| 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 | 71.7 | Confident | 82.3 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | 0 | 22.3 | 0 | -67.2 | -168.4 | -158.4 | 0 | 0 | 113.8 | L85 I100 R101 N686 | M1-L85 HydrophobicContact CB-CD2 3.54Å; M1-L85 HydrophobicContact CG-CD2 3.32Å; M1-L85 HydrophobicContact SD-CD2 3.63Å; M1-I100 HydrophobicContact CE-CG2 4.05Å; M1-R101 PolarHBondContact O-NH1 2.84Å; M1-R101 HydrophobicContact SD-CB 4.32Å; M1-N686 HydrophobicContact CB-CB 4.46Å; M1-N686 VanDerWaalsContact CB-OD1 3.27Å; M1-N686 WeakPolarHBondContact CB-OD1 3.41Å; M1-N686 WeakPolarHBondContact CG-OD1 3.23Å; M1-N686 PolarHBondContact SD-ND2 3.28Å | |||
| 2 | N | 76 | Confident | 82 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | trans | -123.3 | 25.7 | -172.7 | -56 | -1.1 | 0 | 0 | 0 | 111.8 | Y104 | N2-Y104 PolarHBondContact ND2-OH 3.08Å; N2-Y104 VanDerWaalsContact OD1-CE1 3.26Å; N2-Y104 WeakPolarHBondContact OD1-CE1 3.37Å; N2-Y104 PolarHBondContact OD1-OH 3.01Å | ||
| 3 | M | 81.4 | Confident | 81.3 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 30% | 0.296 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -121 | 31.3 | -172.9 | -57.4 | 174.5 | 62.9 | 0 | 0 | 110 | F17 K18 K21 | M3-F17 HydrophobicContact CE-CB 4.4Å; M3-F17 HydrophobicContact CE-CD1 3.23Å; M3-F17 HydrophobicContact CE-CE1 3.64Å; M3-F17 HydrophobicContact CE-CG 3.98Å; M3-F17 HydrophobicContact SD-CD1 4.27Å; M3-F17 HydrophobicContact SD-CE1 4.07Å; M3-K18 VanDerWaalsContact CE-CA 3.47Å; M3-K18 HydrophobicContact CE-CB 4.02Å; M3-K18 HydrophobicContact CE-CG 4.45Å; M3-K18 WeakPolarHBondContact O-CE 3.25Å; M3-K21 HydrophobicContact CE-CG 4.26Å; M3-K21 HydrophobicContact SD-CB 4.27Å; M3-K21 HydrophobicContact SD-CG 3.87Å |
| 4 | Y | 85.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 11% | 0.106 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -146 | 130.3 | -172.5 | -74 | -99.4 | 0 | 0 | 0 | 105.9 | P6 E12 K18 F65 E81 L85 | Y4-P6 VanDerWaalsContact O-CD 3.28Å; Y4-P6 WeakPolarHBondContact O-CD 3.19Å; Y4-E12 WeakPolarHBondContact CA-OE1 3.4Å; Y4-K18 HydrophobicContact CE2-CG 4.42Å; Y4-F65 WeakPolarHBondContact OH-CD1 3.32Å; Y4-E81 WeakPolarHBondContact CB-OE1 3.18Å; Y4-E81 HydrophobicContact CD1-CB 4.08Å; Y4-E81 VanDerWaalsContact CD1-OE2 3.29Å; Y4-E81 WeakPolarHBondContact CD1-OE2 3.3Å; Y4-E81 HydrophobicContact CE1-CB 4.34Å; Y4-L85 HydrophobicContact CD1-CD1 3.88Å; Y4-L85 HydrophobicContact CD2-CD1 3.11Å; Y4-L85 HydrophobicContact CE1-CD1 3.97Å; Y4-L85 HydrophobicContact CE2-CD1 3.24Å; Y4-L85 HydrophobicContact CG-CD1 3.43Å; Y4-L85 VanDerWaalsContact CG-CD1 3.43Å |
| 5 | E | 84.9 | Confident | 80.7 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | trans | -91 | 103.5 | -175.4 | 174.9 | 44.3 | -115.4 | 0 | 0 | 109.8 | K7 E12 | E5-K7 HydrophobicContact CG-CB 4.46Å; E5-K7 PolarHBondContact O-N 2.85Å; E5-K7 VanDerWaalsContact OE1-CB 3.31Å; E5-K7 WeakPolarHBondContact OE1-CB 3.38Å; E5-K7 PolarHBondContact OE1-N 3.35Å; E5-K7 VanDerWaalsContact OE1-N 3.12Å; E5-E12 PolarHBondContact N-OE1 3.45Å | ||
| 6 | P | 88.7 | Confident | 81 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.032 | 37% | 0.366 | C | S | . | . | trans | -74.9 | 24.7 | -172.1 | 36.9 | -42.7 | 0 | 0 | 0 | 113.9 | Y4 E87 M88 W131 K574 | Y4-P6 VanDerWaalsContact O-CD 3.28Å; Y4-P6 WeakPolarHBondContact O-CD 3.19Å; P6-E87 CarbonylContact O-C 3.54Å; P6-E87 WeakPolarHBondContact O-CA 3.23Å; P6-E87 PolarHBondContact O-N 3Å; P6-M88 WeakPolarHBondContact O-CG 3.29Å; P6-M88 PolarHBondContact O-N 3.02Å; P6-W131 HydrophobicContact CB-CH2 4.23Å; P6-W131 HydrophobicContact CB-CZ3 3.86Å; P6-W131 HydrophobicContact CG-CH2 3.58Å; P6-W131 HydrophobicContact CG-CZ3 3.75Å; P6-K574 HydrophobicContact CB-CB 4.45Å; P6-K574 HydrophobicContact CG-CB 4.09Å; P6-K574 HydrophobicContact CG-CG 4.17Å | ||
| 7 | K | 87.5 | Confident | 81.2 | Confident | 120 Ų | 120 | 76.5 Ų | 76.5 | 52% | 0.522 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -118.3 | 108.2 | 174.5 | -176.8 | -168.2 | 173.1 | -172.4 | 0 | 110.3 | E5 S10 M88 | E5-K7 HydrophobicContact CG-CB 4.46Å; E5-K7 PolarHBondContact O-N 2.85Å; E5-K7 VanDerWaalsContact OE1-CB 3.31Å; E5-K7 WeakPolarHBondContact OE1-CB 3.38Å; E5-K7 PolarHBondContact OE1-N 3.35Å; E5-K7 VanDerWaalsContact OE1-N 3.12Å; K7-S10 VanDerWaalsContact O-CB 3.26Å; K7-S10 WeakPolarHBondContact O-CB 3.46Å; K7-S10 PolarHBondContact O-N 3.27Å; K7-S10 VanDerWaalsContact O-N 3.15Å; K7-S10 PolarHBondContact O-OG 3.16Å; K7-M88 HydrophobicContact CB-CE 4.04Å; K7-M88 HydrophobicContact CG-CE 4.46Å |
| 8 | V | 85.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 138.4 | 174.4 | -175 | 0 | 0 | 0 | 0 | 111.1 | S10 R70 D76 E87 M88 E89 | V8-S10 VanDerWaalsContact C-N 3.34Å; V8-R70 HydrophobicContact CG1-CB 4.09Å; V8-D76 WeakPolarHBondContact CG1-OD2 3.4Å; V8-E87 HydrophobicContact CG2-CB 3.72Å; V8-E87 HydrophobicContact CG2-CG 3.99Å; V8-E87 WeakPolarHBondContact CG2-OE2 3.45Å; V8-M88 WeakPolarHBondContact CG2-O 3.5Å; V8-M88 PolarHBondContact N-O 3.22Å; V8-E89 HydrophobicContact CB-CB 4.5Å; V8-E89 HydrophobicContact CG2-CB 4.27Å |
| 9 | G | 82.8 | Confident | 82 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D76 | G9-D76 PolarHBondContact N-OD2 2.88Š|
| 10 | S | 82.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -98.1 | 128.1 | 169.6 | -42.9 | 0 | 0 | 0 | 0 | 108.8 | K7 V8 D76 | K7-S10 VanDerWaalsContact O-CB 3.26Å; K7-S10 WeakPolarHBondContact O-CB 3.46Å; K7-S10 PolarHBondContact O-N 3.27Å; K7-S10 VanDerWaalsContact O-N 3.15Å; K7-S10 PolarHBondContact O-OG 3.16Å; V8-S10 VanDerWaalsContact C-N 3.34Å; S10-D76 VanDerWaalsContact O-CB 3.32Å; S10-D76 WeakPolarHBondContact O-CB 3.34Å |
| 11 | P | 79.8 | Confident | 82.9 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 134.4 | -176.8 | 25.7 | -33 | 0 | 0 | 0 | 112 | V74 V75 | P11-V74 HydrophobicContact CB-CG1 3.8Å; P11-V74 HydrophobicContact CG-CG1 4.39Å; P11-V75 WeakPolarHBondContact CA-O 3.48Å |
| 12 | E | 78.4 | Confident | 83.9 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 144.7 | 177.6 | -99.2 | -59 | 159.3 | 0 | 0 | 113.4 | Y4 E5 K18 V75 | Y4-E12 WeakPolarHBondContact CA-OE1 3.4Å; E5-E12 PolarHBondContact N-OE1 3.45Å; E12-K18 IonicContact OE1-NZ 2.76Å; E12-K18 IonicContact OE2-NZ 2.66Å; E12-K18 PolarHBondContact OE2-NZ 3.26Å; E12-V75 PolarHBondContact N-O 2.76Å |
| 13 | R | 73.1 | Confident | 84.8 | Confident | 227 Ų | 227 | 73 Ų | 73 | 86% | 0.857 | 35% | 0.346 | S | S | * | . | trans | -108.8 | 62.6 | -176.2 | -70.7 | -167.7 | 177 | -163.9 | 0.1 | 111.3 | G15 | R13-G15 PolarHBondContact O-N 3.11Š| ||
| 14 | T | 73.5 | Confident | 85.4 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | trans | -76.1 | 64.1 | -175.8 | -58.4 | 0 | 0 | 0 | 0 | 113 | K18 E19 E67 | T14-K18 HydrophobicContact CG2-CD 4.1Å; T14-K18 WeakPolarHBondContact OG1-CD 3.45Å; T14-K18 PolarHBondContact OG1-NZ 3.29Å; T14-E19 HydrophobicContact CG2-CG 4.42Å; T14-E67 WeakPolarHBondContact CB-OE2 3.41Å; T14-E67 PolarHBondContact OG1-OE1 2.92Å; T14-E67 PolarHBondContact OG1-OE2 3.47Å | ||
| 15 | G | 79.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 76.6 Ų | 76.6 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | trans | -74.2 | 166.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R13 F17 K18 | R13-G15 PolarHBondContact O-N 3.11Å; G15-F17 PolarHBondContact O-N 2.72Å; G15-K18 PolarHBondContact O-N 2.95Å | ||
