072 WeakPolarHBondContact O-CA 3.47Å; A1057-I1072 HydrophobicContact CB-CG2 4Å; V1070-I1072 HydrophobicContact CG1-CG2 4.1Å; I1072-D1074 PolarHBondContact O-N 2.91Å; I1072-D1074 VanDerWaalsContact O-N 3.12Å; I1072-W1075 PolarHBondContact O-N 3.3Å; I1072-I1076 HydrophobicContact CD1-CB 4.32Å; I1072-I1076 HydrophobicContact CD1-CD1 4.32Å; I1072-I1076 HydrophobicContact CG1-CB 3.72Å; I1072-I1076 HydrophobicContact CG1-CG2 4.19Å; I1072-I1076 PolarHBondContact N-O 3.32Å; I1072-I1076 PolarHBondContact O-N 3.11Å; I1072-I1076 VanDerWaalsContact O-N 3.14Å; I1072-F1078 HydrophobicContact CD1-CE2 3.75Å; I1072-F1078 HydrophobicContact CD1-CZ 4.31Å; I1072-F1078 HydrophobicContact CG1-CE2 4.04Å; I1072-F1078 HydrophobicContact CG2-CD2 4.48Å; I1072-F1078 HydrophobicContact CG2-CE2 4.41Å; I1072-F1089 HydrophobicContact CG2-CZ 4.07Å |
| 1073 | D | 86.5 | Confident | 86.7 | Confident | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.171 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 39.1 | -178.4 | -71.8 | 2.4 | 0 | 0 | 0 | 114 | Y985 C1054 R1055 S1056 W1075 | Y985-D1073 WeakPolarHBondContact CE2-OD2 3.4Å; Y985-D1073 PolarHBondContact OH-OD2 2.93Å; C1054-D1073 WeakPolarHBondContact CA-OD1 3.25Å; C1054-D1073 WeakPolarHBondContact CB-OD1 3.49Å; R1055-D1073 PolarHBondContact N-OD1 3.34Å; S1056-D1073 PolarHBondContact N-OD1 3.45Å; S1056-D1073 PolarHBondContact O-N 2.97Å; S1056-D1073 WeakPolarHBondContact OG-CA 3.25Å; S1056-D1073 PolarHBondContact OG-N 2.83Å; D1073-W1075 PolarHBondContact O-N 3.14Å; D1073-W1075 VanDerWaalsContact O-N 3.08Å |
| 1074 | D | 83.7 | Confident | 87.7 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 2.6 | -176 | -90.2 | 27.2 | 0 | 0 | 0 | 116.3 | K240 I1058 V1071 I1072 | K240-D1074 IonicContact NZ-OD2 3.76Å; K240-D1074 PolarHBondContact NZ-OD2 3.47Å; I1058-D1074 VanDerWaalsContact CD1-OD1 3.26Å; I1058-D1074 WeakPolarHBondContact CD1-OD1 3.46Å; V1071-D1074 VanDerWaalsContact CG1-C 3.46Å; I1072-D1074 PolarHBondContact O-N 2.91Å; I1072-D1074 VanDerWaalsContact O-N 3.12Å |
| 1075 | W | 86.5 | Confident | 88.9 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -26.5 | -167.7 | 85.4 | -68 | 0 | 0 | 0 | 118.9 | V246 I988 F990 L998 T999 T1000 I1072 D1073 P1077 | V246-W1075 HydrophobicContact CG2-CE3 3.7Å; V246-W1075 HydrophobicContact CG2-CZ3 3.88Å; I988-W1075 HydrophobicContact CB-CZ2 4.33Å; I988-W1075 HydrophobicContact CG2-CH2 4.47Å; I988-W1075 HydrophobicContact CG2-CZ2 3.91Å; F990-W1075 HydrophobicContact CB-CH2 4.2Å; F990-W1075 HydrophobicContact CB-CZ3 4.14Å; L998-W1075 HydrophobicContact CB-CZ3 4.34Å; T999-W1075 WeakPolarHBondContact O-CZ3 3.43Å; T1000-W1075 VanDerWaalsContact CA-CE2 3.48Å; T1000-W1075 HydrophobicContact CG2-CZ2 3.71Å; I1072-W1075 PolarHBondContact O-N 3.3Å; D1073-W1075 PolarHBondContact O-N 3.14Å; D1073-W1075 VanDerWaalsContact O-N 3.08Å; W1075-P1077 WeakPolarHBondContact O-CD 3.22Å |
| 1076 | I | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.1 | 175.5 | -69.8 | 163.1 | 0 | 0 | 0 | 110.1 | I988 F1024 L1049 V1071 I1072 F1078 | I988-I1076 HydrophobicContact CG2-CD1 4.19Å; F1024-I1076 HydrophobicContact CD1-CD1 4.09Å; F1024-I1076 HydrophobicContact CE1-CD1 4.15Å; F1024-I1076 HydrophobicContact CE1-CG1 4.27Å; F1024-I1076 HydrophobicContact CE1-CG2 3.66Å; F1024-I1076 HydrophobicContact CZ-CG2 4.18Å; L1049-I1076 HydrophobicContact CD1-CD1 3.95Å; V1071-I1076 CarbonylContact C-O 3.6Å; V1071-I1076 WeakPolarHBondContact CA-O 3.46Å; I1072-I1076 HydrophobicContact CD1-CB 4.32Å; I1072-I1076 HydrophobicContact CD1-CD1 4.32Å; I1072-I1076 HydrophobicContact CG1-CB 3.72Å; I1072-I1076 HydrophobicContact CG1-CG2 4.19Å; I1072-I1076 PolarHBondContact N-O 3.32Å; I1072-I1076 PolarHBondContact O-N 3.11Å; I1072-I1076 VanDerWaalsContact O-N 3.14Å; I1076-F1078 HydrophobicContact CG2-CD1 4.18Å; I1076-F1078 HydrophobicContact CG2-CD2 4.39Å; I1076-F1078 HydrophobicContact CG2-CE1 3.68Å; I1076-F1078 HydrophobicContact CG2-CE2 3.93Å; I1076-F1078 HydrophobicContact CG2-CZ 3.54Å |
| 1077 | P | 92.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 11% | 0.11 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.2 | 174.4 | 30.9 | -27.3 | 0 | 0 | 0 | 113 | V246 V248 H249 I1069 V1070 V1071 W1075 | V246-P1077 VanDerWaalsContact O-CG 3.31Å; V246-P1077 WeakPolarHBondContact O-CG 3.37Å; V248-P1077 WeakPolarHBondContact CA-O 3.47Å; V248-P1077 HydrophobicContact CB-CG 4.47Å; V248-P1077 HydrophobicContact CG1-CB 4.42Å; V248-P1077 HydrophobicContact CG2-CB 4.09Å; V248-P1077 HydrophobicContact CG2-CG 4.02Å; H249-P1077 PolarHBondContact N-O 3.19Å; H249-P1077 VanDerWaalsContact N-O 3.08Å; I1069-P1077 HydrophobicContact CG2-CB 3.55Å; V1070-P1077 CarbonylContact O-C 3.57Å; V1070-P1077 WeakPolarHBondContact O-CA 3.5Å; V1071-P1077 HydrophobicContact CG2-CB 4.41Å; W1075-P1077 WeakPolarHBondContact O-CD 3.22Å |
| 1078 | F | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128 | 167.9 | -60.8 | -55.9 | 0 | 0 | 0 | 110.5 | H249 V251 F1024 P1046 L1049 M1050 I1069 V1070 I1072 I1076 M1080 | H249-F1078 HydrophobicContact CB-CD1 4.25Å; H249-F1078 CarbonylContact O-C 3.6Å; H249-F1078 VanDerWaalsContact O-CA 3.3Å; H249-F1078 WeakPolarHBondContact O-CA 3.25Å; V251-F1078 HydrophobicContact CG2-CB 3.98Å; V251-F1078 HydrophobicContact CG2-CD1 3.7Å; V251-F1078 HydrophobicContact CG2-CE1 4.45Å; V251-F1078 HydrophobicContact CG2-CG 4.02Å; F1024-F1078 HydrophobicContact CE1-CE1 4.13Å; F1024-F1078 HydrophobicContact CE1-CZ 4.5Å; F1024-F1078 AromaticContact CE2-CE1 3.85Å; F1024-F1078 HydrophobicContact CE2-CE1 3.85Å; F1024-F1078 HydrophobicContact CZ-CD1 4.44Å; F1024-F1078 AromaticContact CZ-CE1 3.56Å; F1024-F1078 HydrophobicContact CZ-CE1 3.56Å; F1024-F1078 HydrophobicContact CZ-CZ 4.31Å; P1046-F1078 HydrophobicContact CB-CD1 4.19Å; P1046-F1078 HydrophobicContact CB-CE1 3.66Å; P1046-F1078 HydrophobicContact CB-CZ 3.94Å; P1046-F1078 HydrophobicContact CG-CE1 4.18Å; L1049-F1078 HydrophobicContact CB-CZ 4.46Å; L1049-F1078 HydrophobicContact CD1-CZ 4.38Å; M1050-F1078 HydrophobicContact CG-CD2 4.16Å; M1050-F1078 HydrophobicContact CG-CE2 3.95Å; M1050-F1078 HydrophobicContact SD-CD2 4.41Å; I1069-F1078 CarbonylContact C-O 3.5Å; I1069-F1078 WeakPolarHBondContact CA-O 3.46Å; V1070-F1078 PolarHBondContact N-O 2.95Å; V1070-F1078 PolarHBondContact O-N 3.37Å; I1072-F1078 HydrophobicContact CD1-CE2 3.75Å; I1072-F1078 HydrophobicContact CD1-CZ 4.31Å; I1072-F1078 HydrophobicContact CG1-CE2 4.04Å; I1072-F1078 HydrophobicContact CG2-CD2 4.48Å; I1072-F1078 HydrophobicContact CG2-CE2 4.41Å; I1076-F1078 HydrophobicContact CG2-CD1 4.18Å; I1076-F1078 HydrophobicContact CG2-CD2 4.39Å; I1076-F1078 HydrophobicContact CG2-CE1 3.68Å; I1076-F1078 HydrophobicContact CG2-CE2 3.93Å; I1076-F1078 HydrophobicContact CG2-CZ 3.54Å; F1078-M1080 HydrophobicContact CB-SD 4.26Å |
| 1079 | R | 93.1 | Very high | 91 | Very high | 98 Ų | 98 | 24.3 Ų | 24.3 | 37% | 0.37 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.9 | 169.5 | -174.3 | -174.8 | -60.3 | 110.9 | -4.3 | 109.4 | V248 H249 D250 V251 I1067 G1068 | V248-R1079 HydrophobicContact CG1-CB 3.72Å; H249-R1079 PolarHBondContact O-N 2.74Å; D250-R1079 VanDerWaalsContact CG-NH1 3.31Å; D250-R1079 WeakPolarHBondContact OD1-CB 3.32Å; D250-R1079 VanDerWaalsContact OD1-CD 3.3Å; D250-R1079 WeakPolarHBondContact OD1-CD 3.32Å; D250-R1079 IonicContact OD1-CZ 3.21Å; D250-R1079 IonicContact OD1-NE 3.2Å; D250-R1079 IonicContact OD1-NH1 3.35Å; D250-R1079 PolarHBondContact OD1-NH1 2.93Å; D250-R1079 IonicContact OD2-NH1 2.72Å; D250-R1079 PolarHBondContact OD2-NH1 2.84Å; V251-R1079 PolarHBondContact N-O 3.09Å; I1067-R1079 HydrophobicContact CG2-CG 3.94Å; G1068-R1079 VanDerWaalsContact O-CA 3.3Å; G1068-R1079 WeakPolarHBondContact O-CA 3.34Å |
| 1080 | M | 92.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 173.6 | -178.2 | 63.1 | -166.9 | -54.5 | 0 | 0 | 112.7 | V251 M1050 W1059 I1067 G1068 V1070 F1078 T1084 A1085 I1088 | V251-M1080 HydrophobicContact CB-CB 4.22Å; V251-M1080 HydrophobicContact CB-CE 4.38Å; V251-M1080 HydrophobicContact CB-SD 4.37Å; V251-M1080 HydrophobicContact CG1-CE 3.98Å; V251-M1080 HydrophobicContact CG1-SD 4.48Å; V251-M1080 WeakPolarHBondContact O-CB 3.45Å; M1050-M1080 HydrophobicContact CE-CE 3.75Å; M1050-M1080 HydrophobicContact CE-SD 3.6Å; M1050-M1080 HydrophobicContact SD-CE 3.96Å; M1050-M1080 HydrophobicContact SD-SD 3.86Å; W1059-M1080 WeakPolarHBondContact CH2-O 3.49Å; I1067-M1080 WeakPolarHBondContact CA-O 3.25Å; G1068-M1080 PolarHBondContact N-O 2.87Å; G1068-M1080 VanDerWaalsContact N-O 3.07Å; G1068-M1080 PolarHBondContact O-N 2.71Å; V1070-M1080 HydrophobicContact CB-SD 4.49Å; V1070-M1080 HydrophobicContact CG2-CG 3.79Å; V1070-M1080 HydrophobicContact CG2-SD 3.91Å; F1078-M1080 HydrophobicContact CB-SD 4.26Å; M1080-T1084 HydrophobicContact CE-CG2 4.41Å; M1080-A1085 HydrophobicContact CE-CB 3.91Å; M1080-A1085 HydrophobicContact CG-CB 4Å; M1080-A1085 HydrophobicContact SD-CB 3.77Å; M1080-I1088 HydrophobicContact CE-CD1 4.04Å |
| 1081 | N | 91.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 27% | 0.273 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 138.1 | 172.9 | 178.9 | -76.9 | 0 | 0 | 0 | 111.4 | D1066 M1083 T1084 A1085 | D1066-N1081 WeakPolarHBondContact CB-ND2 3.47Å; D1066-N1081 CarbonylContact O-C 3.46Å; D1066-N1081 VanDerWaalsContact O-CA 3.3Å; D1066-N1081 WeakPolarHBondContact O-CA 3.21Å; N1081-M1083 PolarHBondContact O-N 2.89Å; N1081-M1083 WeakPolarHBondContact OD1-CA 3.32Å; N1081-M1083 WeakPolarHBondContact OD1-CB 2.95Å; N1081-M1083 PolarHBondContact OD1-N 3.1Å; N1081-T1084 PolarHBondContact O-N 3.42Å; N1081-T1084 PolarHBondContact OD1-N 3.02Å; N1081-T1084 PolarHBondContact OD1-OG1 2.79Å; N1081-A1085 PolarHBondContact O-N 2.59Å |
| 1082 | F | 89.2 | Confident | 91.4 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 6% | 0.057 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.9 | -49.2 | -179.7 | 176.7 | -88 | 0 | 0 | 0 | 112.6 | N273 K275 Y285 M287 W1059 D1066 A1085 A1086 | N273-F1082 WeakPolarHBondContact O-CZ 3.25Å; K275-F1082 HydrophobicContact CB-CE1 3.97Å; K275-F1082 HydrophobicContact CB-CE2 3.94Å; K275-F1082 HydrophobicContact CB-CZ 3.66Å; K275-F1082 VanDerWaalsContact N-CZ 3.28Å; Y285-F1082 HydrophobicContact CD1-CE2 4.2Å; Y285-F1082 AromaticContact CE1-CE2 3.76Å; Y285-F1082 HydrophobicContact CE1-CE2 3.76Å; Y285-F1082 AromaticContact CE1-CZ 3.78Å; Y285-F1082 HydrophobicContact CE1-CZ 3.78Å; M287-F1082 HydrophobicContact CE-CD2 3.65Å; M287-F1082 HydrophobicContact CE-CE2 3.54Å; M287-F1082 HydrophobicContact CE-CG 4.25Å; M287-F1082 HydrophobicContact CE-CZ 4.01Å; M287-F1082 WeakPolarHBondContact CE-O 3.47Å; M287-F1082 HydrophobicContact SD-CE2 4.44Å; W1059-F1082 AromaticContact CD2-CD2 3.64Å; W1059-F1082 HydrophobicContact CD2-CD2 3.64Å; W1059-F1082 HydrophobicContact CD2-CE2 4.4Å; W1059-F1082 AromaticContact CE2-CD2 3.86Å; W1059-F1082 HydrophobicContact CE3-CB 4.41Å; W1059-F1082 AromaticContact CE3-CD2 3.87Å; W1059-F1082 HydrophobicContact CE3-CD2 3.87Å; W1059-F1082 AromaticContact CG-CD2 3.96Å; W1059-F1082 HydrophobicContact CG-CD2 3.96Å; W1059-F1082 HydrophobicContact CG-CE2 4.28Å; W1059-F1082 HydrophobicContact CH2-CB 3.61Å; W1059-F1082 HydrophobicContact CH2-CD2 4.42Å; W1059-F1082 HydrophobicContact CZ2-CB 3.86Å; W1059-F1082 HydrophobicContact CZ2-CD2 4.26Å; W1059-F1082 HydrophobicContact CZ3-CB 3.94Å; W1059-F1082 HydrophobicContact CZ3-CD2 4.26Å; D1066-F1082 PolarHBondContact O-N 3.27Å; F1082-A1085 PolarHBondContact O-N 2.78Å; F1082-A1086 HydrophobicContact CE1-CB 4.15Å; F1082-A1086 HydrophobicContact CZ-CB 4.47Å; F1082-A1086 WeakPolarHBondContact O-CB 3.15Å; F1082-A1086 PolarHBondContact O-N 3.49Å |