| 16 | R | 84.8 | Confident | 86.4 | Confident | 219 Ų | 219 | 72.6 Ų | 72.6 | 83% | 0.826 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -50 | -22.6 | -177 | -54.8 | -175.9 | -167.2 | 177.1 | 5.3 | 114.8 | R20 | R16-R20 WeakPolarHBondContact O-CB 3.36Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.42Å; R16-R20 PolarHBondContact O-N 2.93Å; R16-R20 VanDerWaalsContact O-N 3.08Å |
| 17 | F | 84.8 | Confident | 86.7 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -75.6 | -35.6 | 176.9 | -172.7 | -122.9 | 0 | 0 | 0 | 113.7 | M3 G15 K21 | M3-F17 HydrophobicContact CE-CB 4.4Å; M3-F17 HydrophobicContact CE-CD1 3.23Å; M3-F17 HydrophobicContact CE-CE1 3.64Å; M3-F17 HydrophobicContact CE-CG 3.98Å; M3-F17 HydrophobicContact SD-CD1 4.27Å; M3-F17 HydrophobicContact SD-CE1 4.07Å; G15-F17 PolarHBondContact O-N 2.72Å; F17-K21 WeakPolarHBondContact O-CG 3.48Å; F17-K21 PolarHBondContact O-N 2.79Å |
| 18 | K | 87.4 | Confident | 87.1 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 173.8 | -164.2 | -177.7 | 180 | -177.5 | 0 | 109.5 | M3 Y4 E12 T14 G15 R20 K21 I22 E67 | M3-K18 VanDerWaalsContact CE-CA 3.47Å; M3-K18 HydrophobicContact CE-CB 4.02Å; M3-K18 HydrophobicContact CE-CG 4.45Å; M3-K18 WeakPolarHBondContact O-CE 3.25Å; Y4-K18 HydrophobicContact CE2-CG 4.42Å; E12-K18 IonicContact OE1-NZ 2.76Å; E12-K18 IonicContact OE2-NZ 2.66Å; E12-K18 PolarHBondContact OE2-NZ 3.26Å; T14-K18 HydrophobicContact CG2-CD 4.1Å; T14-K18 WeakPolarHBondContact OG1-CD 3.45Å; T14-K18 PolarHBondContact OG1-NZ 3.29Å; G15-K18 PolarHBondContact O-N 2.95Å; K18-R20 PolarHBondContact O-N 3.16Å; K18-K21 PolarHBondContact O-N 3.45Å; K18-K21 VanDerWaalsContact O-N 3.12Å; K18-I22 HydrophobicContact CG-CD1 4.19Å; K18-I22 WeakPolarHBondContact O-CG1 3.49Å; K18-I22 PolarHBondContact O-N 2.83Å; K18-E67 IonicContact NZ-OE1 2.78Å; K18-E67 PolarHBondContact NZ-OE1 2.9Å |
| 19 | E | 90.2 | Very high | 87.6 | Confident | 65 Ų | 65 | 72.8 Ų | 72.8 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -52.7 | -55 | 172.5 | -75.3 | -63 | 103.1 | 0 | 0 | 113.1 | T14 K21 I22 D23 K61 | T14-E19 HydrophobicContact CG2-CG 4.42Å; E19-K21 PolarHBondContact O-N 3.34Å; E19-K21 VanDerWaalsContact O-N 3.15Å; E19-I22 PolarHBondContact O-N 3.3Å; E19-I22 VanDerWaalsContact O-N 3.08Å; E19-D23 PolarHBondContact O-N 3.24Å; E19-K61 VanDerWaalsContact OE2-CE 3.27Å; E19-K61 WeakPolarHBondContact OE2-CE 3.45Å; E19-K61 IonicContact OE2-NZ 3.38Å; E19-K61 PolarHBondContact OE2-NZ 2.85Å |
| 20 | R | 91.9 | Very high | 88.2 | Confident | 189 Ų | 189 | 72.8 Ų | 72.8 | 71% | 0.713 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.5 | -32.8 | 177.5 | -77.8 | 174.3 | 176 | -172.4 | -1.6 | 113.5 | R16 K18 R24 | R16-R20 WeakPolarHBondContact O-CB 3.36Å; R16-R20 VanDerWaalsContact O-CG 3.28Å; R16-R20 WeakPolarHBondContact O-CG 3.42Å; R16-R20 PolarHBondContact O-N 2.93Å; R16-R20 VanDerWaalsContact O-N 3.08Å; K18-R20 PolarHBondContact O-N 3.16Å; R20-R24 WeakPolarHBondContact O-CB 3.45Å; R20-R24 PolarHBondContact O-N 2.92Å; R20-R24 VanDerWaalsContact O-N 3.1Å |
| 21 | K | 91 | Very high | 88.7 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -76.7 | -38.9 | 176.7 | -71.4 | -82.8 | -171.8 | 175.7 | 0 | 111.9 | M3 F17 K18 E19 F25 S689 | M3-K21 HydrophobicContact CE-CG 4.26Å; M3-K21 HydrophobicContact SD-CB 4.27Å; M3-K21 HydrophobicContact SD-CG 3.87Å; F17-K21 WeakPolarHBondContact O-CG 3.48Å; F17-K21 PolarHBondContact O-N 2.79Å; K18-K21 PolarHBondContact O-N 3.45Å; K18-K21 VanDerWaalsContact O-N 3.12Å; E19-K21 PolarHBondContact O-N 3.34Å; E19-K21 VanDerWaalsContact O-N 3.15Å; K21-F25 WeakPolarHBondContact O-CB 3.28Å; K21-F25 PolarHBondContact O-N 3.04Å; K21-S689 PolarHBondContact NZ-OG 2.87Å |
| 22 | I | 92.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 172 | -66.6 | 163.8 | 0 | 0 | 0 | 110.1 | K18 E19 R24 F25 L26 K61 F65 | K18-I22 HydrophobicContact CG-CD1 4.19Å; K18-I22 WeakPolarHBondContact O-CG1 3.49Å; K18-I22 PolarHBondContact O-N 2.83Å; E19-I22 PolarHBondContact O-N 3.3Å; E19-I22 VanDerWaalsContact O-N 3.08Å; I22-R24 PolarHBondContact O-N 2.86Å; I22-F25 PolarHBondContact O-N 2.9Å; I22-L26 HydrophobicContact CG2-CD1 3.97Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.82Å; I22-K61 HydrophobicContact CG2-CD 4.4Å; I22-K61 HydrophobicContact CG2-CG 4.16Å; I22-F65 HydrophobicContact CB-CD1 4.31Å; I22-F65 HydrophobicContact CB-CE1 4.45Å; I22-F65 HydrophobicContact CD1-CB 4.31Å; I22-F65 HydrophobicContact CD1-CD1 3.79Å; I22-F65 HydrophobicContact CD1-CG 4.31Å; I22-F65 HydrophobicContact CG1-CD1 3.68Å; I22-F65 HydrophobicContact CG1-CE1 3.92Å; I22-F65 HydrophobicContact CG1-CG 4.38Å; I22-F65 HydrophobicContact CG2-CB 4.15Å; I22-F65 HydrophobicContact CG2-CD1 3.66Å; I22-F65 HydrophobicContact CG2-CD2 3.81Å; I22-F65 HydrophobicContact CG2-CE1 3.93Å; I22-F65 HydrophobicContact CG2-CE2 4.1Å; I22-F65 HydrophobicContact CG2-CG 3.59Å; I22-F65 HydrophobicContact CG2-CZ 4.15Å |
| 23 | D | 94.4 | Very high | 89.8 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 179.2 | -79.3 | -51.7 | 0 | 0 | 0 | 112.6 | E19 N27 R57 K61 | E19-D23 PolarHBondContact O-N 3.24Å; D23-N27 WeakPolarHBondContact O-CB 3.26Å; D23-N27 PolarHBondContact O-N 3.1Å; D23-N27 PolarHBondContact O-OD1 3.4Å; D23-N27 VanDerWaalsContact O-OD1 3.13Å; D23-R57 VanDerWaalsContact CB-NH2 3.32Å; D23-R57 PolarHBondContact O-NH2 3.21Å; D23-R57 VanDerWaalsContact O-NH2 3.16Å; D23-R57 IonicContact OD1-CZ 2.74Å; D23-R57 VanDerWaalsContact OD1-CZ 3.24Å; D23-R57 IonicContact OD1-NH1 3.08Å; D23-R57 PolarHBondContact OD1-NH1 2.91Å; D23-R57 IonicContact OD1-NH2 3.23Å; D23-R57 PolarHBondContact OD1-NH2 3.33Å; D23-K61 IonicContact OD1-NZ 3.21Å; D23-K61 PolarHBondContact OD1-NZ 3.09Å; D23-K61 IonicContact OD2-NZ 2.72Å; D23-K61 PolarHBondContact OD2-NZ 3.1Å |
| 24 | R | 94.8 | Very high | 90.7 | Very high | 110 Ų | 110 | 70.5 Ų | 70.5 | 42% | 0.415 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 173.9 | -173.6 | 174.2 | -178.8 | 174.7 | 1.8 | 112.1 | R20 I22 N27 E28 S692 | R20-R24 WeakPolarHBondContact O-CB 3.45Å; R20-R24 PolarHBondContact O-N 2.92Å; R20-R24 VanDerWaalsContact O-N 3.1Å; I22-R24 PolarHBondContact O-N 2.86Å; R24-N27 PolarHBondContact O-N 3.12Å; R24-E28 WeakPolarHBondContact O-CG 3.28Å; R24-E28 PolarHBondContact O-N 3.36Å; R24-E28 VanDerWaalsContact O-N 3.17Å; R24-S692 PolarHBondContact NH2-OG 2.91Å; R24-S692 VanDerWaalsContact NH2-OG 3.15Å |
| 25 | F | 94.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 23% | 0.232 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.6 | 171.1 | -108.2 | 0 | 0 | 0 | 111.4 | K21 I22 N27 E28 V29 F65 F80 P147 M151 | K21-F25 WeakPolarHBondContact O-CB 3.28Å; K21-F25 PolarHBondContact O-N 3.04Å; I22-F25 PolarHBondContact O-N 2.9Å; F25-N27 VanDerWaalsContact C-N 3.35Å; F25-N27 PolarHBondContact O-N 2.93Å; F25-E28 PolarHBondContact O-N 3.26Å; F25-V29 HydrophobicContact CD1-CG2 4.44Å; F25-V29 HydrophobicContact CD2-CG2 3.95Å; F25-V29 HydrophobicContact CE1-CG2 4.08Å; F25-V29 HydrophobicContact CE2-CG2 3.55Å; F25-V29 HydrophobicContact CG-CG2 4.39Å; F25-V29 HydrophobicContact CZ-CG2 3.63Å; F25-V29 WeakPolarHBondContact O-CB 3.36Å; F25-V29 WeakPolarHBondContact O-CG2 3.33Å; F25-V29 PolarHBondContact O-N 3.39Å; F25-F65 AromaticContact CD1-CZ 3.84Å; F25-F65 HydrophobicContact CD1-CZ 3.84Å; F25-F65 AromaticContact CE1-CZ 3.95Å; F25-F65 HydrophobicContact CE1-CZ 3.95Å; F25-F80 HydrophobicContact CD1-CE2 4.4Å; F25-F80 HydrophobicContact CD1-CZ 4.39Å; F25-F80 HydrophobicContact CE1-CD2 4.36Å; F25-F80 AromaticContact CE1-CE2 3.49Å; F25-F80 HydrophobicContact CE1-CE2 3.49Å; F25-F80 VanDerWaalsContact CE1-CE2 3.49Å; F25-F80 AromaticContact CE1-CZ 3.79Å; F25-F80 HydrophobicContact CE1-CZ 3.79Å; F25-F80 AromaticContact CZ-CE2 3.72Å; F25-F80 HydrophobicContact CZ-CE2 3.72Å; F25-F80 AromaticContact CZ-CZ 3.91Å; F25-F80 HydrophobicContact CZ-CZ 3.91Å; F25-P147 HydrophobicContact CE2-CB 4.27Å; F25-P147 HydrophobicContact CZ-CB 4.25Å; F25-M151 HydrophobicContact CE1-CE 4.26Å; F25-M151 HydrophobicContact CE1-SD 3.56Å; F25-M151 VanDerWaalsContact CE1-SD 3.56Å; F25-M151 HydrophobicContact CZ-SD 3.65Å |
| 26 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.3 | -71.3 | 172.3 | 0 | 0 | 0 | 112.3 | I22 E28 V29 L30 L60 K61 F65 | I22-L26 HydrophobicContact CG2-CD1 3.97Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.82Å; L26-E28 VanDerWaalsContact C-N 3.25Å; L26-E28 PolarHBondContact O-N 2.92Å; L26-V29 PolarHBondContact O-N 3.05Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.35Å; L26-L60 HydrophobicContact CD2-CD2 3.84Å; L26-L60 HydrophobicContact CD2-CG 4.2Å; L26-K61 HydrophobicContact CD1-CB 3.52Å; L26-K61 HydrophobicContact CD1-CD 4.11Å; L26-K61 HydrophobicContact CD1-CG 3.68Å; L26-F65 HydrophobicContact CD1-CD2 4.42Å; L26-F65 HydrophobicContact CD1-CE2 4.31Å; L26-F65 HydrophobicContact CD2-CE2 3.97Å; L26-F65 HydrophobicContact CG-CE2 4.22Å |
| 27 | N | 95.2 | Very high | 92.4 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -28.7 | 177.6 | -72.2 | 3.4 | 0 | 0 | 0 | 113.3 | D23 R24 F25 K31 R57 | D23-N27 WeakPolarHBondContact O-CB 3.26Å; D23-N27 PolarHBondContact O-N 3.1Å; D23-N27 PolarHBondContact O-OD1 3.4Å; D23-N27 VanDerWaalsContact O-OD1 3.13Å; R24-N27 PolarHBondContact O-N 3.12Å; F25-N27 VanDerWaalsContact C-N 3.35Å; F25-N27 PolarHBondContact O-N 2.93Å; N27-K31 WeakPolarHBondContact O-CD 3.23Å; N27-K31 VanDerWaalsContact O-CE 3.24Å; N27-K31 WeakPolarHBondContact O-CE 3.23Å; N27-K31 VanDerWaalsContact O-CG 3.32Å; N27-K31 WeakPolarHBondContact O-CG 3.26Å; N27-R57 VanDerWaalsContact OD1-CZ 3.23Å; N27-R57 PolarHBondContact OD1-NE 3.45Å; N27-R57 PolarHBondContact OD1-NH2 2.73Å |
| 28 | E | 96.8 | Very high | 92.8 | Very high | 68 Ų | 68 | 56 Ų | 56 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -82.7 | -43.5 | 175.7 | -65.3 | -74.6 | 95.6 | 0 | 0 | 111.2 | R24 F25 L26 K31 S691 | R24-E28 WeakPolarHBondContact O-CG 3.28Å; R24-E28 PolarHBondContact O-N 3.36Å; R24-E28 VanDerWaalsContact O-N 3.17Å; F25-E28 PolarHBondContact O-N 3.26Å; L26-E28 VanDerWaalsContact C-N 3.25Å; L26-E28 PolarHBondContact O-N 2.92Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-K31 IonicContact OE1-NZ 2.65Å; E28-K31 PolarHBondContact OE1-NZ 3.47Å; E28-S691 PolarHBondContact OE2-OG 2.76Å |
| 29 | V | 95.4 | Very high | 93 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.9 | 160.8 | 0 | 0 | 0 | 0 | 111.2 | F25 L26 K31 T32 M35 E148 M151 | F25-V29 HydrophobicContact CD1-CG2 4.44Å; F25-V29 HydrophobicContact CD2-CG2 3.95Å; F25-V29 HydrophobicContact CE1-CG2 4.08Å; F25-V29 HydrophobicContact CE2-CG2 3.55Å; F25-V29 HydrophobicContact CG-CG2 4.39Å; F25-V29 HydrophobicContact CZ-CG2 3.63Å; F25-V29 WeakPolarHBondContact O-CB 3.36Å; F25-V29 WeakPolarHBondContact O-CG2 3.33Å; F25-V29 PolarHBondContact O-N 3.39Å; L26-V29 PolarHBondContact O-N 3.05Å; V29-K31 VanDerWaalsContact C-N 3.26Å; V29-K31 PolarHBondContact O-N 2.89Å; V29-T32 WeakPolarHBondContact O-CB 3.43Å; V29-T32 WeakPolarHBondContact O-CG2 3.46Å; V29-T32 PolarHBondContact O-N 2.67Å; V29-T32 VanDerWaalsContact O-N 3.13Å; V29-T32 PolarHBondContact O-OG1 3.47Å; V29-M35 HydrophobicContact CG1-CE 3.97Å; V29-M35 HydrophobicContact CG1-CG 3.48Å; V29-M35 VanDerWaalsContact CG1-CG 3.48Å; V29-M35 HydrophobicContact CG1-SD 3.8Å; V29-M35 WeakPolarHBondContact O-CB 3.33Å; V29-M35 WeakPolarHBondContact O-CG 3.27Å; V29-E148 HydrophobicContact CG1-CB 4.08Å; V29-M151 HydrophobicContact CG1-SD 4.4Å |
| 30 | L | 96.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.4 | -179.8 | -70.5 | 169.3 | 0 | 0 | 0 | 114.6 | L26 T32 M35 F56 R57 L60 | L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.42Å; L26-L30 PolarHBondContact O-N 3.35Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 2.77Å; L30-M35 HydrophobicContact CD2-CB 4.34Å; L30-M35 HydrophobicContact CD2-CE 4.12Å; L30-F56 HydrophobicContact CD2-CD1 3.66Å; L30-F56 HydrophobicContact CD2-CE1 3.56Å; L30-R57 HydrophobicContact CD1-CB 3.69Å; L30-R57 HydrophobicContact CD1-CG 3.7Å; L30-L60 HydrophobicContact CD2-CD2 3.96Å |
| 31 | K | 93 | Very high | 92.6 | Very high | 133 Ų | 133 | 50 Ų | 50 | 58% | 0.578 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -22.6 | 174.1 | -69.5 | 166.4 | -172.9 | 175.1 | 0 | 112.9 | N27 E28 V29 K36 | N27-K31 WeakPolarHBondContact O-CD 3.23Å; N27-K31 VanDerWaalsContact O-CE 3.24Å; N27-K31 WeakPolarHBondContact O-CE 3.23Å; N27-K31 VanDerWaalsContact O-CG 3.32Å; N27-K31 WeakPolarHBondContact O-CG 3.26Å; E28-K31 PolarHBondContact O-N 3.4Å; E28-K31 IonicContact OE1-NZ 2.65Å; E28-K31 PolarHBondContact OE1-NZ 3.47Å; V29-K31 VanDerWaalsContact C-N 3.26Å; V29-K31 PolarHBondContact O-N 2.89Å; K31-K36 WeakPolarHBondContact O-CE 3.46Å; K31-K36 PolarHBondContact O-NZ 3.21Å |
| 32 | T | 93.3 | Very high | 92.4 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -71 | 148.3 | -176 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | V29 L30 V34 M35 K36 E148 | V29-T32 WeakPolarHBondContact O-CB 3.43Å; V29-T32 WeakPolarHBondContact O-CG2 3.46Å; V29-T32 PolarHBondContact O-N 2.67Å; V29-T32 VanDerWaalsContact O-N 3.13Å; V29-T32 PolarHBondContact O-OG1 3.47Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 2.77Å; T32-V34 PolarHBondContact O-N 3.41Å; T32-M35 PolarHBondContact O-N 3.42Å; T32-M35 WeakPolarHBondContact OG1-CG 3.48Å; T32-M35 PolarHBondContact OG1-N 2.82Å; T32-K36 PolarHBondContact O-N 3.4Å; T32-E148 HydrophobicContact CG2-CG 3.99Å |
| 33 | E | 87.4 | Confident | 92.2 | Very high | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.1 | -35.4 | 173.2 | -64.2 | -51.3 | 123.6 | 0 | 0 | 111.7 | M35 K36 L37 | E33-M35 PolarHBondContact O-N 2.97Å; E33-K36 PolarHBondContact O-N 3.07Å; E33-K36 VanDerWaalsContact O-N 3.15Å; E33-K36 IonicContact OE1-NZ 2.67Å; E33-K36 PolarHBondContact OE1-NZ 3Å; E33-L37 WeakPolarHBondContact O-CB 3.33Å; E33-L37 WeakPolarHBondContact O-CG 3.47Å; E33-L37 PolarHBondContact O-N 2.92Å |
| 34 | V | 92.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54 | -38.5 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | T32 L37 L38 E148 F149 A152 | T32-V34 PolarHBondContact O-N 3.41Å; V34-L37 WeakPolarHBondContact O-CB 3.23Å; V34-L38 PolarHBondContact O-N 3.19Å; V34-E148 HydrophobicContact CB-CB 4.34Å; V34-E148 HydrophobicContact CB-CG 3.88Å; V34-E148 HydrophobicContact CG1-CB 4.32Å; V34-E148 HydrophobicContact CG1-CG 4.17Å; V34-E148 WeakPolarHBondContact CG1-O 3.34Å; V34-E148 HydrophobicContact CG2-CG 4.08Å; V34-F149 HydrophobicContact CG1-CB 4.45Å; V34-A152 HydrophobicContact CG1-CB 3.88Å |