| 1083 | M | 90 | Very high | 91.4 | Very high | 67 Ų | 67 | 24.1 Ų | 24.1 | 33% | 0.33 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -66.3 | -43.1 | -175.8 | -168.3 | 68.1 | 70.3 | 0 | 0 | 110.8 | V272 L274 N1081 A1085 A1086 R1087 | V272-M1083 HydrophobicContact CG1-SD 4.15Å; L274-M1083 HydrophobicContact CD2-CE 3.69Å; L274-M1083 HydrophobicContact CD2-SD 3.65Å; N1081-M1083 PolarHBondContact O-N 2.89Å; N1081-M1083 WeakPolarHBondContact OD1-CA 3.32Å; N1081-M1083 WeakPolarHBondContact OD1-CB 2.95Å; N1081-M1083 PolarHBondContact OD1-N 3.1Å; M1083-A1085 VanDerWaalsContact C-N 3.33Å; M1083-A1085 PolarHBondContact O-N 2.88Å; M1083-A1086 PolarHBondContact O-N 3.03Å; M1083-R1087 WeakPolarHBondContact O-CB 3.42Å; M1083-R1087 VanDerWaalsContact O-CG 3.26Å; M1083-R1087 WeakPolarHBondContact O-CG 3.21Å; M1083-R1087 PolarHBondContact O-N 2.79Å |
| 1084 | T | 92.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 6% | 0.061 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 174.8 | -48 | 0 | 0 | 0 | 0 | 111.6 | L253 E258 M1080 N1081 I1088 | L253-T1084 HydrophobicContact CB-CG2 3.55Å; L253-T1084 HydrophobicContact CD2-CG2 3.68Å; L253-T1084 HydrophobicContact CG-CG2 4.26Å; E258-T1084 VanDerWaalsContact CD-OG1 3.29Å; E258-T1084 VanDerWaalsContact OE1-CA 3.23Å; E258-T1084 WeakPolarHBondContact OE1-CA 3.5Å; E258-T1084 VanDerWaalsContact OE1-CB 3.31Å; E258-T1084 WeakPolarHBondContact OE1-CB 3.43Å; E258-T1084 PolarHBondContact OE1-OG1 2.92Å; E258-T1084 PolarHBondContact OE2-OG1 2.77Å; M1080-T1084 HydrophobicContact CE-CG2 4.41Å; N1081-T1084 PolarHBondContact O-N 3.42Å; N1081-T1084 PolarHBondContact OD1-N 3.02Å; N1081-T1084 PolarHBondContact OD1-OG1 2.79Å; T1084-I1088 HydrophobicContact CG2-CD1 4.32Å; T1084-I1088 WeakPolarHBondContact O-CG1 3.2Å; T1084-I1088 PolarHBondContact O-N 3.07Å; T1084-I1088 VanDerWaalsContact O-N 3.13Å |
| 1085 | A | 92.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M287 M1050 V1070 M1080 N1081 F1082 M1083 R1087 I1088 F1089 | M287-A1085 HydrophobicContact CE-CB 3.67Å; M287-A1085 HydrophobicContact SD-CB 4.17Å; M1050-A1085 HydrophobicContact CE-CB 4.11Å; V1070-A1085 HydrophobicContact CG2-CB 3.72Å; M1080-A1085 HydrophobicContact CE-CB 3.91Å; M1080-A1085 HydrophobicContact CG-CB 4Å; M1080-A1085 HydrophobicContact SD-CB 3.77Å; N1081-A1085 PolarHBondContact O-N 2.59Å; F1082-A1085 PolarHBondContact O-N 2.78Å; M1083-A1085 VanDerWaalsContact C-N 3.33Å; M1083-A1085 PolarHBondContact O-N 2.88Å; A1085-R1087 VanDerWaalsContact C-N 3.33Å; A1085-R1087 PolarHBondContact O-N 3.4Å; A1085-I1088 PolarHBondContact O-N 3.05Å; A1085-F1089 HydrophobicContact CB-CE2 4.34Å; A1085-F1089 WeakPolarHBondContact O-CD2 3.47Å; A1085-F1089 PolarHBondContact O-N 3.5Å |
| 1086 | A | 91.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V272 M287 F1082 M1083 F1089 A1090 | V272-A1086 HydrophobicContact CG1-CB 3.5Å; M287-A1086 HydrophobicContact CE-CB 3.87Å; F1082-A1086 HydrophobicContact CE1-CB 4.15Å; F1082-A1086 HydrophobicContact CZ-CB 4.47Å; F1082-A1086 WeakPolarHBondContact O-CB 3.15Å; F1082-A1086 PolarHBondContact O-N 3.49Å; M1083-A1086 PolarHBondContact O-N 3.03Å; A1086-F1089 PolarHBondContact O-N 3.32Å; A1086-A1090 VanDerWaalsContact O-CB 3.23Å; A1086-A1090 WeakPolarHBondContact O-CB 3.36Å; A1086-A1090 PolarHBondContact O-N 3.13Å |
| 1087 | R | 93.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 20.8 Ų | 20.8 | 21% | 0.211 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 171.6 | -74 | 166.3 | 168.6 | 144.1 | -1.7 | 112.1 | E258 L261 T262 L265 V272 M1083 A1085 F1089 A1090 F1091 | E258-R1087 IonicContact OE1-CZ 2.71Å; E258-R1087 IonicContact OE1-NH1 3.69Å; E258-R1087 PolarHBondContact OE1-NH1 3.4Å; L261-R1087 HydrophobicContact CD2-CB 3.84Å; L261-R1087 HydrophobicContact CG-CB 4.26Å; T262-R1087 PolarHBondContact OG1-NE 3.12Å; L265-R1087 HydrophobicContact CD1-CB 3.79Å; L265-R1087 HydrophobicContact CD1-CG 3.94Å; V272-R1087 HydrophobicContact CG1-CG 4.42Å; V272-R1087 HydrophobicContact CG2-CG 4.17Å; M1083-R1087 WeakPolarHBondContact O-CB 3.42Å; M1083-R1087 VanDerWaalsContact O-CG 3.26Å; M1083-R1087 WeakPolarHBondContact O-CG 3.21Å; M1083-R1087 PolarHBondContact O-N 2.79Å; A1085-R1087 VanDerWaalsContact C-N 3.33Å; A1085-R1087 PolarHBondContact O-N 3.4Å; R1087-F1089 VanDerWaalsContact C-N 3.35Å; R1087-F1089 PolarHBondContact O-N 2.94Å; R1087-A1090 PolarHBondContact O-N 3.32Å; R1087-F1091 PolarHBondContact O-N 3.16Å; R1087-F1091 VanDerWaalsContact O-N 3.16Å |
| 1088 | I | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 178.6 | -69.5 | 165.7 | 0 | 0 | 0 | 111 | L253 L261 I1047 M1050 L1051 M1080 T1084 A1085 F1091 | L253-I1088 HydrophobicContact CD2-CD1 4.49Å; L261-I1088 HydrophobicContact CD2-CG1 3.98Å; I1047-I1088 HydrophobicContact CD1-CD1 4.43Å; I1047-I1088 HydrophobicContact CG1-CD1 4.45Å; I1047-I1088 HydrophobicContact CG2-CD1 4.48Å; I1047-I1088 HydrophobicContact CG2-CG2 4.17Å; M1050-I1088 HydrophobicContact CB-CG2 3.75Å; M1050-I1088 HydrophobicContact CE-CB 4.09Å; M1050-I1088 HydrophobicContact CE-CD1 4.23Å; M1050-I1088 HydrophobicContact CE-CG2 3.88Å; M1050-I1088 HydrophobicContact SD-CD1 4.33Å; M1050-I1088 HydrophobicContact SD-CG2 4.21Å; L1051-I1088 HydrophobicContact CD2-CG2 3.92Å; L1051-I1088 WeakPolarHBondContact CD2-O 3.36Å; L1051-I1088 HydrophobicContact CG-CG2 4.26Å; M1080-I1088 HydrophobicContact CE-CD1 4.04Å; T1084-I1088 HydrophobicContact CG2-CD1 4.32Å; T1084-I1088 WeakPolarHBondContact O-CG1 3.2Å; T1084-I1088 PolarHBondContact O-N 3.07Å; T1084-I1088 VanDerWaalsContact O-N 3.13Å; A1085-I1088 PolarHBondContact O-N 3.05Å; I1088-F1091 WeakPolarHBondContact O-CB 3.36Å; I1088-F1091 PolarHBondContact O-N 3.41Å |
| 1089 | F | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.4 | -37.4 | 176.6 | -66.1 | -56.9 | 0 | 0 | 0 | 113.2 | M287 I288 M1050 A1057 V1070 I1072 A1085 A1086 R1087 F1091 R1092 | M287-F1089 HydrophobicContact CB-CD2 3.65Å; M287-F1089 HydrophobicContact CB-CE2 4.09Å; M287-F1089 HydrophobicContact CB-CG 4.48Å; M287-F1089 HydrophobicContact SD-CD2 4.44Å; M287-F1089 HydrophobicContact SD-CE2 4.23Å; I288-F1089 HydrophobicContact CG1-CB 4.43Å; I288-F1089 HydrophobicContact CG1-CD1 3.82Å; I288-F1089 HydrophobicContact CG1-CE1 4.31Å; I288-F1089 HydrophobicContact CG1-CG 4.13Å; M1050-F1089 HydrophobicContact CB-CE1 3.83Å; M1050-F1089 HydrophobicContact CB-CZ 4.19Å; M1050-F1089 HydrophobicContact CE-CD2 4.3Å; M1050-F1089 HydrophobicContact CE-CE1 4.12Å; M1050-F1089 HydrophobicContact CE-CE2 3.59Å; M1050-F1089 HydrophobicContact CE-CZ 3.48Å; M1050-F1089 VanDerWaalsContact CE-CZ 3.48Å; M1050-F1089 HydrophobicContact CG-CE1 4.25Å; M1050-F1089 HydrophobicContact CG-CZ 4.11Å; M1050-F1089 WeakPolarHBondContact O-CE1 3.26Å; A1057-F1089 HydrophobicContact CB-CD1 4.38Å; A1057-F1089 HydrophobicContact CB-CD2 4.21Å; A1057-F1089 HydrophobicContact CB-CE1 3.73Å; A1057-F1089 HydrophobicContact CB-CE2 3.54Å; A1057-F1089 HydrophobicContact CB-CZ 3.27Å; V1070-F1089 HydrophobicContact CG1-CE2 3.79Å; V1070-F1089 HydrophobicContact CG1-CZ 3.87Å; I1072-F1089 HydrophobicContact CG2-CZ 4.07Å; A1085-F1089 HydrophobicContact CB-CE2 4.34Å; A1085-F1089 WeakPolarHBondContact O-CD2 3.47Å; A1085-F1089 PolarHBondContact O-N 3.5Å; A1086-F1089 PolarHBondContact O-N 3.32Å; R1087-F1089 VanDerWaalsContact C-N 3.35Å; R1087-F1089 PolarHBondContact O-N 2.94Å; F1089-F1091 PolarHBondContact O-N 3.37Å; F1089-R1092 WeakPolarHBondContact O-CB 3.49Å; F1089-R1092 WeakPolarHBondContact O-CG 3.15Å; F1089-R1092 PolarHBondContact O-N 3.04Å; F1089-R1092 VanDerWaalsContact O-N 3.16Å |
| 1090 | A | 92.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.2 | -17.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L265 V272 A1086 R1087 P1093 | L265-A1090 HydrophobicContact CD1-CB 4.49Å; L265-A1090 HydrophobicContact CD2-CB 3.99Å; V272-A1090 HydrophobicContact CG2-CB 4.31Å; A1086-A1090 VanDerWaalsContact O-CB 3.23Å; A1086-A1090 WeakPolarHBondContact O-CB 3.36Å; A1086-A1090 PolarHBondContact O-N 3.13Å; R1087-A1090 PolarHBondContact O-N 3.32Å; A1090-P1093 WeakPolarHBondContact O-CD 3.41Å |
| 1091 | F | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -21.7 | 175.2 | -166.9 | -125.3 | 0 | 0 | 0 | 113.9 | L261 V264 L265 L1051 R1087 I1088 F1089 A1094 L1095 V1119 V1122 L1123 L1126 | L261-F1091 HydrophobicContact CD1-CB 3.93Å; L261-F1091 HydrophobicContact CD1-CD1 4.47Å; L261-F1091 HydrophobicContact CD1-CD2 3.75Å; L261-F1091 HydrophobicContact CD1-CE2 4.37Å; L261-F1091 HydrophobicContact CD1-CG 3.81Å; V264-F1091 HydrophobicContact CG1-CE2 4.05Å; L265-F1091 HydrophobicContact CD2-CB 4.35Å; L265-F1091 HydrophobicContact CD2-CD2 4.43Å; L1051-F1091 HydrophobicContact CD2-CB 4.39Å; L1051-F1091 HydrophobicContact CD2-CD1 3.98Å; R1087-F1091 PolarHBondContact O-N 3.16Å; R1087-F1091 VanDerWaalsContact O-N 3.16Å; I1088-F1091 WeakPolarHBondContact O-CB 3.36Å; I1088-F1091 PolarHBondContact O-N 3.41Å; F1089-F1091 PolarHBondContact O-N 3.37Å; F1091-A1094 HydrophobicContact CD2-CB 4.18Å; F1091-A1094 HydrophobicContact CE2-CB 4.25Å; F1091-A1094 WeakPolarHBondContact O-CB 3.33Å; F1091-A1094 PolarHBondContact O-N 3.14Å; F1091-L1095 HydrophobicContact CD1-CD1 3.81Å; F1091-L1095 HydrophobicContact CD1-CD2 4.46Å; F1091-L1095 HydrophobicContact CD1-CG 4.08Å; F1091-L1095 HydrophobicContact CE1-CD1 3.96Å; F1091-L1095 HydrophobicContact CE1-CD2 3.85Å; F1091-L1095 HydrophobicContact CE1-CG 3.97Å; F1091-L1095 HydrophobicContact CZ-CD2 4.26Å; F1091-L1095 PolarHBondContact O-N 3.14Å; F1091-V1119 HydrophobicContact CE2-CG1 4.13Å; F1091-V1119 HydrophobicContact CE2-CG2 4.34Å; F1091-V1119 HydrophobicContact CZ-CB 4.43Å; F1091-V1119 HydrophobicContact CZ-CG1 3.83Å; F1091-V1119 WeakPolarHBondContact CZ-O 3.45Å; F1091-V1122 HydrophobicContact CE1-CG1 4.14Å; F1091-V1122 HydrophobicContact CE2-CB 4.35Å; F1091-V1122 HydrophobicContact CE2-CG1 3.99Å; F1091-V1122 HydrophobicContact CZ-CB 3.96Å; F1091-V1122 HydrophobicContact CZ-CG1 3.7Å; F1091-L1123 HydrophobicContact CE1-CB 4.23Å; F1091-L1123 HydrophobicContact CE1-CD1 4.36Å; F1091-L1126 HydrophobicContact CD1-CD1 3.92Å; F1091-L1126 HydrophobicContact CE1-CD1 3.96Å |
| 1092 | R | 93.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 16 Ų | 16 | 15% | 0.147 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | -177.5 | -60.2 | -179.7 | 69 | 177.7 | -2.9 | 113.2 | M1050 L1051 C1054 F1089 A1094 L1095 E1096 | M1050-R1092 WeakPolarHBondContact O-CD 3.26Å; L1051-R1092 HydrophobicContact CD2-CG 4.17Å; L1051-R1092 PolarHBondContact O-NE 2.82Å; C1054-R1092 VanDerWaalsContact O-CZ 3.3Å; C1054-R1092 PolarHBondContact O-NH1 3.36Å; C1054-R1092 PolarHBondContact O-NH2 2.77Å; C1054-R1092 PolarHBondContact SG-NH1 3.15Å; F1089-R1092 WeakPolarHBondContact O-CB 3.49Å; F1089-R1092 WeakPolarHBondContact O-CG 3.15Å; F1089-R1092 PolarHBondContact O-N 3.04Å; F1089-R1092 VanDerWaalsContact O-N 3.16Å; R1092-A1094 VanDerWaalsContact C-N 3.27Å; R1092-A1094 PolarHBondContact O-N 2.75Å; R1092-L1095 WeakPolarHBondContact O-CB 3.31Å; R1092-L1095 PolarHBondContact O-N 2.96Å; R1092-L1095 VanDerWaalsContact O-N 3.11Å; R1092-E1096 PolarHBondContact O-N 3.01Å |
| 1093 | P | 91.3 | Very high | 93 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 5% | 0.045 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -50.5 | -35.7 | 168.7 | -34.6 | 38.5 | 0 | 0 | 0 | 116.3 | L270 Y291 A1090 A1097 | L270-P1093 HydrophobicContact CD2-CB 3.73Å; L270-P1093 HydrophobicContact CD2-CG 4.27Å; Y291-P1093 WeakPolarHBondContact O-CB 3.27Å; Y291-P1093 WeakPolarHBondContact O-CG 3.43Å; A1090-P1093 WeakPolarHBondContact O-CD 3.41Å; P1093-A1097 VanDerWaalsContact O-CB 3.28Å; P1093-A1097 WeakPolarHBondContact O-CB 3.43Å; P1093-A1097 PolarHBondContact O-N 3.41Å |
| 1094 | A | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L268 L270 L293 F1091 R1092 A1097 L1098 V1119 | L268-A1094 HydrophobicContact CD1-CB 3.84Å; L270-A1094 HydrophobicContact CD1-CB 4.01Å; L293-A1094 HydrophobicContact CD1-CB 4.33Å; F1091-A1094 HydrophobicContact CD2-CB 4.18Å; F1091-A1094 HydrophobicContact CE2-CB 4.25Å; F1091-A1094 WeakPolarHBondContact O-CB 3.33Å; F1091-A1094 PolarHBondContact O-N 3.14Å; R1092-A1094 VanDerWaalsContact C-N 3.27Å; R1092-A1094 PolarHBondContact O-N 2.75Å; A1094-A1097 PolarHBondContact O-N 2.85Å; A1094-L1098 WeakPolarHBondContact O-CB 3.34Å; A1094-L1098 PolarHBondContact O-N 2.86Å; A1094-V1119 HydrophobicContact CB-CG1 4.17Å; A1094-V1119 HydrophobicContact CB-CG2 3.94Å |
| 1095 | L | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | 176.8 | -60.9 | 172.3 | 0 | 0 | 0 | 111.6 | F850 L1051 F1052 F1091 R1092 L1099 V1119 L1123 | F850-L1095 HydrophobicContact CZ-CB 4.22Å; F850-L1095 VanDerWaalsContact CZ-O 3.24Å; F850-L1095 WeakPolarHBondContact CZ-O 3.09Å; L1051-L1095 HydrophobicContact CB-CD1 4.36Å; L1051-L1095 HydrophobicContact CD1-CD1 4.33Å; L1051-L1095 HydrophobicContact CD2-CD1 4.02Å; L1051-L1095 HydrophobicContact CG-CD1 4.48Å; F1052-L1095 HydrophobicContact CE1-CB 4.39Å; F1052-L1095 HydrophobicContact CE1-CD1 4.42Å; F1052-L1095 HydrophobicContact CE2-CD1 4.08Å; F1052-L1095 HydrophobicContact CZ-CB 4.11Å; F1052-L1095 HydrophobicContact CZ-CD1 3.71Å; F1052-L1095 HydrophobicContact CZ-CG 4.35Å; F1091-L1095 HydrophobicContact CD1-CD1 3.81Å; F1091-L1095 HydrophobicContact CD1-CD2 4.46Å; F1091-L1095 HydrophobicContact CD1-CG 4.08Å; F1091-L1095 HydrophobicContact CE1-CD1 3.96Å; F1091-L1095 HydrophobicContact CE1-CD2 3.85Å; F1091-L1095 HydrophobicContact CE1-CG 3.97Å; F1091-L1095 HydrophobicContact CZ-CD2 4.26Å; F1091-L1095 PolarHBondContact O-N 3.14Å; R1092-L1095 WeakPolarHBondContact O-CB 3.31Å; R1092-L1095 PolarHBondContact O-N 2.96Å; R1092-L1095 VanDerWaalsContact O-N 3.11Å; L1095-L1099 PolarHBondContact O-N 2.83Å; L1095-V1119 HydrophobicContact CD2-CG1 3.89Å; L1095-L1123 HydrophobicContact CD1-CD1 4.06Å; L1095-L1123 HydrophobicContact CD2-CB 4.32Å; L1095-L1123 HydrophobicContact CD2-CD1 4.1Å; L1095-L1123 HydrophobicContact CD2-CD2 3.95Å; L1095-L1123 HydrophobicContact CD2-CG 4.35Å |
| 1096 | E | 91.2 | Very high | 93.2 | Very high | 69 Ų | 69 | 24 Ų | 24 | 32% | 0.322 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 171.6 | -71.8 | -155 | -171.9 | 0 | 0 | 112.3 | K820 R1092 L1098 L1099 V1100 | K820-E1096 VanDerWaalsContact CE-OE2 3.28Å; K820-E1096 WeakPolarHBondContact CE-OE2 3.3Å; K820-E1096 IonicContact NZ-OE2 2.78Å; K820-E1096 PolarHBondContact NZ-OE2 2.84Å; R1092-E1096 PolarHBondContact O-N 3.01Å; E1096-L1098 VanDerWaalsContact C-N 3.28Å; E1096-L1098 PolarHBondContact O-N 2.95Å; E1096-L1099 PolarHBondContact O-N 2.62Å; E1096-V1100 WeakPolarHBondContact O-CB 3.47Å; E1096-V1100 VanDerWaalsContact O-CG2 3.32Å; E1096-V1100 WeakPolarHBondContact O-CG2 3.46Å; E1096-V1100 PolarHBondContact O-N 2.89Å |
| 1097 | A | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L293 V294 P1093 A1094 V1100 R1101 | L293-A1097 HydrophobicContact CB-CB 3.77Å; V294-A1097 HydrophobicContact CB-CB 4.03Å; V294-A1097 HydrophobicContact CG2-CB 3.97Å; P1093-A1097 VanDerWaalsContact O-CB 3.28Å; P1093-A1097 WeakPolarHBondContact O-CB 3.43Å; P1093-A1097 PolarHBondContact O-N 3.41Å; A1094-A1097 PolarHBondContact O-N 2.85Å; A1097-V1100 PolarHBondContact O-N 3.11Å; A1097-R1101 WeakPolarHBondContact O-CB 3.3Å; A1097-R1101 WeakPolarHBondContact O-CD 3.35Å; A1097-R1101 WeakPolarHBondContact O-CG 3.3Å; A1097-R1101 PolarHBondContact O-N 2.82Å |
| 1098 | L | 93.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.5 | -177.8 | 57.7 | 0 | 0 | 0 | 112 | F850 V853 A1094 E1096 T1102 D1116 V1119 I1120 | F850-L1098 HydrophobicContact CE2-CB 4.47Å; F850-L1098 HydrophobicContact CE2-CD2 4.06Å; F850-L1098 HydrophobicContact CE2-CG 4.16Å; V853-L1098 HydrophobicContact CG1-CD1 3.76Å; V853-L1098 HydrophobicContact CG1-CD2 3.94Å; V853-L1098 HydrophobicContact CG1-CG 3.86Å; A1094-L1098 WeakPolarHBondContact O-CB 3.34Å; A1094-L1098 PolarHBondContact O-N 2.86Å; E1096-L1098 VanDerWaalsContact C-N 3.28Å; E1096-L1098 PolarHBondContact O-N 2.95Å; L1098-T1102 WeakPolarHBondContact O-CB 3.46Å; L1098-T1102 PolarHBondContact O-N 2.8Å; L1098-T1102 VanDerWaalsContact O-N 3.09Å; L1098-T1102 PolarHBondContact O-OG1 2.9Å; L1098-D1116 HydrophobicContact CD1-CB 3.7Å; L1098-V1119 HydrophobicContact CD2-CG1 4.1Å; L1098-I1120 HydrophobicContact CD2-CD1 4.37Å; L1098-I1120 HydrophobicContact CD2-CG1 3.84Å |
| 1099 | L | 93.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 174.2 | 178.8 | 64.3 | 0 | 0 | 0 | 112.4 | K846 I849 F850 L1095 E1096 T1102 C1103 | K846-L1099 HydrophobicContact CD-CD2 4.22Å; K846-L1099 HydrophobicContact CG-CD2 3.81Å; I849-L1099 HydrophobicContact CB-CD1 4.38Å; I849-L1099 HydrophobicContact CG2-CD1 3.74Å; F850-L1099 HydrophobicContact CB-CD1 4.03Å; F850-L1099 HydrophobicContact CD1-CD2 4.5Å; F850-L1099 HydrophobicContact CD2-CB 4.42Å; F850-L1099 HydrophobicContact CD2-CD1 4.43Å; F850-L1099 HydrophobicContact CE2-CB 4.34Å; F850-L1099 HydrophobicContact CG-CD1 4.15Å; F850-L1099 HydrophobicContact CZ-CB 4.39Å; L1095-L1099 PolarHBondContact O-N 2.83Å; E1096-L1099 PolarHBondContact O-N 2.62Å; L1099-T1102 WeakPolarHBondContact O-CB 3.4Å; L1099-T1102 PolarHBondContact O-N 2.72Å; L1099-C1103 PolarHBondContact O-N 3.33Å; L1099-C1103 PolarHBondContact O-SG 2.84Å |
| 1100 | V | 94 | Very high | 92.7 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 178.5 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | V294 F296 E1096 A1097 T1102 C1103 L1104 | V294-V1100 HydrophobicContact CB-CG1 4.19Å; V294-V1100 HydrophobicContact CG1-CG1 3.68Å; F296-V1100 HydrophobicContact CD1-CG1 3.93Å; F296-V1100 HydrophobicContact CE1-CB 4.18Å; F296-V1100 HydrophobicContact CE1-CG1 3.77Å; F296-V1100 HydrophobicContact CE1-CG2 4.22Å; F296-V1100 HydrophobicContact CE2-CG2 4.03Å; F296-V1100 HydrophobicContact CZ-CB 4.22Å; F296-V1100 HydrophobicContact CZ-CG1 4.26Å; F296-V1100 HydrophobicContact CZ-CG2 3.86Å; E1096-V1100 WeakPolarHBondContact O-CB 3.47Å; E1096-V1100 VanDerWaalsContact O-CG2 3.32Å; E1096-V1100 WeakPolarHBondContact O-CG2 3.46Å; E1096-V1100 PolarHBondContact O-N 2.89Å; A1097-V1100 PolarHBondContact O-N 3.11Å; V1100-T1102 VanDerWaalsContact C-N 3.33Å; V1100-T1102 PolarHBondContact O-N 3.05Å; V1100-C1103 PolarHBondContact O-N 2.83Å; V1100-L1104 HydrophobicContact CG1-CD1 3.79Å; V1100-L1104 WeakPolarHBondContact O-CB 3.3Å; V1100-L1104 WeakPolarHBondContact O-CG 3.49Å; V1100-L1104 PolarHBondContact O-N 3.32Å |
| 1101 | R | 93.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 19% | 0.189 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.6 | -47.3 | 173 | -72.2 | 163.4 | -175 | 147.5 | 3.3 | 111.1 | A1097 C1103 L1104 R1105 R1113 E1115 D1116 | A1097-R1101 WeakPolarHBondContact O-CB 3.3Å; A1097-R1101 WeakPolarHBondContact O-CD 3.35Å; A1097-R1101 WeakPolarHBondContact O-CG 3.3Å; A1097-R1101 PolarHBondContact O-N 2.82Å; R1101-C1103 PolarHBondContact O-N 2.82Å; R1101-L1104 PolarHBondContact O-N 3.35Å; R1101-R1105 PolarHBondContact O-N 3.08Å; R1101-R1113 VanDerWaalsContact NH1-NH2 3.17Å; R1101-E1115 IonicContact NH2-OE2 2.65Å; R1101-D1116 IonicContact CZ-OD1 3.95Å; R1101-D1116 IonicContact NE-OD1 3.62Å; R1101-D1116 IonicContact NH1-OD1 2.89Å; R1101-D1116 PolarHBondContact NH1-OD1 3.33Å |
| 1102 | T | 94 | Very high | 92.3 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | I849 V853 F953 L1098 L1099 V1100 R1105 P1106 V1109 | I849-T1102 HydrophobicContact CG2-CG2 4.19Å; V853-T1102 HydrophobicContact CG2-CG2 3.79Å; V853-T1102 WeakPolarHBondContact CG2-OG1 3.43Å; F953-T1102 HydrophobicContact CE1-CG2 3.73Å; F953-T1102 HydrophobicContact CZ-CG2 4.29Å; L1098-T1102 WeakPolarHBondContact O-CB 3.46Å; L1098-T1102 PolarHBondContact O-N 2.8Å; L1098-T1102 VanDerWaalsContact O-N 3.09Å; L1098-T1102 PolarHBondContact O-OG1 2.9Å; L1099-T1102 WeakPolarHBondContact O-CB 3.4Å; L1099-T1102 PolarHBondContact O-N 2.72Å; V1100-T1102 VanDerWaalsContact C-N 3.33Å; V1100-T1102 PolarHBondContact O-N 3.05Å; T1102-R1105 CarbonylContact O-C 3.59Å; T1102-P1106 VanDerWaalsContact O-CA 3.31Å; T1102-P1106 WeakPolarHBondContact O-CA 3.26Å; T1102-P1106 VanDerWaalsContact O-N 3.15Å; T1102-V1109 HydrophobicContact CG2-CG2 3.74Å |
| 1103 | C | 94.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.5 | -25.8 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | F296 P830 L831 I834 L1099 V1100 R1101 | F296-C1103 HydrophobicContact CE1-CB 3.79Å; F296-C1103 HydrophobicContact CZ-CB 3.75Å; P830-C1103 HydrophobicContact CB-CB 4.3Å; P830-C1103 WeakPolarHBondContact CB-O 3.25Å; L831-C1103 HydrophobicContact CB-CB 4.31Å; I834-C1103 HydrophobicContact CD1-CB 4.19Å; L1099-C1103 PolarHBondContact O-N 3.33Å; L1099-C1103 PolarHBondContact O-SG 2.84Å; V1100-C1103 PolarHBondContact O-N 2.83Å; R1101-C1103 PolarHBondContact O-N 2.82Å |