| 35 | M | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -85.3 | -28.9 | 179.9 | -66 | -59.4 | -63.3 | 0 | 0 | 113.8 | V29 L30 T32 E33 L37 L38 R39 F56 L60 E148 | V29-M35 HydrophobicContact CG1-CE 3.97Å; V29-M35 HydrophobicContact CG1-CG 3.48Å; V29-M35 VanDerWaalsContact CG1-CG 3.48Å; V29-M35 HydrophobicContact CG1-SD 3.8Å; V29-M35 WeakPolarHBondContact O-CB 3.33Å; V29-M35 WeakPolarHBondContact O-CG 3.27Å; L30-M35 HydrophobicContact CD2-CB 4.34Å; L30-M35 HydrophobicContact CD2-CE 4.12Å; T32-M35 PolarHBondContact O-N 3.42Å; T32-M35 WeakPolarHBondContact OG1-CG 3.48Å; T32-M35 PolarHBondContact OG1-N 2.82Å; E33-M35 PolarHBondContact O-N 2.97Å; M35-L37 VanDerWaalsContact C-N 3.35Å; M35-L38 HydrophobicContact CE-CD2 3.56Å; M35-L38 PolarHBondContact O-N 3.37Å; M35-L38 HydrophobicContact SD-CB 4.49Å; M35-L38 HydrophobicContact SD-CD2 3.82Å; M35-R39 PolarHBondContact O-N 3.14Å; M35-F56 HydrophobicContact CE-CE1 4.19Å; M35-F56 HydrophobicContact CE-CZ 4.3Å; M35-L60 HydrophobicContact CE-CD1 4.18Å; M35-L60 HydrophobicContact CE-CD2 3.29Å; M35-L60 HydrophobicContact CE-CG 4.4Å; M35-E148 HydrophobicContact CG-CB 4.02Å; M35-E148 HydrophobicContact SD-CB 4.28Å |
| 36 | K | 90.7 | Very high | 90.3 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 168.8 | -62.4 | 171.5 | -161.4 | 166.4 | 0 | 110.2 | K31 T32 E33 R39 Q40 | K31-K36 WeakPolarHBondContact O-CE 3.46Å; K31-K36 PolarHBondContact O-NZ 3.21Å; T32-K36 PolarHBondContact O-N 3.4Å; E33-K36 PolarHBondContact O-N 3.07Å; E33-K36 VanDerWaalsContact O-N 3.15Å; E33-K36 IonicContact OE1-NZ 2.67Å; E33-K36 PolarHBondContact OE1-NZ 3Å; K36-R39 PolarHBondContact O-N 3.15Å; K36-Q40 WeakPolarHBondContact O-CB 3.36Å; K36-Q40 PolarHBondContact O-N 3.11Å |
| 37 | L | 88.3 | Confident | 89.7 | Confident | 42 Ų | 42 | 56 Ų | 56 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56 | -48.2 | 170.6 | -69.8 | 168.9 | 0 | 0 | 0 | 111.4 | E33 V34 M35 Q40 F41 L301 I312 F313 | E33-L37 WeakPolarHBondContact O-CB 3.33Å; E33-L37 WeakPolarHBondContact O-CG 3.47Å; E33-L37 PolarHBondContact O-N 2.92Å; V34-L37 WeakPolarHBondContact O-CB 3.23Å; M35-L37 VanDerWaalsContact C-N 3.35Å; L37-Q40 PolarHBondContact O-N 3.19Å; L37-F41 WeakPolarHBondContact O-CB 3.41Å; L37-F41 PolarHBondContact O-N 2.81Å; L37-L301 HydrophobicContact CD2-CD1 3.91Å; L37-L301 HydrophobicContact CD2-CD2 3.6Å; L37-L301 HydrophobicContact CD2-CG 4.38Å; L37-I312 HydrophobicContact CD2-CD1 3.63Å; L37-F313 HydrophobicContact CD1-CZ 3.82Å; L37-F313 HydrophobicContact CD2-CE2 4.1Å; L37-F313 HydrophobicContact CD2-CZ 3.87Å |
| 38 | L | 92.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 177.3 | -178.7 | 65.1 | 0 | 0 | 0 | 112.2 | V34 M35 Q40 F41 L42 F56 A152 T155 I156 | V34-L38 PolarHBondContact O-N 3.19Å; M35-L38 HydrophobicContact CE-CD2 3.56Å; M35-L38 PolarHBondContact O-N 3.37Å; M35-L38 HydrophobicContact SD-CB 4.49Å; M35-L38 HydrophobicContact SD-CD2 3.82Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.09Å; L38-F41 PolarHBondContact O-N 3.36Å; L38-L42 HydrophobicContact CD1-CD1 3.82Å; L38-L42 HydrophobicContact CD1-CG 4.07Å; L38-L42 HydrophobicContact CG-CD1 3.86Å; L38-L42 HydrophobicContact CG-CG 4.41Å; L38-L42 WeakPolarHBondContact O-CB 3.13Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.06Å; L38-L42 PolarHBondContact O-N 2.75Å; L38-F56 HydrophobicContact CD2-CZ 4.07Å; L38-F56 HydrophobicContact CG-CZ 4.14Å; L38-A152 HydrophobicContact CB-CB 4.17Å; L38-A152 HydrophobicContact CD1-CB 4.15Å; L38-A152 HydrophobicContact CD2-CB 4.02Å; L38-A152 HydrophobicContact CG-CB 4.34Å; L38-T155 HydrophobicContact CD1-CG2 4.4Å; L38-T155 HydrophobicContact CD2-CG2 4.43Å; L38-I156 HydrophobicContact CD1-CD1 3.78Å; L38-I156 HydrophobicContact CD1-CG1 3.51Å |
| 39 | R | 92.5 | Very high | 88.8 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 18% | 0.177 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 177.2 | -177.6 | -176.2 | 155.9 | -145 | 1.6 | 110.8 | M35 K36 F41 L42 R43 A50 N51 D53 F56 | M35-R39 PolarHBondContact O-N 3.14Å; K36-R39 PolarHBondContact O-N 3.15Å; R39-F41 VanDerWaalsContact C-N 3.31Å; R39-F41 PolarHBondContact O-N 3.09Å; R39-L42 PolarHBondContact O-N 2.99Å; R39-R43 VanDerWaalsContact O-CB 3.3Å; R39-R43 WeakPolarHBondContact O-CB 3.49Å; R39-R43 PolarHBondContact O-N 3.11Å; R39-A50 HydrophobicContact CG-CB 3.99Å; R39-A50 WeakPolarHBondContact CG-O 3.49Å; R39-A50 PolarHBondContact NE-O 3.48Å; R39-A50 WeakPolarHBondContact O-CB 3.39Å; R39-N51 PolarHBondContact NH2-O 3.25Å; R39-D53 VanDerWaalsContact CD-OD1 3.31Å; R39-D53 WeakPolarHBondContact CD-OD1 3.46Å; R39-D53 IonicContact CZ-OD1 2.66Å; R39-D53 IonicContact CZ-OD2 2.84Å; R39-D53 IonicContact NE-OD1 2.76Å; R39-D53 IonicContact NH1-OD1 2.62Å; R39-D53 PolarHBondContact NH1-OD1 2.61Å; R39-D53 IonicContact NH1-OD2 3.92Å; R39-D53 PolarHBondContact NH1-OD2 3.04Å; R39-D53 IonicContact NH2-OD2 2.7Å; R39-F56 HydrophobicContact CB-CD1 3.76Å; R39-F56 HydrophobicContact CB-CD2 4.37Å; R39-F56 HydrophobicContact CB-CE1 3.66Å; R39-F56 HydrophobicContact CB-CE2 4.29Å; R39-F56 HydrophobicContact CB-CG 4.12Å; R39-F56 HydrophobicContact CB-CZ 3.94Å; R39-F56 HydrophobicContact CG-CB 4.24Å; R39-F56 HydrophobicContact CG-CD1 3.86Å; R39-F56 HydrophobicContact CG-CD2 4.17Å; R39-F56 HydrophobicContact CG-CE1 4.27Å; R39-F56 HydrophobicContact CG-CG 3.81Å |
| 40 | Q | 86.4 | Confident | 88.5 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | -178.6 | -175.1 | 158.1 | 3 | 0 | 0 | 112.3 | K36 L37 L38 W44 L299 G300 L301 | K36-Q40 WeakPolarHBondContact O-CB 3.36Å; K36-Q40 PolarHBondContact O-N 3.11Å; L37-Q40 PolarHBondContact O-N 3.19Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.09Å; Q40-W44 WeakPolarHBondContact O-CB 2.98Å; Q40-W44 PolarHBondContact O-N 3.27Å; Q40-L299 VanDerWaalsContact CG-O 3.24Å; Q40-L299 WeakPolarHBondContact CG-O 3.16Å; Q40-L299 PolarHBondContact NE2-O 3.31Å; Q40-G300 PolarHBondContact NE2-O 3.33Å; Q40-L301 HydrophobicContact CB-CD2 4.49Å; Q40-L301 VanDerWaalsContact CD-CD2 3.41Å; Q40-L301 HydrophobicContact CG-CD2 4.01Å |
| 41 | F | 86 | Confident | 88.1 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 173.6 | 178 | -93.3 | 0 | 0 | 0 | 113.2 | L37 L38 R39 W44 C45 I156 L160 L299 | L37-F41 WeakPolarHBondContact O-CB 3.41Å; L37-F41 PolarHBondContact O-N 2.81Å; L38-F41 PolarHBondContact O-N 3.36Å; R39-F41 VanDerWaalsContact C-N 3.31Å; R39-F41 PolarHBondContact O-N 3.09Å; F41-W44 HydrophobicContact CD2-CE3 4.33Å; F41-W44 HydrophobicContact CE2-CE3 4.26Å; F41-W44 HydrophobicContact CE2-CZ3 4.16Å; F41-W44 PolarHBondContact O-N 3.12Å; F41-C45 PolarHBondContact O-N 3.44Å; F41-C45 PolarHBondContact O-SG 2.67Å; F41-I156 HydrophobicContact CD1-CD1 3.94Å; F41-I156 HydrophobicContact CD1-CG1 3.87Å; F41-I156 HydrophobicContact CE1-CB 4.41Å; F41-I156 HydrophobicContact CE1-CD1 4.1Å; F41-I156 HydrophobicContact CE1-CG1 3.82Å; F41-I156 HydrophobicContact CE1-CG2 3.83Å; F41-I156 HydrophobicContact CZ-CG2 4.24Å; F41-L160 HydrophobicContact CE1-CD1 3.55Å; F41-L160 HydrophobicContact CZ-CD1 3.55Å; F41-L299 HydrophobicContact CB-CD2 4Å; F41-L299 HydrophobicContact CD2-CD1 4.25Å; F41-L299 HydrophobicContact CD2-CD2 3.65Å; F41-L299 HydrophobicContact CG-CD2 4.23Å |
| 42 | L | 88.2 | Confident | 88 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 178.1 | -67.8 | 174.9 | 0 | 0 | 0 | 111.8 | L38 R39 W44 C45 G46 L47 A50 F56 W59 T155 L159 | L38-L42 HydrophobicContact CD1-CD1 3.82Å; L38-L42 HydrophobicContact CD1-CG 4.07Å; L38-L42 HydrophobicContact CG-CD1 3.86Å; L38-L42 HydrophobicContact CG-CG 4.41Å; L38-L42 WeakPolarHBondContact O-CB 3.13Å; L38-L42 VanDerWaalsContact O-CG 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.06Å; L38-L42 PolarHBondContact O-N 2.75Å; R39-L42 PolarHBondContact O-N 2.99Å; L42-W44 VanDerWaalsContact C-N 3.35Å; L42-W44 PolarHBondContact O-N 3.28Å; L42-C45 CarbonylContact O-C 3.13Å; L42-C45 WeakPolarHBondContact O-CA 3.37Å; L42-C45 WeakPolarHBondContact O-CB 3.46Å; L42-C45 PolarHBondContact O-N 3.48Å; L42-C45 VanDerWaalsContact O-N 3.16Å; L42-G46 PolarHBondContact O-N 3.23Å; L42-L47 HydrophobicContact CB-CB 4.1Å; L42-L47 HydrophobicContact CB-CD2 3.91Å; L42-L47 HydrophobicContact CD1-CD2 4.02Å; L42-L47 HydrophobicContact CD2-CD2 4.48Å; L42-L47 HydrophobicContact CG-CD2 4.36Å; L42-L47 VanDerWaalsContact O-CB 3.28Å; L42-L47 WeakPolarHBondContact O-CB 3.38Å; L42-L47 PolarHBondContact O-N 2.95Å; L42-A50 HydrophobicContact CB-CB 4.11Å; L42-F56 HydrophobicContact CD1-CE2 3.92Å; L42-F56 HydrophobicContact CD1-CZ 4.48Å; L42-W59 HydrophobicContact CD1-CH2 4.1Å; L42-W59 HydrophobicContact CD1-CZ3 4.02Å; L42-T155 HydrophobicContact CD1-CG2 4.12Å; L42-L159 HydrophobicContact CD1-CD1 4.38Å; L42-L159 HydrophobicContact CD2-CD1 3.67Å |