| 1104 | L | 93.5 | Very high | 92.2 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 46% | 0.461 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.4 | -35.6 | 175.1 | -75.5 | 164.7 | 0 | 0 | 0 | 112.4 | V294 F296 P830 V1100 R1101 | V294-L1104 HydrophobicContact CG1-CD1 4.45Å; F296-L1104 HydrophobicContact CD1-CD2 4.34Å; F296-L1104 HydrophobicContact CD1-CG 4.26Å; F296-L1104 HydrophobicContact CE1-CG 4.23Å; P830-L1104 HydrophobicContact CG-CD2 3.89Å; V1100-L1104 HydrophobicContact CG1-CD1 3.79Å; V1100-L1104 WeakPolarHBondContact O-CB 3.3Å; V1100-L1104 WeakPolarHBondContact O-CG 3.49Å; V1100-L1104 PolarHBondContact O-N 3.32Å; R1101-L1104 PolarHBondContact O-N 3.35Å |
| 1105 | R | 92.4 | Very high | 92.1 | Very high | 149 Ų | 149 | 53.7 Ų | 53.7 | 56% | 0.562 | 27% | 0.268 | S | S | * | . | trans | -142.3 | 77.2 | -178 | -66.6 | -167.5 | 64.7 | -161.2 | -9.7 | 111.6 | R1101 T1102 E1107 A1108 | R1101-R1105 PolarHBondContact O-N 3.08Å; T1102-R1105 CarbonylContact O-C 3.59Å; R1105-E1107 VanDerWaalsContact CA-OE2 3.29Å; R1105-E1107 WeakPolarHBondContact CA-OE2 3.49Å; R1105-E1107 IonicContact CZ-OE1 3.34Å; R1105-E1107 IonicContact NE-OE1 2.78Å; R1105-E1107 PolarHBondContact NE-OE1 3.14Å; R1105-E1107 IonicContact NH2-OE1 3.9Å; R1105-E1107 PolarHBondContact NH2-OE1 2.88Å; R1105-E1107 PolarHBondContact O-N 2.84Å; R1105-E1107 VanDerWaalsContact O-N 3.16Å; R1105-A1108 HydrophobicContact CB-CB 4.12Å; R1105-A1108 WeakPolarHBondContact O-CB 3.27Å; R1105-A1108 PolarHBondContact O-N 2.71Å; R1105-A1108 VanDerWaalsContact O-N 3.07Å | ||
| 1106 | P | 93 | Very high | 92 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.4 | -28.2 | -178.5 | -28 | 37.4 | 0 | 0 | 0 | 114.7 | G952 F953 P954 T1102 A1108 V1109 | G952-P1106 CarbonylContact O-C 3.53Å; F953-P1106 HydrophobicContact CD1-CB 4.2Å; F953-P1106 HydrophobicContact CD2-CB 3.67Å; F953-P1106 HydrophobicContact CD2-CG 4.33Å; F953-P1106 HydrophobicContact CE1-CB 4.19Å; F953-P1106 HydrophobicContact CE2-CB 3.66Å; F953-P1106 HydrophobicContact CE2-CG 3.89Å; F953-P1106 HydrophobicContact CG-CB 3.94Å; F953-P1106 HydrophobicContact CZ-CB 3.92Å; F953-P1106 HydrophobicContact CZ-CG 4.16Å; P954-P1106 WeakPolarHBondContact CD-O 3.21Å; T1102-P1106 VanDerWaalsContact O-CA 3.31Å; T1102-P1106 WeakPolarHBondContact O-CA 3.26Å; T1102-P1106 VanDerWaalsContact O-N 3.15Å; P1106-A1108 VanDerWaalsContact C-N 3.26Å; P1106-A1108 PolarHBondContact O-N 3.07Å; P1106-V1109 WeakPolarHBondContact O-CG2 3.45Å; P1106-V1109 PolarHBondContact O-N 2.95Å |
| 1107 | E | 90.9 | Very high | 92.1 | Very high | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -70.3 | -23.8 | 179.7 | 79.5 | -68.4 | 172.8 | 0 | 0 | 112.7 | G952 R1105 V1109 A1110 | G952-E1107 VanDerWaalsContact O-CA 3.31Å; G952-E1107 WeakPolarHBondContact O-CA 3.35Å; G952-E1107 PolarHBondContact O-N 2.87Å; R1105-E1107 VanDerWaalsContact CA-OE2 3.29Å; R1105-E1107 WeakPolarHBondContact CA-OE2 3.49Å; R1105-E1107 IonicContact CZ-OE1 3.34Å; R1105-E1107 IonicContact NE-OE1 2.78Å; R1105-E1107 PolarHBondContact NE-OE1 3.14Å; R1105-E1107 IonicContact NH2-OE1 3.9Å; R1105-E1107 PolarHBondContact NH2-OE1 2.88Å; R1105-E1107 PolarHBondContact O-N 2.84Å; R1105-E1107 VanDerWaalsContact O-N 3.16Å; E1107-V1109 PolarHBondContact O-N 2.82Å; E1107-A1110 PolarHBondContact O-N 3.02Å |
| 1108 | A | 90.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -73.7 | -5.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1105 P1106 A1110 D1111 | R1105-A1108 HydrophobicContact CB-CB 4.12Å; R1105-A1108 WeakPolarHBondContact O-CB 3.27Å; R1105-A1108 PolarHBondContact O-N 2.71Å; R1105-A1108 VanDerWaalsContact O-N 3.07Å; P1106-A1108 VanDerWaalsContact C-N 3.26Å; P1106-A1108 PolarHBondContact O-N 3.07Å; A1108-A1110 PolarHBondContact O-N 3.32Å; A1108-D1111 CarbonylContact O-C 3.34Å; A1108-D1111 VanDerWaalsContact O-C 3.29Å; A1108-D1111 PolarHBondContact O-N 3.44Å; A1108-D1111 VanDerWaalsContact O-N 3.15Å |
| 1109 | V | 90.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -63.5 | -23 | 173.7 | 174.8 | 0 | 0 | 0 | 0 | 112 | C852 P954 T1102 P1106 E1107 | C852-V1109 WeakPolarHBondContact O-CG1 3.45Å; P954-V1109 HydrophobicContact CG-CB 3.95Å; P954-V1109 HydrophobicContact CG-CG1 4.11Å; T1102-V1109 HydrophobicContact CG2-CG2 3.74Å; P1106-V1109 WeakPolarHBondContact O-CG2 3.45Å; P1106-V1109 PolarHBondContact O-N 2.95Å; E1107-V1109 PolarHBondContact O-N 2.82Å |
| 1110 | A | 88.8 | Confident | 92.4 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -76.8 | -20.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | P954 E1107 A1108 | P954-A1110 HydrophobicContact CB-CB 4.1Å; P954-A1110 HydrophobicContact CG-CB 4.09Å; E1107-A1110 PolarHBondContact O-N 3.02Å; A1108-A1110 PolarHBondContact O-N 3.32Å |
| 1111 | D | 90.9 | Very high | 92.4 | Very high | 139 Ų | 139 | 61.8 Ų | 61.8 | 74% | 0.743 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -142.7 | 76.6 | -176.2 | -172.2 | 24.1 | 0 | 0 | 0 | 109.5 | A1108 | A1108-D1111 CarbonylContact O-C 3.34Å; A1108-D1111 VanDerWaalsContact O-C 3.29Å; A1108-D1111 PolarHBondContact O-N 3.44Å; A1108-D1111 VanDerWaalsContact O-N 3.15Å |
| 1112 | L | 89.2 | Confident | 92.5 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | trans | -76.8 | 135.2 | -176.2 | -67.1 | 173 | 0 | 0 | 0 | 111.1 | V853 I1120 | V853-L1112 HydrophobicContact CG1-CD1 4.18Å; L1112-I1120 HydrophobicContact CD1-CD1 3.56Å | ||
| 1113 | R | 90.7 | Very high | 92.6 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | trans | -60.5 | 149.1 | 177.9 | -48.7 | 179 | -56 | 118.7 | 21.6 | 110.5 | R1101 E1115 D1116 Q1117 | R1101-R1113 VanDerWaalsContact NH1-NH2 3.17Å; R1113-E1115 IonicContact CZ-OE1 3.71Å; R1113-E1115 IonicContact CZ-OE2 3.06Å; R1113-E1115 IonicContact NH1-OE1 2.69Å; R1113-E1115 PolarHBondContact NH1-OE1 2.94Å; R1113-E1115 IonicContact NH1-OE2 3.16Å; R1113-E1115 PolarHBondContact NH1-OE2 2.77Å; R1113-E1115 IonicContact NH2-OE2 3.17Å; R1113-E1115 PolarHBondContact NH2-OE2 3.33Å; R1113-E1115 PolarHBondContact O-N 3.29Å; R1113-E1115 VanDerWaalsContact O-N 3.14Å; R1113-D1116 IonicContact CZ-OD2 2.73Å; R1113-D1116 IonicContact NE-OD2 2.81Å; R1113-D1116 PolarHBondContact NE-OD2 3.4Å; R1113-D1116 VanDerWaalsContact NH2-CG 3.28Å; R1113-D1116 IonicContact NH2-OD1 3.84Å; R1113-D1116 PolarHBondContact NH2-OD1 2.98Å; R1113-D1116 IonicContact NH2-OD2 3.96Å; R1113-D1116 PolarHBondContact NH2-OD2 2.77Å; R1113-D1116 WeakPolarHBondContact O-CA 3.5Å; R1113-D1116 WeakPolarHBondContact O-CB 3.47Å; R1113-D1116 PolarHBondContact O-N 3.31Å; R1113-Q1117 PolarHBondContact O-N 2.67Å | ||
| 1114 | E | 91.7 | Very high | 92.6 | Very high | 152 Ų | 152 | 62.5 Ų | 62.5 | 71% | 0.71 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.4 | -39.7 | -178.3 | -65 | -169.3 | -178.9 | 0 | 0 | 113.5 | D1116 Q1117 R1118 | E1114-D1116 PolarHBondContact O-N 2.84Å; E1114-Q1117 PolarHBondContact O-N 2.78Å; E1114-R1118 WeakPolarHBondContact O-CG 3.44Å; E1114-R1118 PolarHBondContact O-N 3.05Å |
| 1115 | E | 91.2 | Very high | 92.7 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.3 | -51.7 | 171.6 | -71 | 170 | -136.7 | 0 | 0 | 112.5 | L268 R1101 R1113 Q1117 R1118 V1119 | L268-E1115 HydrophobicContact CD2-CB 4.18Å; L268-E1115 HydrophobicContact CD2-CG 4.13Å; R1101-E1115 IonicContact NH2-OE2 2.65Å; R1113-E1115 IonicContact CZ-OE1 3.71Å; R1113-E1115 IonicContact CZ-OE2 3.06Å; R1113-E1115 IonicContact NH1-OE1 2.69Å; R1113-E1115 PolarHBondContact NH1-OE1 2.94Å; R1113-E1115 IonicContact NH1-OE2 3.16Å; R1113-E1115 PolarHBondContact NH1-OE2 2.77Å; R1113-E1115 IonicContact NH2-OE2 3.17Å; R1113-E1115 PolarHBondContact NH2-OE2 3.33Å; R1113-E1115 PolarHBondContact O-N 3.29Å; R1113-E1115 VanDerWaalsContact O-N 3.14Å; E1115-Q1117 VanDerWaalsContact C-N 3.31Å; E1115-Q1117 PolarHBondContact O-N 3Å; E1115-R1118 PolarHBondContact O-N 3.21Å; E1115-V1119 WeakPolarHBondContact O-CG2 3.44Å; E1115-V1119 PolarHBondContact O-N 3.19Å |
| 1116 | D | 92.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | -177.4 | -65 | -49.3 | 0 | 0 | 0 | 110 | L1098 R1101 R1113 E1114 V1119 I1120 | L1098-D1116 HydrophobicContact CD1-CB 3.7Å; R1101-D1116 IonicContact CZ-OD1 3.95Å; R1101-D1116 IonicContact NE-OD1 3.62Å; R1101-D1116 IonicContact NH1-OD1 2.89Å; R1101-D1116 PolarHBondContact NH1-OD1 3.33Å; R1113-D1116 IonicContact CZ-OD2 2.73Å; R1113-D1116 IonicContact NE-OD2 2.81Å; R1113-D1116 PolarHBondContact NE-OD2 3.4Å; R1113-D1116 VanDerWaalsContact NH2-CG 3.28Å; R1113-D1116 IonicContact NH2-OD1 3.84Å; R1113-D1116 PolarHBondContact NH2-OD1 2.98Å; R1113-D1116 IonicContact NH2-OD2 3.96Å; R1113-D1116 PolarHBondContact NH2-OD2 2.77Å; R1113-D1116 WeakPolarHBondContact O-CA 3.5Å; R1113-D1116 WeakPolarHBondContact O-CB 3.47Å; R1113-D1116 PolarHBondContact O-N 3.31Å; E1114-D1116 PolarHBondContact O-N 2.84Å; D1116-V1119 PolarHBondContact O-N 3.16Å; D1116-I1120 WeakPolarHBondContact O-CD1 3.35Å; D1116-I1120 VanDerWaalsContact O-CG1 3.29Å; D1116-I1120 WeakPolarHBondContact O-CG1 3.39Å; D1116-I1120 PolarHBondContact O-N 3.36Å |
| 1117 | Q | 93.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 174.7 | -171.2 | 55.1 | 88.1 | 0 | 0 | 112.9 | R1113 E1114 E1115 N1121 | R1113-Q1117 PolarHBondContact O-N 2.67Å; E1114-Q1117 PolarHBondContact O-N 2.78Å; E1115-Q1117 VanDerWaalsContact C-N 3.31Å; E1115-Q1117 PolarHBondContact O-N 3Å; Q1117-N1121 PolarHBondContact NE2-OD1 3.16Å; Q1117-N1121 WeakPolarHBondContact O-CB 3.37Å; Q1117-N1121 PolarHBondContact O-N 3.32Å; Q1117-N1121 VanDerWaalsContact O-N 3.09Å; Q1117-N1121 PolarHBondContact O-ND2 3.36Å |
| 1118 | R | 94.8 | Very high | 92.4 | Very high | 109 Ų | 109 | 50 Ų | 50 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 170.6 | -71.3 | -171.8 | -166.7 | -159 | 11.2 | 111.6 | D263 V264 N267 E1114 E1115 I1120 N1121 V1122 | D263-R1118 IonicContact OD2-NH1 3.11Å; D263-R1118 PolarHBondContact OD2-NH1 3.04Å; V264-R1118 HydrophobicContact CG2-CB 3.91Å; N267-R1118 PolarHBondContact ND2-NH1 3.46Å; E1114-R1118 WeakPolarHBondContact O-CG 3.44Å; E1114-R1118 PolarHBondContact O-N 3.05Å; E1115-R1118 PolarHBondContact O-N 3.21Å; R1118-I1120 VanDerWaalsContact C-N 3.35Å; R1118-I1120 PolarHBondContact O-N 2.67Å; R1118-N1121 PolarHBondContact O-N 2.95Å; R1118-N1121 VanDerWaalsContact O-N 3.14Å; R1118-V1122 PolarHBondContact O-N 3.42Å |
| 1119 | V | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | V264 L268 F1091 A1094 L1095 L1098 E1115 D1116 N1121 V1122 L1123 | V264-V1119 HydrophobicContact CG1-CG2 4Å; L268-V1119 HydrophobicContact CD1-CG2 3.7Å; F1091-V1119 HydrophobicContact CE2-CG1 4.13Å; F1091-V1119 HydrophobicContact CE2-CG2 4.34Å; F1091-V1119 HydrophobicContact CZ-CB 4.43Å; F1091-V1119 HydrophobicContact CZ-CG1 3.83Å; F1091-V1119 WeakPolarHBondContact CZ-O 3.45Å; A1094-V1119 HydrophobicContact CB-CG1 4.17Å; A1094-V1119 HydrophobicContact CB-CG2 3.94Å; L1095-V1119 HydrophobicContact CD2-CG1 3.89Å; L1098-V1119 HydrophobicContact CD2-CG1 4.1Å; E1115-V1119 WeakPolarHBondContact O-CG2 3.44Å; E1115-V1119 PolarHBondContact O-N 3.19Å; D1116-V1119 PolarHBondContact O-N 3.16Å; V1119-N1121 VanDerWaalsContact C-N 3.31Å; V1119-N1121 PolarHBondContact O-N 2.66Å; V1119-V1122 PolarHBondContact O-N 3.27Å; V1119-L1123 WeakPolarHBondContact O-CB 3.05Å; V1119-L1123 PolarHBondContact O-N 3.02Å |
| 1120 | I | 94.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 176 | -71.3 | 162.4 | 0 | 0 | 0 | 111.6 | V853 F854 L1098 L1112 D1116 R1118 L1123 R1124 | V853-I1120 HydrophobicContact CG1-CD1 3.77Å; V853-I1120 HydrophobicContact CG1-CG1 4.39Å; F854-I1120 HydrophobicContact CD1-CG1 4.42Å; F854-I1120 HydrophobicContact CD1-CG2 3.91Å; F854-I1120 HydrophobicContact CE1-CB 4.27Å; F854-I1120 HydrophobicContact CE1-CG1 3.91Å; F854-I1120 HydrophobicContact CE1-CG2 3.92Å; F854-I1120 HydrophobicContact CZ-CG1 4.5Å; L1098-I1120 HydrophobicContact CD2-CD1 4.37Å; L1098-I1120 HydrophobicContact CD2-CG1 3.84Å; L1112-I1120 HydrophobicContact CD1-CD1 3.56Å; D1116-I1120 WeakPolarHBondContact O-CD1 3.35Å; D1116-I1120 VanDerWaalsContact O-CG1 3.29Å; D1116-I1120 WeakPolarHBondContact O-CG1 3.39Å; D1116-I1120 PolarHBondContact O-N 3.36Å; R1118-I1120 VanDerWaalsContact C-N 3.35Å; R1118-I1120 PolarHBondContact O-N 2.67Å; I1120-L1123 PolarHBondContact O-N 2.67Å; I1120-R1124 WeakPolarHBondContact O-CG 3.37Å; I1120-R1124 PolarHBondContact O-N 3.09Å |
| 1121 | N | 94.8 | Very high | 91.2 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.4 | -36 | -178.5 | -70.6 | -18.4 | 0 | 0 | 0 | 112.9 | Q1117 R1118 V1119 R1124 Q1125 | Q1117-N1121 PolarHBondContact NE2-OD1 3.16Å; Q1117-N1121 WeakPolarHBondContact O-CB 3.37Å; Q1117-N1121 PolarHBondContact O-N 3.32Å; Q1117-N1121 VanDerWaalsContact O-N 3.09Å; Q1117-N1121 PolarHBondContact O-ND2 3.36Å; R1118-N1121 PolarHBondContact O-N 2.95Å; R1118-N1121 VanDerWaalsContact O-N 3.14Å; V1119-N1121 VanDerWaalsContact C-N 3.31Å; V1119-N1121 PolarHBondContact O-N 2.66Å; N1121-R1124 PolarHBondContact O-N 3.01Å; N1121-R1124 PolarHBondContact OD1-NH1 3.21Å; N1121-Q1125 WeakPolarHBondContact O-CG 3.47Å; N1121-Q1125 PolarHBondContact O-N 3.49Å; N1121-Q1125 VanDerWaalsContact O-N 3.12Å |
| 1122 | V | 95.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 171.2 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | N260 L261 V264 F1091 R1118 V1119 R1124 Q1125 L1126 | N260-V1122 HydrophobicContact CB-CG2 4.35Å; L261-V1122 HydrophobicContact CB-CG1 4.15Å; L261-V1122 HydrophobicContact CD1-CG1 3.94Å; V264-V1122 HydrophobicContact CB-CG2 4.12Å; V264-V1122 HydrophobicContact CG2-CG2 3.6Å; F1091-V1122 HydrophobicContact CE1-CG1 4.14Å; F1091-V1122 HydrophobicContact CE2-CB 4.35Å; F1091-V1122 HydrophobicContact CE2-CG1 3.99Å; F1091-V1122 HydrophobicContact CZ-CB 3.96Å; F1091-V1122 HydrophobicContact CZ-CG1 3.7Å; R1118-V1122 PolarHBondContact O-N 3.42Å; V1119-V1122 PolarHBondContact O-N 3.27Å; V1122-R1124 VanDerWaalsContact C-N 3.34Å; V1122-R1124 PolarHBondContact O-N 3.23Å; V1122-Q1125 PolarHBondContact O-N 2.72Å; V1122-L1126 HydrophobicContact CG1-CD1 3.76Å; V1122-L1126 HydrophobicContact CG1-CG 4.22Å; V1122-L1126 WeakPolarHBondContact O-CB 3.3Å; V1122-L1126 WeakPolarHBondContact O-CG 3.44Å; V1122-L1126 PolarHBondContact O-N 2.82Å |
| 1123 | L | 95.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 174.5 | -175.7 | 68.3 | 0 | 0 | 0 | 111.6 | F854 I975 T978 L1051 F1052 F1091 L1095 V1119 I1120 Q1125 L1126 C1127 | F854-L1123 HydrophobicContact CE1-CD2 3.75Å; F854-L1123 HydrophobicContact CZ-CD2 3.51Å; I975-L1123 HydrophobicContact CD1-CD2 4.16Å; I975-L1123 HydrophobicContact CD1-CG 4.15Å; T978-L1123 HydrophobicContact CG2-CD1 4.45Å; L1051-L1123 HydrophobicContact CD1-CD1 3.62Å; F1052-L1123 HydrophobicContact CE2-CD1 4.41Å; F1091-L1123 HydrophobicContact CE1-CB 4.23Å; F1091-L1123 HydrophobicContact CE1-CD1 4.36Å; L1095-L1123 HydrophobicContact CD1-CD1 4.06Å; L1095-L1123 HydrophobicContact CD2-CB 4.32Å; L1095-L1123 HydrophobicContact CD2-CD1 4.1Å; L1095-L1123 HydrophobicContact CD2-CD2 3.95Å; L1095-L1123 HydrophobicContact CD2-CG 4.35Å; V1119-L1123 WeakPolarHBondContact O-CB 3.05Å; V1119-L1123 PolarHBondContact O-N 3.02Å; I1120-L1123 PolarHBondContact O-N 2.67Å; L1123-Q1125 VanDerWaalsContact C-N 3.34Å; L1123-Q1125 PolarHBondContact O-N 3.35Å; L1123-L1126 PolarHBondContact O-N 3Å; L1123-C1127 WeakPolarHBondContact O-CB 3.14Å; L1123-C1127 PolarHBondContact O-N 3.1Å; L1123-C1127 PolarHBondContact O-SG 2.72Å |
| 1124 | R | 95 | Very high | 88.2 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.4 | -46.5 | 174.8 | -77.2 | 171.7 | 169 | 150.5 | -3.3 | 111.7 | I971 I975 I1120 N1121 V1122 C1127 S1128 | I971-R1124 HydrophobicContact CD1-CB 3.98Å; I971-R1124 HydrophobicContact CD1-CG 4.26Å; I971-R1124 VanDerWaalsContact CD1-O 3.27Å; I971-R1124 WeakPolarHBondContact CD1-O 3.46Å; I971-R1124 HydrophobicContact CG1-CB 3.99Å; I971-R1124 HydrophobicContact CG1-CG 3.86Å; I975-R1124 HydrophobicContact CD1-CG 3.97Å; I975-R1124 HydrophobicContact CG1-CG 4.14Å; I1120-R1124 WeakPolarHBondContact O-CG 3.37Å; I1120-R1124 PolarHBondContact O-N 3.09Å; N1121-R1124 PolarHBondContact O-N 3.01Å; N1121-R1124 PolarHBondContact OD1-NH1 3.21Å; V1122-R1124 VanDerWaalsContact C-N 3.34Å; V1122-R1124 PolarHBondContact O-N 3.23Å; R1124-C1127 PolarHBondContact O-N 3.04Å; R1124-S1128 PolarHBondContact O-N 3.48Å |
| 1125 | Q | 94.3 | Very high | 86 | Confident | 63 Ų | 63 | 50 Ų | 50 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 176.3 | -68.5 | 175.6 | 32.2 | 0 | 0 | 112 | V257 N260 N1121 V1122 L1123 C1127 S1128 A1131 | V257-Q1125 HydrophobicContact CG1-CB 3.92Å; V257-Q1125 HydrophobicContact CG2-CB 4.22Å; N260-Q1125 PolarHBondContact ND2-NE2 3.21Å; N260-Q1125 PolarHBondContact ND2-OE1 2.86Å; N1121-Q1125 WeakPolarHBondContact O-CG 3.47Å; N1121-Q1125 PolarHBondContact O-N 3.49Å; N1121-Q1125 VanDerWaalsContact O-N 3.12Å; V1122-Q1125 PolarHBondContact O-N 2.72Å; L1123-Q1125 VanDerWaalsContact C-N 3.34Å; L1123-Q1125 PolarHBondContact O-N 3.35Å; Q1125-C1127 VanDerWaalsContact C-N 3.26Å; Q1125-C1127 PolarHBondContact O-N 3.23Å; Q1125-S1128 PolarHBondContact O-N 2.81Å; Q1125-S1128 PolarHBondContact O-OG 2.97Å; Q1125-A1131 WeakPolarHBondContact O-CB 3.25Å |
| 1126 | L | 93.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -26.3 | -179.6 | -75.1 | 172.1 | 0 | 0 | 0 | 114.6 | L253 V257 L261 I1047 L1051 F1091 V1122 L1123 | L253-L1126 HydrophobicContact CD1-CD2 3.9Å; L253-L1126 HydrophobicContact CD2-CD2 4.31Å; V257-L1126 HydrophobicContact CG1-CD2 3.74Å; V257-L1126 HydrophobicContact CG1-CG 4.1Å; L261-L1126 HydrophobicContact CD1-CD1 4.35Å; L261-L1126 HydrophobicContact CD2-CD1 4.41Å; L261-L1126 HydrophobicContact CD2-CD2 4.29Å; I1047-L1126 HydrophobicContact CD1-CD2 4.34Å; I1047-L1126 HydrophobicContact CG2-CB 4.16Å; I1047-L1126 HydrophobicContact CG2-CD2 4.33Å; L1051-L1126 HydrophobicContact CD1-CD1 4.46Å; F1091-L1126 HydrophobicContact CD1-CD1 3.92Å; F1091-L1126 HydrophobicContact CE1-CD1 3.96Å; V1122-L1126 HydrophobicContact CG1-CD1 3.76Å; V1122-L1126 HydrophobicContact CG1-CG 4.22Å; V1122-L1126 WeakPolarHBondContact O-CB 3.3Å; V1122-L1126 WeakPolarHBondContact O-CG 3.44Å; V1122-L1126 PolarHBondContact O-N 2.82Å; L1123-L1126 PolarHBondContact O-N 3Å |
| 1127 | C | 89.7 | Confident | 80.6 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -91 | -11.3 | 178.9 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | T978 L1123 R1124 Q1125 | T978-C1127 PolarHBondContact OG1-SG 2.9Å; L1123-C1127 WeakPolarHBondContact O-CB 3.14Å; L1123-C1127 PolarHBondContact O-N 3.1Å; L1123-C1127 PolarHBondContact O-SG 2.72Å; R1124-C1127 PolarHBondContact O-N 3.04Å; Q1125-C1127 VanDerWaalsContact C-N 3.26Å; Q1125-C1127 PolarHBondContact O-N 3.23Å |
| 1128 | S | 87.8 | Confident | 77.9 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.1 | 149.4 | 178.9 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | R1124 Q1125 E1130 A1131 | R1124-S1128 PolarHBondContact O-N 3.48Å; Q1125-S1128 PolarHBondContact O-N 2.81Å; Q1125-S1128 PolarHBondContact O-OG 2.97Å; S1128-E1130 PolarHBondContact O-N 3.36Å; S1128-A1131 WeakPolarHBondContact O-CB 3.29Å; S1128-A1131 PolarHBondContact O-N 3.42Å; S1128-A1131 PolarHBondContact OG-N 2.98Å |
| 1129 | P | 79.1 | Confident | 75 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 31% | 0.312 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.9 | -21.7 | 171.7 | -24.3 | 35.1 | 0 | 0 | 0 | 114.1 | H969 A1131 | H969-P1129 WeakPolarHBondContact CE1-CD 3.26Å; P1129-A1131 PolarHBondContact O-N 3.48Å |
| 1130 | E | 81.9 | Confident | 72.1 | Confident | 143 Ų | 143 | 65.4 Ų | 65.4 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -78.1 | -7 | 175.9 | -60.5 | -175.9 | -176.8 | 0 | 0 | 113.1 | N254 S1128 L1132 | N254-E1130 PolarHBondContact ND2-O 3.24Å; N254-E1130 VanDerWaalsContact ND2-O 3.14Å; S1128-E1130 PolarHBondContact O-N 3.36Å; E1130-L1132 VanDerWaalsContact C-N 3.29Å; E1130-L1132 PolarHBondContact O-N 2.88Å |
| 1131 | A | 82.4 | Confident | 69.1 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -65.3 | -29.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L253 N254 I1047 Q1125 S1128 P1129 | L253-A1131 CarbonylContact C-O 3.52Å; L253-A1131 WeakPolarHBondContact CA-O 3.43Å; L253-A1131 HydrophobicContact CD1-CB 4.38Å; L253-A1131 WeakPolarHBondContact CD1-O 3.36Å; N254-A1131 WeakPolarHBondContact CB-O 3.28Å; N254-A1131 PolarHBondContact N-O 3.41Å; I1047-A1131 HydrophobicContact CD1-CB 4.31Å; Q1125-A1131 WeakPolarHBondContact O-CB 3.25Å; S1128-A1131 WeakPolarHBondContact O-CB 3.29Å; S1128-A1131 PolarHBondContact O-N 3.42Å; S1128-A1131 PolarHBondContact OG-N 2.98Å; P1129-A1131 PolarHBondContact O-N 3.48Å |
| 1132 | L | 83.2 | Confident | 66.3 | Low | 18 Ų | 18 | 70.4 Ų | 70.4 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 135 | 179.1 | -63.3 | -174.6 | 0 | 0 | 0 | 112.1 | V251 N252 Y1022 H1045 P1046 I1047 E1130 Q1134 | V251-L1132 HydrophobicContact CG1-CD1 4.37Å; V251-L1132 HydrophobicContact CG1-CD2 3.73Å; N252-L1132 WeakPolarHBondContact O-CA 3.48Å; Y1022-L1132 HydrophobicContact CE1-CD1 4.49Å; H1045-L1132 WeakPolarHBondContact NE2-CD1 3.33Å; H1045-L1132 WeakPolarHBondContact NE2-CG 3.3Å; P1046-L1132 HydrophobicContact CG-CD1 4.48Å; I1047-L1132 HydrophobicContact CD1-CD2 3.99Å; I1047-L1132 HydrophobicContact CG1-CD2 4.5Å; E1130-L1132 VanDerWaalsContact C-N 3.29Å; E1130-L1132 PolarHBondContact O-N 2.88Å; L1132-Q1134 PolarHBondContact O-N 2.88Å |