| 43 | R | 87.8 | Confident | 87.9 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 171.1 | -174.7 | 178.9 | 68 | -176 | -1 | 111.7 | R39 C45 G46 A50 N51 | R39-R43 VanDerWaalsContact O-CB 3.3Å; R39-R43 WeakPolarHBondContact O-CB 3.49Å; R39-R43 PolarHBondContact O-N 3.11Å; R43-C45 VanDerWaalsContact C-N 3.3Å; R43-C45 PolarHBondContact O-N 3.02Å; R43-G46 PolarHBondContact O-N 2.77Å; R43-A50 HydrophobicContact CB-CB 3.88Å; R43-N51 WeakPolarHBondContact CG-OD1 3.4Å |
| 44 | W | 79.8 | Confident | 88.1 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 46% | 0.462 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 174.8 | 173.9 | 77.1 | 0 | 0 | 0 | 112.9 | Q40 F41 L42 G46 K298 L299 | Q40-W44 WeakPolarHBondContact O-CB 2.98Å; Q40-W44 PolarHBondContact O-N 3.27Å; F41-W44 HydrophobicContact CD2-CE3 4.33Å; F41-W44 HydrophobicContact CE2-CE3 4.26Å; F41-W44 HydrophobicContact CE2-CZ3 4.16Å; F41-W44 PolarHBondContact O-N 3.12Å; L42-W44 VanDerWaalsContact C-N 3.35Å; L42-W44 PolarHBondContact O-N 3.28Å; W44-G46 PolarHBondContact O-N 3.16Å; W44-K298 VanDerWaalsContact CD1-O 3.28Å; W44-K298 HydrophobicContact CZ2-CB 4.49Å; W44-K298 HydrophobicContact CZ2-CD 4.38Å; W44-L299 HydrophobicContact CB-CD2 3.58Å; W44-L299 HydrophobicContact CD2-CD2 3.69Å; W44-L299 HydrophobicContact CD2-CG 4.2Å; W44-L299 HydrophobicContact CE3-CD2 3.7Å; W44-L299 HydrophobicContact CE3-CG 4.4Å; W44-L299 HydrophobicContact CG-CD2 3.64Å; W44-L299 HydrophobicContact CG-CG 4.24Å |
| 45 | C | 80.2 | Confident | 88.2 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 4.8 | 169.5 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | F41 L42 R43 | F41-C45 PolarHBondContact O-N 3.44Å; F41-C45 PolarHBondContact O-SG 2.67Å; L42-C45 CarbonylContact O-C 3.13Å; L42-C45 WeakPolarHBondContact O-CA 3.37Å; L42-C45 WeakPolarHBondContact O-CB 3.46Å; L42-C45 PolarHBondContact O-N 3.48Å; L42-C45 VanDerWaalsContact O-N 3.16Å; R43-C45 VanDerWaalsContact C-N 3.3Å; R43-C45 PolarHBondContact O-N 3.02Å |
| 46 | G | 82.4 | Confident | 88.2 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 9.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L42 R43 W44 S48 | L42-G46 PolarHBondContact O-N 3.23Å; R43-G46 PolarHBondContact O-N 2.77Å; W44-G46 PolarHBondContact O-N 3.16Å; G46-S48 PolarHBondContact O-N 3.37Å |
| 47 | L | 83.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 56 Ų | 56 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | trans | -72.3 | 102.6 | 178.3 | -171.7 | 70.5 | 0 | 0 | 0 | 110.5 | L42 T49 A50 W59 | L42-L47 HydrophobicContact CB-CB 4.1Å; L42-L47 HydrophobicContact CB-CD2 3.91Å; L42-L47 HydrophobicContact CD1-CD2 4.02Å; L42-L47 HydrophobicContact CD2-CD2 4.48Å; L42-L47 HydrophobicContact CG-CD2 4.36Å; L42-L47 VanDerWaalsContact O-CB 3.28Å; L42-L47 WeakPolarHBondContact O-CB 3.38Å; L42-L47 PolarHBondContact O-N 2.95Å; L47-T49 WeakPolarHBondContact CG-OG1 3.46Å; L47-T49 PolarHBondContact O-N 3.25Å; L47-A50 WeakPolarHBondContact O-CB 3.36Å; L47-A50 PolarHBondContact O-N 3.25Å; L47-W59 HydrophobicContact CD2-CD2 4.26Å; L47-W59 HydrophobicContact CD2-CE3 4.35Å; L47-W59 HydrophobicContact CD2-CH2 4.08Å; L47-W59 HydrophobicContact CD2-CZ2 3.95Å; L47-W59 HydrophobicContact CD2-CZ3 4.26Å | ||
| 48 | S | 84 | Confident | 88.8 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -56.9 | -32.1 | -175.5 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | G46 A50 N51 | G46-S48 PolarHBondContact O-N 3.37Å; S48-A50 PolarHBondContact O-N 2.94Å; S48-N51 VanDerWaalsContact O-CB 3.25Å; S48-N51 WeakPolarHBondContact O-CB 3.41Å; S48-N51 VanDerWaalsContact O-CG 3.28Å; S48-N51 PolarHBondContact O-N 2.78Å; S48-N51 VanDerWaalsContact O-N 3.11Å; S48-N51 PolarHBondContact O-ND2 2.95Å |
| 49 | T | 88.9 | Confident | 88.9 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -65.3 | -22.1 | 176.7 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | L47 N51 N55 F56 W59 | L47-T49 WeakPolarHBondContact CG-OG1 3.46Å; L47-T49 PolarHBondContact O-N 3.25Å; T49-N51 PolarHBondContact O-N 2.6Å; T49-N55 CarbonylContact O-C 2.96Å; T49-N55 VanDerWaalsContact O-C 3.22Å; T49-N55 WeakPolarHBondContact O-CB 3.23Å; T49-F56 VanDerWaalsContact O-CA 3.25Å; T49-F56 WeakPolarHBondContact O-CA 3.45Å; T49-F56 PolarHBondContact O-N 3.04Å; T49-W59 HydrophobicContact CG2-CB 3.89Å; T49-W59 HydrophobicContact CG2-CG 3.95Å; T49-W59 VanDerWaalsContact OG1-CG 3.24Å |
| 50 | A | 89.3 | Confident | 89 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.1 | -0.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R39 L42 R43 L47 S48 F56 | R39-A50 HydrophobicContact CG-CB 3.99Å; R39-A50 WeakPolarHBondContact CG-O 3.49Å; R39-A50 PolarHBondContact NE-O 3.48Å; R39-A50 WeakPolarHBondContact O-CB 3.39Å; L42-A50 HydrophobicContact CB-CB 4.11Å; R43-A50 HydrophobicContact CB-CB 3.88Å; L47-A50 WeakPolarHBondContact O-CB 3.36Å; L47-A50 PolarHBondContact O-N 3.25Å; S48-A50 PolarHBondContact O-N 2.94Å; A50-F56 HydrophobicContact CB-CD2 4.07Å |
| 51 | N | 87.9 | Confident | 89.5 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -67.1 | -41.1 | -178 | -74.8 | -21.1 | 0 | 0 | 0 | 113.2 | R39 R43 S48 T49 | R39-N51 PolarHBondContact NH2-O 3.25Å; R43-N51 WeakPolarHBondContact CG-OD1 3.4Å; S48-N51 VanDerWaalsContact O-CB 3.25Å; S48-N51 WeakPolarHBondContact O-CB 3.41Å; S48-N51 VanDerWaalsContact O-CG 3.28Å; S48-N51 PolarHBondContact O-N 2.78Å; S48-N51 VanDerWaalsContact O-N 3.11Å; S48-N51 PolarHBondContact O-ND2 2.95Å; T49-N51 PolarHBondContact O-N 2.6Å |
| 52 | S | 91.8 | Very high | 89.8 | Confident | 29 Ų | 29 | 62 Ų | 62 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -118.4 | 160.3 | 174.4 | 91.9 | 0 | 0 | 0 | 0 | 111.4 | E54 N55 F56 | S52-E54 WeakPolarHBondContact CB-OE2 3.3Å; S52-E54 PolarHBondContact OG-OE2 2.93Å; S52-N55 WeakPolarHBondContact OG-CB 3.37Å; S52-N55 PolarHBondContact OG-N 2.83Å; S52-N55 PolarHBondContact OG-ND2 3.13Å; S52-F56 WeakPolarHBondContact O-CB 3.22Å; S52-F56 PolarHBondContact O-N 3.02Å |
| 53 | D | 90.7 | Very high | 90.1 | Very high | 81 Ų | 81 | 63.6 Ų | 63.6 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.4 | -29.6 | -178.8 | -72.9 | -63.7 | 0 | 0 | 0 | 112.3 | R39 R57 | R39-D53 VanDerWaalsContact CD-OD1 3.31Å; R39-D53 WeakPolarHBondContact CD-OD1 3.46Å; R39-D53 IonicContact CZ-OD1 2.66Å; R39-D53 IonicContact CZ-OD2 2.84Å; R39-D53 IonicContact NE-OD1 2.76Å; R39-D53 IonicContact NH1-OD1 2.62Å; R39-D53 PolarHBondContact NH1-OD1 2.61Å; R39-D53 IonicContact NH1-OD2 3.92Å; R39-D53 PolarHBondContact NH1-OD2 3.04Å; R39-D53 IonicContact NH2-OD2 2.7Å; D53-R57 WeakPolarHBondContact O-CB 3.48Å; D53-R57 PolarHBondContact O-N 3.4Å |