| 1133 | K | 69.8 | Low | 63.3 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | trans | -66.4 | 118 | 171.3 | -65.5 | 176 | 179.3 | 123.8 | 0 | 108.6 | N252 L253 S255 N1135 | N252-K1133 HydrophobicContact CB-CB 4.43Å; N252-K1133 PolarHBondContact O-N 3.12Å; L253-K1133 WeakPolarHBondContact O-CE 3.4Å; L253-K1133 PolarHBondContact O-NZ 3.35Å; S255-K1133 PolarHBondContact OG-NZ 3.21Å; K1133-N1135 PolarHBondContact O-N 3.2Å | ||
| 1134 | Q | 55.6 | Low | 60.6 | Low | 136 Ų | 136 | 81.5 Ų | 81.5 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | trans | -70.5 | 98.7 | -173.5 | -65.1 | -175.2 | 0.1 | 0 | 0 | 111.8 | L1132 F1138 | L1132-Q1134 PolarHBondContact O-N 2.88Å; Q1134-F1138 HydrophobicContact CG-CE2 4.14Å | ||
| 1135 | N | 44.3 | Very low | 57.8 | Low | 125 Ų | 125 | 84 Ų | 84 | 67% | 0.668 | 46% | 0.456 | S | S | * | . | trans | -90 | 5.9 | 176.7 | -85.9 | 2.2 | 0 | 0 | 0 | 114.2 | K1133 | K1133-N1135 PolarHBondContact O-N 3.2Š| ||
| 1136 | V | 39.1 | Very low | 55 | Low | 117 Ų | 117 | 83.1 Ų | 83.1 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -130.6 | 130.7 | -179.2 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | F1138 | V1136-F1138 PolarHBondContact O-N 3.2Š|
| 1137 | G | 32 | Very low | 52.2 | Low | 71 Ų | 71 | 87 Ų | 87 | 73% | 0.732 | 48% | 0.481 | S | S | * | . | trans | -64.6 | 121.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1139 | G1137-D1139 PolarHBondContact O-N 3.11Š| ||
| 1138 | F | 38 | Very low | 49.6 | Very low | 124 Ų | 124 | 91 Ų | 91 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | trans | -77.4 | 103.4 | 172.1 | -84 | -94.1 | 0 | 0 | 0 | 110.3 | Q1134 V1136 E1140 | Q1134-F1138 HydrophobicContact CG-CE2 4.14Å; V1136-F1138 PolarHBondContact O-N 3.2Å; F1138-E1140 PolarHBondContact O-N 3.45Å | ||
| 1139 | D | 33.4 | Very low | 47.2 | Very low | 111 Ų | 111 | 101.9 Ų | 101.9 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | trans | -59.6 | 128.1 | 157 | -69.3 | -45 | 0 | 0 | 0 | 108.4 | K1019 G1137 A1141 | K1019-D1139 IonicContact NZ-OD2 3.97Å; K1019-D1139 PolarHBondContact NZ-OD2 2.87Å; G1137-D1139 PolarHBondContact O-N 3.11Å; D1139-A1141 HydrophobicContact CB-CB 4.19Å; D1139-A1141 PolarHBondContact O-N 3.34Å | ||
| 1140 | E | 34.6 | Very low | 45 | Very low | 173 Ų | 173 | 107.2 Ų | 107.2 | 81% | 0.808 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -69 | 10.6 | 176.9 | -59.2 | -168.7 | 116.4 | 0 | 0 | 114 | F1138 N1142 | F1138-E1140 PolarHBondContact O-N 3.45Å; E1140-N1142 VanDerWaalsContact C-N 3.26Å; E1140-N1142 PolarHBondContact O-N 2.85Å |
| 1141 | A | 31.7 | Very low | 42.5 | Very low | 89 Ų | 89 | 112.4 Ų | 112.4 | 74% | 0.736 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -73.2 | -5.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D1139 | D1139-A1141 HydrophobicContact CB-CB 4.19Å; D1139-A1141 PolarHBondContact O-N 3.34Å |
| 1142 | N | 35.5 | Very low | 40.1 | Very low | 86 Ų | 86 | 119.5 Ų | 119.5 | 46% | 0.46 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -98.1 | 26.1 | 179.4 | -98.6 | -10.5 | 0 | 0 | 0 | 113.5 | K1019 E1140 F1144 | K1019-N1142 PolarHBondContact O-ND2 3.42Å; E1140-N1142 VanDerWaalsContact C-N 3.26Å; E1140-N1142 PolarHBondContact O-N 2.85Å; N1142-F1144 PolarHBondContact O-N 2.95Å |
| 1143 | N | 32.2 | Very low | 37.7 | Very low | 137 Ų | 137 | 121.3 Ų | 121.3 | 73% | 0.733 | 63% | 0.626 | S | S | * | * | trans | -67 | 73.2 | 167.1 | -82.4 | -27.9 | 0 | 0 | 0 | 111.7 | D1145 | N1143-D1145 PolarHBondContact O-N 3.08Š| ||
| 1144 | F | 39.5 | Very low | 35.7 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 44% | 0.443 | 65% | 0.654 | S | S | . | * | trans | -74.5 | 93.3 | 154.6 | -79.6 | -88.6 | 0 | 0 | 0 | 107.8 | M1015 N1142 S1146 | M1015-F1144 HydrophobicContact CE-CE2 3.8Å; M1015-F1144 HydrophobicContact CE-CZ 3.79Å; M1015-F1144 HydrophobicContact SD-CE2 4.46Å; M1015-F1144 HydrophobicContact SD-CZ 3.86Å; N1142-F1144 PolarHBondContact O-N 2.95Å; F1144-S1146 PolarHBondContact O-N 3.11Å; F1144-S1146 VanDerWaalsContact O-N 3.13Å | ||
| 1145 | D | 35.2 | Very low | 34.2 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 119.5 | 168.7 | -92 | -42.1 | 0 | 0 | 0 | 109.8 | N1143 | N1143-D1145 PolarHBondContact O-N 3.08Š|
| 1146 | S | 37.1 | Very low | 33.5 | Very low | 43 Ų | 43 | 120.7 Ų | 120.7 | 30% | 0.301 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 150 | 154.1 | -64.1 | 0 | 0 | 0 | 0 | 109 | F1144 | F1144-S1146 PolarHBondContact O-N 3.11Å; F1144-S1146 VanDerWaalsContact O-N 3.13Å |
| 1147 | P | 33.9 | Very low | 32.9 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -46.5 | 131.4 | -177.7 | 17.9 | -31.7 | 0 | 0 | 0 | 111.1 | ||
| 1148 | P | 34.5 | Very low | 32.7 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.3 | -144 | 19.9 | -34.3 | 0 | 0 | 0 | 112.9 | K1150 | P1148-K1150 VanDerWaalsContact C-N 3.3Å; P1148-K1150 WeakPolarHBondContact O-CB 3.48Å; P1148-K1150 WeakPolarHBondContact O-CG 3.15Å; P1148-K1150 PolarHBondContact O-N 3.4Å |
| 1149 | R | 38.8 | Very low | 32.2 | Very low | 243 Ų | 243 | 128.6 Ų | 128.6 | 92% | 0.917 | 67% | 0.671 | S | S | * | * | trans | -42.2 | 79.7 | -175.6 | -62.1 | -179 | -176.2 | 177.5 | 2 | 114.2 | ||||
| 1150 | K | 32 | Very low | 32 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | trans | -116.4 | 132.9 | 178.9 | -77.7 | -179.1 | 177.4 | -177.8 | 0 | 109.3 | P1148 F1152 | P1148-K1150 VanDerWaalsContact C-N 3.3Å; P1148-K1150 WeakPolarHBondContact O-CB 3.48Å; P1148-K1150 WeakPolarHBondContact O-CG 3.15Å; P1148-K1150 PolarHBondContact O-N 3.4Å; K1150-F1152 HydrophobicContact CB-CE2 4.37Å; K1150-F1152 PolarHBondContact O-N 2.78Å | ||
| 1151 | R | 29.6 | Very low | 31.7 | Very low | 252 Ų | 252 | 128.1 Ų | 128.1 | 95% | 0.951 | 67% | 0.672 | S | S | * | * | trans | -65.4 | 99.8 | -171.5 | -64.8 | 174.5 | 176.5 | 169.2 | -3.4 | 111.8 | ||||
| 1152 | F | 32.3 | Very low | 31.9 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | trans | -113.8 | 59.7 | 168.8 | -77.8 | -70.5 | 0 | 0 | 0 | 112.8 | R914 K1150 | R914-F1152 PolarHBondContact NH2-O 2.88Å; K1150-F1152 HydrophobicContact CB-CE2 4.37Å; K1150-F1152 PolarHBondContact O-N 2.78Å | ||
| 1153 | A | 32.4 | Very low | 31.4 | Very low | 55 Ų | 55 | 128.4 Ų | 128.4 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | trans | 65.1 | 76 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | S1155 | A1153-S1155 PolarHBondContact O-N 2.91Š| ||
| 1154 | T | 27.4 | Very low | 31.3 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 95% | 0.945 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -73 | 62.7 | 150.8 | 52.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1155 | S | 25.3 | Very low | 30.7 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | trans | -164.3 | 61 | -173.9 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | A1153 | A1153-S1155 PolarHBondContact O-N 2.91Š| ||
| 1156 | S | 30.1 | Very low | 30.2 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 56% | 0.559 | 72% | 0.717 | S | S | * | * | trans | -163.9 | 99.1 | 164.2 | 55.3 | 0 | 0 | 0 | 0 | 113 | Y1158 | S1156-Y1158 PolarHBondContact O-N 3.07Š| ||
| 1157 | N | 26.4 | Very low | 29.7 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | -78.2 | 89.8 | 158.5 | -82.4 | -1.9 | 0 | 0 | 0 | 108.5 | ||||
| 1158 | Y | 26.7 | Very low | 29.4 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -129.1 | 128.3 | 165.7 | -71.4 | -59.3 | 0 | 0 | 0 | 109.3 | S1156 L1160 | S1156-Y1158 PolarHBondContact O-N 3.07Å; Y1158-L1160 PolarHBondContact O-N 3.11Å | ||
| 1159 | P | 28.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 133.7 | 176.4 | 28.4 | -33.6 | 0 | 0 | 0 | 109.8 | L1161 | P1159-L1161 PolarHBondContact O-N 3.08Š| ||
| 1160 | L | 29.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -69.3 | 92.1 | 179.6 | -70.2 | 168.5 | 0 | 0 | 0 | 110.2 | D960 Y1158 | D960-L1160 HydrophobicContact CB-CD1 3.64Å; D960-L1160 VanDerWaalsContact O-CD1 3.28Å; D960-L1160 WeakPolarHBondContact O-CD1 3.13Å; Y1158-L1160 PolarHBondContact O-N 3.11Å | ||
| 1161 | L | 27.9 | Very low | 28.6 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 131.2 | 171.9 | -83.9 | 168.6 | 0 | 0 | 0 | 110.4 | P1159 | P1159-L1161 PolarHBondContact O-N 3.08Š| ||
| 1162 | S | 34.5 | Very low | 28.5 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -51.3 | 137.5 | -173.8 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | R1164 | S1162-R1164 VanDerWaalsContact C-N 3.31Å; S1162-R1164 PolarHBondContact O-N 3.49Å | ||
| 1163 | G | 26.2 | Very low | 28.4 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 94% | 0.938 | 77% | 0.773 | S | S | * | * | trans | -63.2 | 84.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1164 | R | 29 | Very low | 28.2 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -130 | 134.6 | 167.4 | -80.7 | -171.1 | 168.2 | -168.6 | -2.7 | 109.9 | S1162 H1166 | S1162-R1164 VanDerWaalsContact C-N 3.31Å; S1162-R1164 PolarHBondContact O-N 3.49Å; R1164-H1166 VanDerWaalsContact C-N 3.3Å; R1164-H1166 PolarHBondContact O-N 3.31Å | ||
| 1165 | S | 26.7 | Very low | 28.4 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 86.2 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | R1167 | S1165-R1167 PolarHBondContact O-N 3.26Š| ||
| 1166 | H | 26.6 | Very low | 28.6 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -77.6 | 98.1 | 168.2 | -94.9 | -64.8 | 0 | 0 | 0 | 109.6 | R1164 N1168 | R1164-H1166 VanDerWaalsContact C-N 3.3Å; R1164-H1166 PolarHBondContact O-N 3.31Å; H1166-N1168 PolarHBondContact O-N 3.37Å | ||
| 1167 | R | 26 | Very low | 28.6 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -49.5 | 130.3 | 156.7 | -76.6 | 177.5 | 165.5 | 175.7 | -6.1 | 108.7 | S1165 K1169 | S1165-R1167 PolarHBondContact O-N 3.26Å; R1167-K1169 PolarHBondContact O-N 2.98Å; R1167-K1169 VanDerWaalsContact O-N 3.17Å | ||
| 1168 | N | 27.5 | Very low | 28.7 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -54 | 120.8 | 175 | -90.1 | -18.2 | 0 | 0 | 0 | 110.9 | H1166 | H1166-N1168 PolarHBondContact O-N 3.37Š| ||
| 1169 | K | 29.2 | Very low | 28.9 | Very low | 204 Ų | 204 | 146.3 Ų | 146.3 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -109.1 | 101.3 | 149.3 | -79.2 | -166.6 | 173 | -170.5 | 0 | 106.8 | R1167 | R1167-K1169 PolarHBondContact O-N 2.98Å; R1167-K1169 VanDerWaalsContact O-N 3.17Å | ||
| 1170 | G | 27.9 | Very low | 28.9 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.5 | 165 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 1171 | C | 30.6 | Very low | 28.7 | Very low | 132 Ų | 132 | 149 Ų | 149 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 135.6 | 156.4 | -82.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1172 | E | 28.9 | Very low | 28.6 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.3 | 160.4 | -62.3 | 162 | 140.2 | 0 | 0 | 108 | ||
| 1173 | N | 30.3 | Very low | 28.2 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | -170.6 | 151.5 | 78.1 | -100.1 | -66.6 | 0 | 0 | 0 | 115.1 | |||||
| 1174 | L | 26.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 158.2 Ų | 158.2 | 62% | 0.623 | 80% | 0.798 | S | S | * | * | trans | 60.6 | 94.7 | 140.6 | -66.2 | 165.9 | 0 | 0 | 0 | 120.5 | ||||
| 1175 | Y | 32 | Very low | 28.1 | Very low | 210 Ų | 210 | 154.4 Ų | 154.4 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | 165.2 | 165.9 | 98.8 | -89.4 | -63.3 | 0 | 0 | 0 | 114.2 | |||||
| 1176 | S | 29.9 | Very low | 28.1 | Very low | 92 Ų | 92 | 155.2 Ų | 155.2 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -29.4 | 157.1 | 172.7 | -81.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1177 | E | 29 | Very low | 27.9 | Very low | 133 Ų | 133 | 153 Ų | 153 | 62% | 0.621 | 79% | 0.793 | S | S | * | * | cis | -166 | 156.3 | -4.5 | -119.8 | 168 | 106.7 | 0 | 0 | 112.8 | ||||
| 1178 | K | 29.9 | Very low | 28.3 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | trans | 48.4 | 129 | 147.2 | -72.8 | 164.5 | -177.1 | 157.4 | 0 | 122.7 | ||||
| 1179 | Q | 30.2 | Very low | 28.3 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | 71 | 151.4 | 156.4 | -57.9 | 170.6 | 13.7 | 0 | 0 | 116.4 | ||||
| 1180 | G | 28.1 | Very low | 28.2 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | cis | -167 | 176 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1181 | F | 24.7 | Very low | 28.1 | Very low | 224 Ų | 224 | 148.6 Ų | 148.6 | 98% | 0.982 | 78% | 0.775 | S | S | * | * | trans | -70.3 | 154 | -172.5 | -78.1 | -105.3 | 0 | 0 | 0 | 115.7 | ||||
| 1182 | G | 27.3 | Very low | 28.1 | Very low | 77 Ų | 77 | 147.1 Ų | 147.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -173 | 159.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1183 | R | 25.2 | Very low | 28.2 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -143.8 | 134.9 | -178.7 | -100.1 | -172 | 173.9 | -178.3 | -0.9 | 113.4 | ||||
| 1184 | Y | 26.2 | Very low | 28.2 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | 65.7 | 154.3 | 150.3 | -85.3 | -85.6 | 0 | 0 | 0 | 123.4 | ||||
| 1185 | T | 26.3 | Very low | 28.4 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 79.9 | 104.6 | 158.1 | 40.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1186 | N | 26.9 | Very low | 28.3 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 46.7 | 112 | 131.8 | -59.8 | 3.7 | 0 | 0 | 0 | 123.8 | ||||
| 1187 | C | 22 | Very low | 28.4 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | 63.5 | 161.1 | 124.6 | -64.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1188 | P | 35 | Very low | 28.5 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -140 | 177.4 | -29 | 37.1 | -18.5 | 0 | 0 | 0 | 116.3 | ||||
| 1189 | N | 26.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 87.7 | 142.6 | 140.4 | -110.5 | -8.4 | 0 | 0 | 0 | 123.4 | ||||
| 1190 | R | 27.3 | Very low | 28.5 | Very low | 227 Ų | 227 | 141.9 Ų | 141.9 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | 68 | 146.9 | 160.9 | -73.2 | -172.2 | 174.7 | -179.8 | -2.9 | 117.9 | ||||
| 1191 | S | 27.3 | Very low | 28.6 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | cis | -160.3 | -167.6 | -12.1 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1192 | T | 30.5 | Very low | 28.6 | Very low | 101 Ų | 101 | 141 Ų | 141 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | cis | -159.7 | 171 | 15.4 | -25.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1193 | D | 30.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 68.4 | 156.1 | 153.4 | -61.9 | -35.4 | 0 | 0 | 0 | 117.8 | ||||
| 1194 | S | 30 | Very low | 28.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | cis | -166.2 | 178.9 | -20.2 | 56.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1195 | E | 30.6 | Very low | 28.8 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | cis | -138.2 | 158.8 | 6 | -91.8 | -156.9 | 109.6 | 0 | 0 | 111.9 | ||||
| 1196 | Q | 31.2 | Very low | 28.8 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 31 | 139.4 | 136.7 | -53.9 | -160.2 | 52 | 0 | 0 | 121.6 | ||||
| 1197 | V | 30.9 | Very low | 29.2 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | -163.7 | 165.2 | 4.1 | 110.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1198 | H | 31.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | -149 | -137.7 | 32.4 | -154.8 | -16.2 | 0 | 0 | 0 | 112.3 | ||||
| 1199 | D | 28.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 57% | 0.572 | 77% | 0.765 | S | S | * | * | trans | -118.1 | 176.4 | -168.2 | -75.6 | -82.5 | 0 | 0 | 0 | 111.1 | ||||
| 1200 | I | 31.6 | Very low | 30 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | cis | -143.3 | 149.4 | 38.8 | -60.3 | 172.5 | 0 | 0 | 0 | 114.3 | ||||
| 1201 | Q | 29 | Very low | 30 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | trans | -56.5 | 176.8 | 170 | -66 | 179.3 | 1.6 | 0 | 0 | 115.2 | ||||
| 1202 | C | 25.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | cis | -169.2 | 168 | -20.8 | -101.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1203 | G | 28.1 | Very low | 30 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 150 | 133.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1204 | L | 25.9 | Very low | 30.1 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -100.2 | 158.7 | 168.6 | -55.8 | 95.4 | 0 | 0 | 0 | 110.6 | ||||
| 1205 | W | 28.3 | Very low | 30.2 | Very low | 237 Ų | 237 | 152.1 Ų | 152.1 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -159.8 | 179.9 | 139.9 | -95.2 | 111.5 | 0 | 0 | 0 | 110.3 | ||||
| 1206 | Q | 27.6 | Very low | 30.1 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -107.1 | 166.2 | -161.4 | -64 | 166.6 | -47.9 | 0 | 0 | 114.1 | ||||
| 1207 | D | 35.4 | Very low | 30.1 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -46.2 | 146.4 | 166.9 | -80.6 | -50.4 | 0 | 0 | 0 | 113.2 | ||||
| 1208 | P | 33.8 | Very low | 30.1 | Very low | 117 Ų | 117 | 157.2 Ų | 157.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | -152.7 | 171.8 | 80.5 | 40.6 | -21.4 | 0 | 0 | 0 | 118.4 | |||||
| 1209 | Y | 32.9 | Very low | 30.2 | Very low | 226 Ų | 226 | 158.9 Ų | 158.9 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | trans | -57.9 | 151.5 | 165.7 | -87.5 | -87.1 | 0 | 0 | 0 | 113.8 | ||||
| 1210 | P | 33.7 | Very low | 30.3 | Very low | 115 Ų | 115 | 159.8 Ų | 159.8 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | -132.8 | 167.2 | 129.4 | 37.8 | -28.5 | 0 | 0 | 0 | 114.1 | |||||
| 1211 | Q | 26.1 | Very low | 30.5 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -88.2 | 153.1 | 174.9 | -62.2 | 171 | -17.3 | 0 | 0 | 111.4 | ||||
| 1212 | F | 31.6 | Very low | 30.4 | Very low | 211 Ų | 211 | 156.1 Ų | 156.1 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -139.4 | 132 | 147.4 | -105.1 | -79 | 0 | 0 | 0 | 110.9 | ||||
| 1213 | S | 26.9 | Very low | 30.8 | Very low | 105 Ų | 105 | 157.6 Ų | 157.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -108.8 | 149.8 | 176 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1214 | N | 33.1 | Very low | 30.8 | Very low | 162 Ų | 162 | 163.5 Ų | 163.5 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -139.5 | 152.3 | 153.7 | -131.8 | -23.7 | 0 | 0 | 0 | 112.2 | ||||
| 1215 | Q | 31.4 | Very low | 31 | Very low | 143 Ų | 143 | 164.1 Ų | 164.1 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | trans | -86.2 | -179.3 | -173.8 | -53.2 | 176.2 | -6 | 0 | 0 | 109.6 | ||||
| 1216 | R | 29.4 | Very low | 31 | Very low | 178 Ų | 178 | 158.1 Ų | 158.1 | 67% | 0.672 | 79% | 0.79 | S | S | * | * | cis | -163.4 | 147.1 | 15.8 | -167.1 | 177.5 | -77.1 | 179.4 | -8.5 | 110.1 | D1218 | R1216-D1218 WeakPolarHBondContact CD-OD2 3.4Å; R1216-D1218 WeakPolarHBondContact CG-OD2 3.47Å | ||
| 1217 | Y | 30.6 | Very low | 31.1 | Very low | 239 Ų | 239 | 154 Ų | 154 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -165.5 | 126.3 | 134.4 | -110.6 | -68.9 | 0 | 0 | 0 | 109.7 | ||||
| 1218 | D | 30.6 | Very low | 30.9 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | trans | -94.7 | 144.5 | -169.6 | -55.9 | -87.9 | 0 | 0 | 0 | 113.4 | R1216 | R1216-D1218 WeakPolarHBondContact CD-OD2 3.4Å; R1216-D1218 WeakPolarHBondContact CG-OD2 3.47Å | ||
| 1219 | Q | 33.6 | Very low | 31 | Very low | 196 Ų | 196 | 159.1 Ų | 159.1 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | -166.5 | 162.6 | 120.9 | -103.4 | 166.1 | 59 | 0 | 0 | 113.1 | |||||
| 1220 | V | 30.4 | Very low | 30.8 | Very low | 125 Ų | 125 | 157 Ų | 157 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -157.6 | 161.7 | -147.1 | 166.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1221 | P | 36.4 | Very low | 30.7 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -129 | 173.9 | 0.9 | 24.9 | -1.1 | 0 | 0 | 0 | 117.5 | ||||
| 1222 | V | 27.6 | Very low | 30.9 | Very low | 131 Ų | 131 | 150 Ų | 150 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -18.5 | 140.1 | 143.9 | -172.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1223 | N | 32.8 | Very low | 30.8 | Very low | 155 Ų | 155 | 151 Ų | 151 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -144.3 | -173.2 | 144.5 | -135.2 | -25.3 | 0 | 0 | 0 | 112.6 | ||||
| 1224 | R | 29.3 | Very low | 30.9 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | trans | -144.8 | 152.4 | -130.6 | -148.3 | -179.8 | -169.6 | -175.5 | 6.3 | 114.2 | ||||
| 1225 | F | 29.4 | Very low | 30.8 | Very low | 177 Ų | 177 | 153 Ų | 153 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 63.6 | 164.5 | 174 | -65.7 | -86.3 | 0 | 0 | 0 | 116.4 | ||||
| 1226 | S | 28.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | cis | -169.3 | 152.8 | -42.7 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1227 | G | 30.2 | Very low | 31.4 | Very low | 77 Ų | 77 | 146.5 Ų | 146.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -168.1 | 91.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1228 | N | 30.9 | Very low | 31.5 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 142.5 | 175.7 | -77.1 | -18.7 | 0 | 0 | 0 | 111.7 | ||||
| 1229 | Y | 34.4 | Very low | 31.5 | Very low | 241 Ų | 241 | 142 Ų | 142 | 95% | 0.945 | 81% | 0.812 | S | S | * | * | trans | -131.2 | 123.8 | 139.8 | -103.7 | -86.4 | 0 | 0 | 0 | 108.8 | ||||