| 54 | E | 92.6 | Very high | 90.5 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 60% | 0.603 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -70 | -47.6 | 177.7 | -47.9 | 66.8 | -141 | 0 | 0 | 110.3 | S52 R57 K58 | S52-E54 WeakPolarHBondContact CB-OE2 3.3Å; S52-E54 PolarHBondContact OG-OE2 2.93Å; E54-R57 PolarHBondContact O-N 2.04Å; E54-K58 WeakPolarHBondContact O-CB 3.34Å; E54-K58 PolarHBondContact O-N 3.45Å |
| 55 | N | 93.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.5 | -76.2 | -49.7 | 0 | 0 | 0 | 111.2 | T49 S52 K58 W59 | T49-N55 CarbonylContact O-C 2.96Å; T49-N55 VanDerWaalsContact O-C 3.22Å; T49-N55 WeakPolarHBondContact O-CB 3.23Å; S52-N55 WeakPolarHBondContact OG-CB 3.37Å; S52-N55 PolarHBondContact OG-N 2.83Å; S52-N55 PolarHBondContact OG-ND2 3.13Å; N55-K58 PolarHBondContact O-N 2.95Å; N55-W59 VanDerWaalsContact O-CB 3.25Å; N55-W59 WeakPolarHBondContact O-CB 3.46Å; N55-W59 PolarHBondContact O-N 2.82Å |
| 56 | F | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.8 | -176.1 | -118.7 | 0 | 0 | 0 | 111.1 | L30 M35 L38 R39 L42 T49 A50 S52 W59 L60 | L30-F56 HydrophobicContact CD2-CD1 3.66Å; L30-F56 HydrophobicContact CD2-CE1 3.56Å; M35-F56 HydrophobicContact CE-CE1 4.19Å; M35-F56 HydrophobicContact CE-CZ 4.3Å; L38-F56 HydrophobicContact CD2-CZ 4.07Å; L38-F56 HydrophobicContact CG-CZ 4.14Å; R39-F56 HydrophobicContact CB-CD1 3.76Å; R39-F56 HydrophobicContact CB-CD2 4.37Å; R39-F56 HydrophobicContact CB-CE1 3.66Å; R39-F56 HydrophobicContact CB-CE2 4.29Å; R39-F56 HydrophobicContact CB-CG 4.12Å; R39-F56 HydrophobicContact CB-CZ 3.94Å; R39-F56 HydrophobicContact CG-CB 4.24Å; R39-F56 HydrophobicContact CG-CD1 3.86Å; R39-F56 HydrophobicContact CG-CD2 4.17Å; R39-F56 HydrophobicContact CG-CE1 4.27Å; R39-F56 HydrophobicContact CG-CG 3.81Å; L42-F56 HydrophobicContact CD1-CE2 3.92Å; L42-F56 HydrophobicContact CD1-CZ 4.48Å; T49-F56 VanDerWaalsContact O-CA 3.25Å; T49-F56 WeakPolarHBondContact O-CA 3.45Å; T49-F56 PolarHBondContact O-N 3.04Å; A50-F56 HydrophobicContact CB-CD2 4.07Å; S52-F56 WeakPolarHBondContact O-CB 3.22Å; S52-F56 PolarHBondContact O-N 3.02Å; F56-W59 AromaticContact CD2-CE3 4Å; F56-W59 HydrophobicContact CD2-CE3 4Å; F56-W59 HydrophobicContact CD2-CZ3 4.36Å; F56-W59 AromaticContact CE2-CE3 3.88Å; F56-W59 HydrophobicContact CE2-CE3 3.88Å; F56-W59 AromaticContact CE2-CZ3 3.78Å; F56-W59 HydrophobicContact CE2-CZ3 3.78Å; F56-W59 PolarHBondContact O-N 3.3Å; F56-L60 HydrophobicContact CE1-CD2 4.45Å; F56-L60 WeakPolarHBondContact O-CB 3.35Å; F56-L60 PolarHBondContact O-N 3.31Å |
| 57 | R | 95.9 | Very high | 92 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 173.9 | -179.5 | -174.1 | -169.4 | -64.2 | -12.6 | 112.1 | D23 N27 L30 D53 E54 L60 K61 | D23-R57 VanDerWaalsContact CB-NH2 3.32Å; D23-R57 PolarHBondContact O-NH2 3.21Å; D23-R57 VanDerWaalsContact O-NH2 3.16Å; D23-R57 IonicContact OD1-CZ 2.74Å; D23-R57 VanDerWaalsContact OD1-CZ 3.24Å; D23-R57 IonicContact OD1-NH1 3.08Å; D23-R57 PolarHBondContact OD1-NH1 2.91Å; D23-R57 IonicContact OD1-NH2 3.23Å; D23-R57 PolarHBondContact OD1-NH2 3.33Å; N27-R57 VanDerWaalsContact OD1-CZ 3.23Å; N27-R57 PolarHBondContact OD1-NE 3.45Å; N27-R57 PolarHBondContact OD1-NH2 2.73Å; L30-R57 HydrophobicContact CD1-CB 3.69Å; L30-R57 HydrophobicContact CD1-CG 3.7Å; D53-R57 WeakPolarHBondContact O-CB 3.48Å; D53-R57 PolarHBondContact O-N 3.4Å; E54-R57 PolarHBondContact O-N 2.04Å; R57-L60 PolarHBondContact O-N 2.94Å; R57-K61 WeakPolarHBondContact O-CB 3.39Å; R57-K61 PolarHBondContact O-N 3.2Å |
| 58 | K | 95 | Very high | 92.3 | Very high | 157 Ų | 157 | 49.4 Ų | 49.4 | 68% | 0.683 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 179.2 | -176 | 178.9 | 179.3 | -178.9 | 0 | 111 | E54 N55 K61 D62 | E54-K58 WeakPolarHBondContact O-CB 3.34Å; E54-K58 PolarHBondContact O-N 3.45Å; N55-K58 PolarHBondContact O-N 2.95Å; K58-K61 PolarHBondContact O-N 2.89Å; K58-D62 WeakPolarHBondContact O-CB 3.04Å; K58-D62 PolarHBondContact O-N 3.3Å |
| 59 | W | 95.2 | Very high | 92.4 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | 172.2 | 82.3 | 0 | 0 | 0 | 112.4 | L42 L47 T49 N55 F56 K61 D62 Y63 T155 L159 | L42-W59 HydrophobicContact CD1-CH2 4.1Å; L42-W59 HydrophobicContact CD1-CZ3 4.02Å; L47-W59 HydrophobicContact CD2-CD2 4.26Å; L47-W59 HydrophobicContact CD2-CE3 4.35Å; L47-W59 HydrophobicContact CD2-CH2 4.08Å; L47-W59 HydrophobicContact CD2-CZ2 3.95Å; L47-W59 HydrophobicContact CD2-CZ3 4.26Å; T49-W59 HydrophobicContact CG2-CB 3.89Å; T49-W59 HydrophobicContact CG2-CG 3.95Å; T49-W59 VanDerWaalsContact OG1-CG 3.24Å; N55-W59 VanDerWaalsContact O-CB 3.25Å; N55-W59 WeakPolarHBondContact O-CB 3.46Å; N55-W59 PolarHBondContact O-N 2.82Å; F56-W59 AromaticContact CD2-CE3 4Å; F56-W59 HydrophobicContact CD2-CE3 4Å; F56-W59 HydrophobicContact CD2-CZ3 4.36Å; F56-W59 AromaticContact CE2-CE3 3.88Å; F56-W59 HydrophobicContact CE2-CE3 3.88Å; F56-W59 AromaticContact CE2-CZ3 3.78Å; F56-W59 HydrophobicContact CE2-CZ3 3.78Å; F56-W59 PolarHBondContact O-N 3.3Å; W59-K61 VanDerWaalsContact C-N 3.32Å; W59-K61 PolarHBondContact O-N 3.2Å; W59-D62 PolarHBondContact O-N 2.94Å; W59-Y63 HydrophobicContact CH2-CD1 4.25Å; W59-Y63 HydrophobicContact CH2-CG 4.2Å; W59-Y63 HydrophobicContact CZ2-CD1 4.31Å; W59-Y63 AromaticContact CZ2-CD2 3.9Å; W59-Y63 HydrophobicContact CZ2-CD2 3.9Å; W59-Y63 HydrophobicContact CZ2-CE2 4.39Å; W59-Y63 AromaticContact CZ2-CG 3.86Å; W59-Y63 HydrophobicContact CZ2-CG 3.86Å; W59-Y63 VanDerWaalsContact O-CB 3.24Å; W59-Y63 WeakPolarHBondContact O-CB 3.48Å; W59-Y63 PolarHBondContact O-N 2.95Å; W59-T155 HydrophobicContact CH2-CG2 3.7Å; W59-T155 HydrophobicContact CZ3-CG2 4.3Å; W59-L159 HydrophobicContact CH2-CD1 3.88Å; W59-L159 HydrophobicContact CZ2-CD1 3.98Å; W59-L159 HydrophobicContact CZ2-CD2 4.43Å |
| 60 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.5 | -35.8 | 179.1 | -172.6 | 75.2 | 0 | 0 | 0 | 111.5 | L26 L30 M35 F56 R57 W64 | L26-L60 HydrophobicContact CD2-CD2 3.84Å; L26-L60 HydrophobicContact CD2-CG 4.2Å; L30-L60 HydrophobicContact CD2-CD2 3.96Å; M35-L60 HydrophobicContact CE-CD1 4.18Å; M35-L60 HydrophobicContact CE-CD2 3.29Å; M35-L60 HydrophobicContact CE-CG 4.4Å; F56-L60 HydrophobicContact CE1-CD2 4.45Å; F56-L60 WeakPolarHBondContact O-CB 3.35Å; F56-L60 PolarHBondContact O-N 3.31Å; R57-L60 PolarHBondContact O-N 2.94Å; L60-W64 WeakPolarHBondContact O-CB 3.35Å; L60-W64 PolarHBondContact O-N 3.12Å; L60-W64 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 95.5 | Very high | 91 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -51.8 | 170.8 | -169.1 | 172.9 | 179.1 | -176.4 | 0 | 110.6 | E19 I22 D23 L26 R57 K58 W59 Y63 W64 F65 | E19-K61 VanDerWaalsContact OE2-CE 3.27Å; E19-K61 WeakPolarHBondContact OE2-CE 3.45Å; E19-K61 IonicContact OE2-NZ 3.38Å; E19-K61 PolarHBondContact OE2-NZ 2.85Å; I22-K61 HydrophobicContact CG2-CD 4.4Å; I22-K61 HydrophobicContact CG2-CG 4.16Å; D23-K61 IonicContact OD1-NZ 3.21Å; D23-K61 PolarHBondContact OD1-NZ 3.09Å; D23-K61 IonicContact OD2-NZ 2.72Å; D23-K61 PolarHBondContact OD2-NZ 3.1Å; L26-K61 HydrophobicContact CD1-CB 3.52Å; L26-K61 HydrophobicContact CD1-CD 4.11Å; L26-K61 HydrophobicContact CD1-CG 3.68Å; R57-K61 WeakPolarHBondContact O-CB 3.39Å; R57-K61 PolarHBondContact O-N 3.2Å; K58-K61 PolarHBondContact O-N 2.89Å; W59-K61 VanDerWaalsContact C-N 3.32Å; W59-K61 PolarHBondContact O-N 3.2Å; K61-Y63 PolarHBondContact O-N 3.02Å; K61-W64 PolarHBondContact O-N 3.37Å; K61-F65 WeakPolarHBondContact O-CA 3.37Å; K61-F65 VanDerWaalsContact O-CB 3.31Å; K61-F65 WeakPolarHBondContact O-CB 3.45Å; K61-F65 PolarHBondContact O-N 3.42Å |