| 1230 | M | 30.4 | Very low | 31.5 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -98.6 | 144 | 175.9 | -85.5 | -169 | 174 | 0 | 0 | 110.8 | ||||
| 1231 | G | 30.9 | Very low | 31.4 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 153.6 | 110.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1232 | G | 30.4 | Very low | 31.2 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | cis | 175.4 | 164.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1233 | R | 29.4 | Very low | 31.3 | Very low | 232 Ų | 232 | 137.6 Ų | 137.6 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | 62.4 | 91.9 | 174.3 | -59 | -174.5 | 178.5 | -157 | -1.8 | 116.7 | ||||
| 1234 | S | 28.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -74.2 | 156.1 | 141.6 | 47.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1235 | F | 32.8 | Very low | 31.4 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -138.1 | 141 | 160.5 | -105.6 | -83.4 | 0 | 0 | 0 | 109 | ||||
| 1236 | G | 30.9 | Very low | 31.3 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -95.1 | 174.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1237 | P | 42.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -95.4 | 160 | -172.4 | 37.7 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 1238 | N | 32.4 | Very low | 31.2 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | 176.5 | 161 | 140.8 | -97.7 | -25.8 | 0 | 0 | 0 | 112.7 | ||||
| 1239 | G | 30.6 | Very low | 31.1 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 114.5 | 117.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1240 | A | 32.4 | Very low | 30.8 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 95% | 0.95 | 81% | 0.81 | S | S | * | * | trans | -96.3 | 162.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1241 | G | 29.6 | Very low | 30.7 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 169.8 | 89 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1242 | N | 31.9 | Very low | 30.6 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 40.8 | 129.6 | 150.8 | -67.1 | -3.5 | 0 | 0 | 0 | 124.4 | ||||
| 1243 | N | 30.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | 47.7 | 113.7 | 134.2 | -54.6 | -7.4 | 0 | 0 | 0 | 121.9 | ||||
| 1244 | F | 31.3 | Very low | 30.6 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 175.2 | 142.8 | 91.9 | -109.9 | -77.3 | 0 | 0 | 0 | 112.8 | |||||
| 1245 | N | 31 | Very low | 31.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 52.4 | 140.4 | 165.5 | -61.9 | -19.3 | 0 | 0 | 0 | 118.4 | ||||
| 1246 | G | 29.1 | Very low | 31.2 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 175.4 | 173.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1247 | S | 29.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | cis | 174.6 | 87.1 | -9.4 | 45.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1248 | S | 26.9 | Very low | 30.5 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 44.1 | 128.4 | 130.6 | 59.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1249 | W | 29.2 | Very low | 30.3 | Very low | 260 Ų | 260 | 127 Ų | 127 | 99% | 0.985 | 79% | 0.792 | S | S | * | * | 93.9 | 175.4 | 128.7 | -77.6 | 43.8 | 0 | 0 | 0 | 120.9 | |||||
| 1250 | N | 27.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -123.3 | 159.8 | -148.6 | -125.6 | -7.2 | 0 | 0 | 0 | 113.1 | ||||
| 1251 | S | 28.5 | Very low | 30.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | trans | 83.7 | 129 | 150.5 | -77.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1252 | Y | 28.6 | Very low | 31 | Very low | 232 Ų | 232 | 138.4 Ų | 138.4 | 91% | 0.91 | 78% | 0.78 | S | S | * | * | trans | 67.8 | 120.8 | 151.5 | -60.5 | -58 | 0 | 0 | 0 | 122.2 | ||||
| 1253 | G | 27.7 | Very low | 31 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | 158.4 | 125.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1254 | A | 31.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -127.9 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1255 | P | 41.2 | Very low | 31.3 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | cis | -145.3 | 178.1 | 15.9 | 43.8 | -23.7 | 0 | 0 | 0 | 118.9 | ||||
| 1256 | N | 32.3 | Very low | 31.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 38.9 | 123.8 | 149.5 | -57.8 | -6.6 | 0 | 0 | 0 | 123.9 | ||||
| 1257 | F | 32.1 | Very low | 31.5 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | 165.9 | 128.7 | 99.3 | -102.7 | -74.1 | 0 | 0 | 0 | 115.6 | |||||
| 1258 | G | 27.8 | Very low | 31.6 | Very low | 83 Ų | 83 | 140.5 Ų | 140.5 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | 62.7 | 157 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1259 | G | 28 | Very low | 31.8 | Very low | 65 Ų | 65 | 143.2 Ų | 143.2 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | cis | 160.7 | 100.9 | -18.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1260 | Y | 28.5 | Very low | 31.9 | Very low | 211 Ų | 211 | 138 Ų | 138 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | 64.7 | 171.5 | 160.9 | -64 | -73.7 | 0 | 0 | 0 | 119 | Y1262 | Y1260-Y1262 HydrophobicContact CD1-CD2 4.17Å; Y1260-Y1262 HydrophobicContact CE1-CD2 4.47Å; Y1260-Y1262 HydrophobicContact CE1-CE2 4.49Å | ||
| 1261 | P | 44.2 | Very low | 32 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | cis | -109.7 | 173.2 | -3.4 | 40.4 | -26.9 | 0 | 0 | 0 | 114.2 | ||||
| 1262 | Y | 33.3 | Very low | 32.1 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 73% | 0.725 | 76% | 0.761 | S | S | * | * | cis | 70.7 | 142.6 | 44.3 | -99.3 | -41.8 | 0 | 0 | 0 | 113.9 | Y1260 | Y1260-Y1262 HydrophobicContact CD1-CD2 4.17Å; Y1260-Y1262 HydrophobicContact CE1-CD2 4.47Å; Y1260-Y1262 HydrophobicContact CE1-CE2 4.49Å | ||
| 1263 | Q | 32.6 | Very low | 32.3 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | cis | -167.8 | -177.6 | 9.4 | -169.1 | 172.6 | 75.8 | 0 | 0 | 111.6 | ||||
| 1264 | Q | 33.9 | Very low | 32.4 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 122.1 | 147.4 | 144.7 | -65.7 | -163.4 | 5 | 0 | 0 | 115.6 | ||||
| 1265 | Q | 33.7 | Very low | 33.1 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | cis | -145.3 | 171.6 | 3 | -135.6 | 179.7 | 82.3 | 0 | 0 | 107.2 | ||||
| 1266 | Q | 31.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 62% | 0.621 | 75% | 0.75 | S | S | * | * | cis | -149.7 | -179.4 | 18.2 | -96.9 | 164.3 | 6.8 | 0 | 0 | 107.5 | ||||
| 1267 | F | 32.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | cis | -154 | 116.7 | -9.4 | -106.3 | -39.6 | 0 | 0 | 0 | 105.2 | ||||
| 1268 | T | 32.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | 68.5 | 131.4 | 100.1 | 60.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1269 | N | 29.4 | Very low | 33.8 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -93.1 | 167.2 | 174.5 | -54.4 | -45.7 | 0 | 0 | 0 | 112.3 | ||||
| 1270 | D | 32 | Very low | 34.2 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | -173.2 | -178.3 | 98.3 | -130.1 | -52.9 | 0 | 0 | 0 | 114.7 | |||||
| 1271 | R | 29.3 | Very low | 34.5 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | -86.5 | 155.8 | -165.5 | -60.1 | 154.9 | 166.9 | 179 | -2.9 | 116.6 | ||||
| 1272 | F | 30.8 | Very low | 33.9 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | 169.2 | 171 | 106.8 | -105.6 | -80.5 | 0 | 0 | 0 | 115.8 | |||||
| 1273 | M | 32.6 | Very low | 34.3 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | 90 | 155.4 | 168.6 | -64.8 | -64.1 | 177.7 | 0 | 0 | 120.6 | ||||
| 1274 | Q | 29.7 | Very low | 34.3 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | -146.5 | -161.4 | -167.7 | -39.7 | 174 | -6.8 | 0 | 0 | 109.3 | ||||
| 1275 | P | 45.8 | Very low | 34.3 | Very low | 95 Ų | 95 | 156.9 Ų | 156.9 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | cis | -133.6 | -154.7 | -24.8 | 36.3 | -14.7 | 0 | 0 | 0 | 113 | ||||
| 1276 | N | 34.7 | Very low | 34.5 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 78.5 | 139.1 | 164.4 | -68.1 | -26.2 | 0 | 0 | 0 | 118.2 | ||||
| 1277 | Q | 35.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | -139.5 | 137.9 | -4.3 | -87.9 | 150.5 | 18.8 | 0 | 0 | 107.6 | ||||
| 1278 | R | 35 | Very low | 34.9 | Very low | 231 Ų | 231 | 158.9 Ų | 158.9 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | 67.7 | 150.3 | 68.9 | -81.4 | -162.8 | 177.4 | -164.2 | 1.9 | 116.3 | |||||
| 1279 | P | 43.6 | Very low | 34.9 | Very low | 108 Ų | 108 | 167.4 Ų | 167.4 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -146.9 | 167.9 | -32.5 | 40.9 | -24.1 | 0 | 0 | 0 | 116.5 | ||||
| 1280 | S | 36.7 | Very low | 35.2 | Very low | 107 Ų | 107 | 167.9 Ų | 167.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 175.2 | 117.6 | 134 | 55.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1281 | T | 35.3 | Very low | 35.3 | Very low | 123 Ų | 123 | 168.7 Ų | 168.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 27.2 | 149.8 | 135.3 | 58.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1282 | R | 31.5 | Very low | 35.7 | Very low | 230 Ų | 230 | 166.9 Ų | 166.9 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | cis | -173.8 | 157.9 | -4 | -113.3 | 179.7 | -178 | -175.8 | 0.9 | 109.7 | ||||
| 1283 | P | 40.3 | Very low | 36 | Very low | 115 Ų | 115 | 165.9 Ų | 165.9 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -125.8 | 146.7 | 160.8 | 38 | -26.9 | 0 | 0 | 0 | 114.9 | ||||
| 1284 | H | 32.9 | Very low | 36.2 | Very low | 169 Ų | 169 | 165.5 Ų | 165.5 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | 169 | 169.9 | 142 | -109.9 | -84.5 | 0 | 0 | 0 | 113.6 | ||||
| 1285 | W | 33 | Very low | 36.6 | Very low | 219 Ų | 219 | 164.6 Ų | 164.6 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | 97.5 | 86.9 | 163.5 | -58.9 | 97.9 | 0 | 0 | 0 | 119.5 | ||||
| 1286 | D | 38.2 | Very low | 36 | Very low | 122 Ų | 122 | 169.6 Ų | 169.6 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | 55.3 | 124.7 | 115.1 | -68.1 | 2.5 | 0 | 0 | 0 | 124.7 | |||||
| 1287 | V | 36.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 171.9 Ų | 171.9 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | 75.3 | 116.1 | 129.4 | 177.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1288 | R | 35.7 | Very low | 36.1 | Very low | 224 Ų | 224 | 172.1 Ų | 172.1 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 55.2 | 114 | 156.8 | -68.8 | 173 | -174.9 | -175.2 | 2.1 | 118.2 | ||||
| 1289 | Y | 33.6 | Very low | 36.2 | Very low | 301 Ų | 301 | 166.7 Ų | 166.7 | 100% | 1.18 | 80% | 0.801 | S | S | * | * | -143.5 | 0 | 89.9 | -115.7 | -81.1 | 0 | 0 | 0 | 110.8 |
Retrieved 1,289 of 1,289 residues in 2341 ms
(Link to these results)