| 62 | D | 93.7 | Very high | 89.9 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 179.2 | -171.8 | 93.8 | 0 | 0 | 0 | 112 | K58 W59 W64 S66 K188 | K58-D62 WeakPolarHBondContact O-CB 3.04Å; K58-D62 PolarHBondContact O-N 3.3Å; W59-D62 PolarHBondContact O-N 2.94Å; D62-W64 PolarHBondContact O-N 2.95Å; D62-S66 WeakPolarHBondContact CA-OG 3.4Å; D62-S66 WeakPolarHBondContact O-CB 3.33Å; D62-S66 PolarHBondContact O-N 3.46Å; D62-S66 VanDerWaalsContact O-N 3.16Å; D62-S66 PolarHBondContact O-OG 3Å; D62-S66 PolarHBondContact OD1-OG 3.14Å; D62-K188 IonicContact OD1-NZ 3.24Å; D62-K188 PolarHBondContact OD1-NZ 2.89Å; D62-K188 WeakPolarHBondContact OD2-CE 3.07Å; D62-K188 IonicContact OD2-NZ 2.74Å; D62-K188 PolarHBondContact OD2-NZ 3.36Å |
| 63 | Y | 94.1 | Very high | 89.1 | Confident | 35 Ų | 35 | 67 Ų | 67 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | -176.9 | -168.9 | -105 | 0 | 0 | 0 | 113.8 | W59 K61 T155 S158 L159 L191 | W59-Y63 HydrophobicContact CH2-CD1 4.25Å; W59-Y63 HydrophobicContact CH2-CG 4.2Å; W59-Y63 HydrophobicContact CZ2-CD1 4.31Å; W59-Y63 AromaticContact CZ2-CD2 3.9Å; W59-Y63 HydrophobicContact CZ2-CD2 3.9Å; W59-Y63 HydrophobicContact CZ2-CE2 4.39Å; W59-Y63 AromaticContact CZ2-CG 3.86Å; W59-Y63 HydrophobicContact CZ2-CG 3.86Å; W59-Y63 VanDerWaalsContact O-CB 3.24Å; W59-Y63 WeakPolarHBondContact O-CB 3.48Å; W59-Y63 PolarHBondContact O-N 2.95Å; K61-Y63 PolarHBondContact O-N 3.02Å; Y63-T155 HydrophobicContact CE1-CG2 4.31Å; Y63-S158 WeakPolarHBondContact OH-CB 3.38Å; Y63-S158 PolarHBondContact OH-OG 3.2Å; Y63-L159 HydrophobicContact CE2-CD2 3.98Å; Y63-L191 HydrophobicContact CE1-CB 4.18Å; Y63-L191 HydrophobicContact CE1-CD2 3.82Å |
| 64 | W | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -97.1 | -28.7 | -176.8 | -80.9 | 102.7 | 0 | 0 | 0 | 114.6 | L60 K61 D62 A79 F80 V83 F84 M151 A154 T155 L191 | L60-W64 WeakPolarHBondContact O-CB 3.35Å; L60-W64 PolarHBondContact O-N 3.12Å; L60-W64 VanDerWaalsContact O-N 3.16Å; K61-W64 PolarHBondContact O-N 3.37Å; D62-W64 PolarHBondContact O-N 2.95Å; W64-A79 HydrophobicContact CE3-CB 3.93Å; W64-A79 HydrophobicContact CZ3-CB 4.37Å; W64-A79 WeakPolarHBondContact O-CB 3.45Å; W64-A79 PolarHBondContact O-N 2.81Å; W64-F80 HydrophobicContact CB-CB 4.47Å; W64-F80 HydrophobicContact CE3-CB 4.25Å; W64-F80 HydrophobicContact CE3-CD2 4.5Å; W64-F80 VanDerWaalsContact O-CB 3.22Å; W64-F80 WeakPolarHBondContact O-CB 3.39Å; W64-F80 PolarHBondContact O-N 2.87Å; W64-V83 HydrophobicContact CH2-CB 4.08Å; W64-V83 HydrophobicContact CH2-CG1 4.22Å; W64-V83 HydrophobicContact CH2-CG2 3.97Å; W64-V83 HydrophobicContact CZ3-CB 3.7Å; W64-V83 HydrophobicContact CZ3-CG1 4.32Å; W64-V83 HydrophobicContact CZ3-CG2 3.65Å; W64-F84 HydrophobicContact CE3-CE2 4.48Å; W64-F84 HydrophobicContact CH2-CE2 4.04Å; W64-F84 HydrophobicContact CZ3-CD2 4.3Å; W64-F84 AromaticContact CZ3-CE2 3.93Å; W64-F84 HydrophobicContact CZ3-CE2 3.93Å; W64-M151 HydrophobicContact CB-CE 4.36Å; W64-M151 HydrophobicContact CD2-CE 4.06Å; W64-M151 HydrophobicContact CG-CE 3.74Å; W64-M151 HydrophobicContact CZ2-CB 4.4Å; W64-M151 HydrophobicContact CZ2-CG 4.43Å; W64-A154 HydrophobicContact CH2-CB 3.69Å; W64-A154 HydrophobicContact CZ2-CB 3.86Å; W64-T155 WeakPolarHBondContact CZ2-OG1 3.38Å; W64-T155 PolarHBondContact NE1-OG1 3.29Å; W64-L191 HydrophobicContact CE3-CD2 4.2Å; W64-L191 HydrophobicContact CH2-CD2 3.58Å; W64-L191 HydrophobicContact CZ2-CD2 3.92Å; W64-L191 HydrophobicContact CZ3-CD2 3.71Å |
| 65 | F | 93.4 | Very high | 88.1 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -124.5 | -0.5 | -166.5 | -59.9 | -90.2 | 0 | 0 | 0 | 114.6 | Y4 I22 F25 L26 K61 E67 F80 | Y4-F65 WeakPolarHBondContact OH-CD1 3.32Å; I22-F65 HydrophobicContact CB-CD1 4.31Å; I22-F65 HydrophobicContact CB-CE1 4.45Å; I22-F65 HydrophobicContact CD1-CB 4.31Å; I22-F65 HydrophobicContact CD1-CD1 3.79Å; I22-F65 HydrophobicContact CD1-CG 4.31Å; I22-F65 HydrophobicContact CG1-CD1 3.68Å; I22-F65 HydrophobicContact CG1-CE1 3.92Å; I22-F65 HydrophobicContact CG1-CG 4.38Å; I22-F65 HydrophobicContact CG2-CB 4.15Å; I22-F65 HydrophobicContact CG2-CD1 3.66Å; I22-F65 HydrophobicContact CG2-CD2 3.81Å; I22-F65 HydrophobicContact CG2-CE1 3.93Å; I22-F65 HydrophobicContact CG2-CE2 4.1Å; I22-F65 HydrophobicContact CG2-CG 3.59Å; I22-F65 HydrophobicContact CG2-CZ 4.15Å; F25-F65 AromaticContact CD1-CZ 3.84Å; F25-F65 HydrophobicContact CD1-CZ 3.84Å; F25-F65 AromaticContact CE1-CZ 3.95Å; F25-F65 HydrophobicContact CE1-CZ 3.95Å; L26-F65 HydrophobicContact CD1-CD2 4.42Å; L26-F65 HydrophobicContact CD1-CE2 4.31Å; L26-F65 HydrophobicContact CD2-CE2 3.97Å; L26-F65 HydrophobicContact CG-CE2 4.22Å; K61-F65 WeakPolarHBondContact O-CA 3.37Å; K61-F65 VanDerWaalsContact O-CB 3.31Å; K61-F65 WeakPolarHBondContact O-CB 3.45Å; K61-F65 PolarHBondContact O-N 3.42Å; F65-E67 PolarHBondContact O-N 3.28Å; F65-F80 HydrophobicContact CD1-CB 3.87Å; F65-F80 HydrophobicContact CD1-CD1 4.21Å; F65-F80 HydrophobicContact CD1-CG 4.08Å; F65-F80 HydrophobicContact CE1-CB 3.61Å; F65-F80 AromaticContact CE1-CD1 3.38Å; F65-F80 HydrophobicContact CE1-CD1 3.38Å; F65-F80 AromaticContact CE1-CD2 3.82Å; F65-F80 HydrophobicContact CE1-CD2 3.82Å; F65-F80 AromaticContact CE1-CE1 3.92Å; F65-F80 HydrophobicContact CE1-CE1 3.92Å; F65-F80 HydrophobicContact CE1-CE2 4.33Å; F65-F80 AromaticContact CE1-CG 3.31Å; F65-F80 HydrophobicContact CE1-CG 3.31Å; F65-F80 HydrophobicContact CE1-CZ 4.37Å; F65-F80 HydrophobicContact CE2-CD2 4.34Å; F65-F80 HydrophobicContact CE2-CG 4.46Å; F65-F80 HydrophobicContact CG-CB 4.46Å; F65-F80 HydrophobicContact CZ-CB 3.97Å; F65-F80 AromaticContact CZ-CD1 3.96Å; F65-F80 HydrophobicContact CZ-CD1 3.96Å; F65-F80 AromaticContact CZ-CD2 3.52Å; F65-F80 HydrophobicContact CZ-CD2 3.52Å; F65-F80 HydrophobicContact CZ-CE1 4.31Å; F65-F80 AromaticContact CZ-CE2 3.93Å; F65-F80 HydrophobicContact CZ-CE2 3.93Å; F65-F80 AromaticContact CZ-CG 3.54Å; F65-F80 HydrophobicContact CZ-CG 3.54Å; F65-F80 HydrophobicContact CZ-CZ 4.3Å |
| 66 | S | 91.5 | Very high | 87.6 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | trans | -64.3 | 131 | 169.4 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | D62 K188 | D62-S66 WeakPolarHBondContact CA-OG 3.4Å; D62-S66 WeakPolarHBondContact O-CB 3.33Å; D62-S66 PolarHBondContact O-N 3.46Å; D62-S66 VanDerWaalsContact O-N 3.16Å; D62-S66 PolarHBondContact O-OG 3Å; D62-S66 PolarHBondContact OD1-OG 3.14Å; S66-K188 PolarHBondContact OG-NZ 3.12Å | ||
| 67 | E | 89.6 | Confident | 87.4 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 147.2 | -177.5 | -52.3 | -171.3 | 130.9 | 0 | 0 | 111.6 | T14 K18 F65 V75 S77 | T14-E67 WeakPolarHBondContact CB-OE2 3.41Å; T14-E67 PolarHBondContact OG1-OE1 2.92Å; T14-E67 PolarHBondContact OG1-OE2 3.47Å; K18-E67 IonicContact NZ-OE1 2.78Å; K18-E67 PolarHBondContact NZ-OE1 2.9Å; F65-E67 PolarHBondContact O-N 3.28Å; E67-V75 HydrophobicContact CB-CG1 3.53Å; E67-S77 CarbonylContact C-O 3.58Å; E67-S77 WeakPolarHBondContact CA-O 3.37Å |
| 68 | Y | 89.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.9 | 178.7 | 54 | -101.3 | 0 | 0 | 0 | 111.5 | R70 D76 S77 I183 F190 E571 | Y68-R70 HydrophobicContact CE2-CG 4.2Å; Y68-R70 PolarHBondContact OH-NH2 3.26Å; Y68-R70 VanDerWaalsContact OH-NH2 3.15Å; Y68-D76 PolarHBondContact O-N 3.03Å; Y68-D76 VanDerWaalsContact O-N 3.08Å; Y68-S77 VanDerWaalsContact CD2-CB 3.43Å; Y68-S77 PolarHBondContact N-O 2.88Å; Y68-S77 PolarHBondContact O-N 3.15Å; Y68-S77 VanDerWaalsContact O-N 3.1Å; Y68-I183 HydrophobicContact CD1-CG2 4.19Å; Y68-I183 HydrophobicContact CD2-CG2 3.69Å; Y68-I183 HydrophobicContact CE1-CG2 4.21Å; Y68-I183 HydrophobicContact CE2-CG2 3.77Å; Y68-I183 HydrophobicContact CG-CG2 3.94Å; Y68-F190 HydrophobicContact CD1-CB 3.36Å; Y68-F190 AromaticContact CD1-CD1 3.67Å; Y68-F190 HydrophobicContact CD1-CD1 3.67Å; Y68-F190 HydrophobicContact CD1-CD2 4.34Å; Y68-F190 HydrophobicContact CD1-CE1 4.49Å; Y68-F190 AromaticContact CD1-CG 3.57Å; Y68-F190 HydrophobicContact CD1-CG 3.57Å; Y68-F190 HydrophobicContact CE1-CB 3.67Å; Y68-F190 HydrophobicContact CE1-CG 4.37Å; Y68-F190 HydrophobicContact CG-CB 4.23Å; Y68-F190 HydrophobicContact CG-CD1 4.4Å; Y68-F190 HydrophobicContact CG-CG 4.19Å; Y68-E571 WeakPolarHBondContact CE2-OE2 3.43Å; Y68-E571 PolarHBondContact OH-OE1 2.79Å; Y68-E571 VanDerWaalsContact OH-OE1 3.14Å; Y68-E571 PolarHBondContact OH-OE2 2.89Å |
| 69 | A | 86.4 | Confident | 87.2 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | trans | -97.1 | 125 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V74 V75 D76 R185 | A69-V74 WeakPolarHBondContact CA-O 3.26Å; A69-V74 WeakPolarHBondContact CB-O 3.39Å; A69-V75 HydrophobicContact CB-CG2 4.48Å; A69-D76 WeakPolarHBondContact CA-OD1 3.35Å; A69-R185 PolarHBondContact O-NE 2.85Å; A69-R185 PolarHBondContact O-NH2 3.01Å | ||
| 70 | R | 78.8 | Confident | 87.1 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -83.4 | -56.9 | 177.1 | -99.6 | -169.5 | -167.5 | -64.5 | -21 | 114.2 | V8 Y68 D76 S77 E87 I183 R185 S192 K570 E571 | V8-R70 HydrophobicContact CG1-CB 4.09Å; Y68-R70 HydrophobicContact CE2-CG 4.2Å; Y68-R70 PolarHBondContact OH-NH2 3.26Å; Y68-R70 VanDerWaalsContact OH-NH2 3.15Å; R70-D76 PolarHBondContact N-OD1 3.03Å; R70-S77 WeakPolarHBondContact CD-OG 3.27Å; R70-S77 VanDerWaalsContact CG-OG 3.31Å; R70-S77 WeakPolarHBondContact CG-OG 3.42Å; R70-E87 WeakPolarHBondContact CD-OE2 3.46Å; R70-E87 IonicContact NE-OE2 2.99Å; R70-E87 PolarHBondContact NE-OE2 3.46Å; R70-I183 HydrophobicContact CG-CD1 4.49Å; R70-R185 PolarHBondContact O-NH2 3.25Å; R70-S192 PolarHBondContact NH1-OG 2.98Å; R70-S192 PolarHBondContact NH2-O 2.87Å; R70-S192 PolarHBondContact NH2-OG 3.41Å; R70-K570 VanDerWaalsContact CZ-C 3.47Å; R70-K570 VanDerWaalsContact CZ-O 3.31Å; R70-K570 PolarHBondContact NH2-O 3.35Å; R70-E571 IonicContact CZ-OE2 3.41Å; R70-E571 IonicContact NE-OE2 2.77Å; R70-E571 PolarHBondContact NE-OE2 2.84Å; R70-E571 IonicContact NH2-OE2 2.89Å; R70-E571 PolarHBondContact NH2-OE2 2.99Å |
| 71 | R | 70.2 | Confident | 87 | Confident | 145 Ų | 145 | 46.6 Ų | 46.6 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -135 | 129.3 | -176.2 | -72.2 | 177.7 | 166.6 | -150.1 | -5.8 | 107.9 | E89 | R71-E89 WeakPolarHBondContact CD-OE1 3.15Å; R71-E89 IonicContact CZ-OE1 2.66Å; R71-E89 IonicContact CZ-OE2 2.75Å; R71-E89 IonicContact NE-OE1 3.37Å; R71-E89 PolarHBondContact NE-OE1 3.05Å; R71-E89 IonicContact NE-OE2 3.26Å; R71-E89 PolarHBondContact NE-OE2 3.31Å; R71-E89 IonicContact NH1-OE1 2.85Å; R71-E89 PolarHBondContact NH1-OE1 2.9Å; R71-E89 IonicContact NH1-OE2 3.81Å; R71-E89 PolarHBondContact NH1-OE2 3.28Å; R71-E89 IonicContact NH2-OE2 2.87Å |
| 72 | R | 64.9 | Low | 86.9 | Confident | 226 Ų | 226 | 45 Ų | 45 | 85% | 0.853 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 68.6 | -168.5 | -165.2 | -48.2 | 171.2 | 172.8 | 175.2 | -5.1 | 112 | V74 | R72-V74 VanDerWaalsContact C-N 3.35Š|
| 73 | K | 74.5 | Confident | 87 | Confident | 207 Ų | 207 | 41.5 Ų | 41.5 | 90% | 0.9 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -89.3 | 9.5 | -179.5 | -63.2 | -176.6 | 178.7 | 179.3 | 0 | 113.8 | ||
| 74 | V | 78.8 | Confident | 87 | Confident | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.255 | 18% | 0.178 | S | C | . | . | trans | -81.3 | 128.3 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | P11 A69 R72 D76 | P11-V74 HydrophobicContact CB-CG1 3.8Å; P11-V74 HydrophobicContact CG-CG1 4.39Å; A69-V74 WeakPolarHBondContact CA-O 3.26Å; A69-V74 WeakPolarHBondContact CB-O 3.39Å; R72-V74 VanDerWaalsContact C-N 3.35Å; V74-D76 HydrophobicContact CG1-CB 4.31Å | ||
| 75 | V | 83.7 | Confident | 86.9 | Confident | 68 Ų | 68 | 40 Ų | 40 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | trans | -83.8 | 112.2 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | P11 E12 E67 A69 | P11-V75 WeakPolarHBondContact CA-O 3.48Å; E12-V75 PolarHBondContact N-O 2.76Å; E67-V75 HydrophobicContact CB-CG1 3.53Å; A69-V75 HydrophobicContact CB-CG2 4.48Å | ||
| 76 | D | 84.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -141.6 | 4.6 | -160 | 60.9 | -23.4 | 0 | 0 | 0 | 114.2 | V8 G9 S10 Y68 A69 R70 V74 | V8-D76 WeakPolarHBondContact CG1-OD2 3.4Å; G9-D76 PolarHBondContact N-OD2 2.88Å; S10-D76 VanDerWaalsContact O-CB 3.32Å; S10-D76 WeakPolarHBondContact O-CB 3.34Å; Y68-D76 PolarHBondContact O-N 3.03Å; Y68-D76 VanDerWaalsContact O-N 3.08Å; A69-D76 WeakPolarHBondContact CA-OD1 3.35Å; R70-D76 PolarHBondContact N-OD1 3.03Å; V74-D76 HydrophobicContact CG1-CB 4.31Å | ||
| 77 | S | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 157 | -166.3 | -63 | 0 | 0 | 0 | 0 | 115.7 | E67 Y68 R70 E87 E571 | E67-S77 CarbonylContact C-O 3.58Å; E67-S77 WeakPolarHBondContact CA-O 3.37Å; Y68-S77 VanDerWaalsContact CD2-CB 3.43Å; Y68-S77 PolarHBondContact N-O 2.88Å; Y68-S77 PolarHBondContact O-N 3.15Å; Y68-S77 VanDerWaalsContact O-N 3.1Å; R70-S77 WeakPolarHBondContact CD-OG 3.27Å; R70-S77 VanDerWaalsContact CG-OG 3.31Å; R70-S77 WeakPolarHBondContact CG-OG 3.42Å; S77-E87 WeakPolarHBondContact CA-OE1 3.24Å; S77-E87 WeakPolarHBondContact CB-OE1 3.3Å; S77-E87 PolarHBondContact OG-OE1 2.72Å; S77-E87 PolarHBondContact OG-OE2 3.03Å; S77-E571 WeakPolarHBondContact CB-OE2 3.47Å |
| 78 | S | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 151.3 | 171.3 | 65.9 | 0 | 0 | 0 | 0 | 114 | F80 E81 H82 | S78-F80 PolarHBondContact O-N 3.45Å; S78-E81 CarbonylContact O-C 3.3Å; S78-E81 VanDerWaalsContact O-CA 3.27Å; S78-E81 WeakPolarHBondContact O-CA 3.35Å; S78-E81 WeakPolarHBondContact O-CB 3.44Å; S78-E81 PolarHBondContact O-N 2.77Å; S78-E81 VanDerWaalsContact OG-CB 3.27Å; S78-E81 WeakPolarHBondContact OG-CB 3.11Å; S78-E81 PolarHBondContact OG-N 2.94Å; S78-H82 PolarHBondContact O-N 3.31Å |
| 79 | A | 93.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.9 | -36.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | W64 H82 V83 L191 | W64-A79 HydrophobicContact CE3-CB 3.93Å; W64-A79 HydrophobicContact CZ3-CB 4.37Å; W64-A79 WeakPolarHBondContact O-CB 3.45Å; W64-A79 PolarHBondContact O-N 2.81Å; A79-H82 WeakPolarHBondContact O-CB 3.39Å; A79-H82 PolarHBondContact O-N 2.82Å; A79-V83 WeakPolarHBondContact O-CG2 3.21Å; A79-V83 PolarHBondContact O-N 3.07Å; A79-L191 VanDerWaalsContact CA-O 3.27Å; A79-L191 WeakPolarHBondContact CA-O 3.38Å; A79-L191 HydrophobicContact CB-CB 3.64Å; A79-L191 HydrophobicContact CB-CD2 4.2Å; A79-L191 HydrophobicContact CB-CG 3.94Å; A79-L191 WeakPolarHBondContact CB-O 3.4Å |
| 80 | F | 94 | Very high | 87 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74 | -34 | 175.8 | -172.5 | -97.3 | 0 | 0 | 0 | 111.9 | F25 W64 F65 S78 H82 F84 L85 M151 | F25-F80 HydrophobicContact CD1-CE2 4.4Å; F25-F80 HydrophobicContact CD1-CZ 4.39Å; F25-F80 HydrophobicContact CE1-CD2 4.36Å; F25-F80 AromaticContact CE1-CE2 3.49Å; F25-F80 HydrophobicContact CE1-CE2 3.49Å; F25-F80 VanDerWaalsContact CE1-CE2 3.49Å; F25-F80 AromaticContact CE1-CZ 3.79Å; F25-F80 HydrophobicContact CE1-CZ 3.79Å; F25-F80 AromaticContact CZ-CE2 3.72Å; F25-F80 HydrophobicContact CZ-CE2 3.72Å; F25-F80 AromaticContact CZ-CZ 3.91Å; F25-F80 HydrophobicContact CZ-CZ 3.91Å; W64-F80 HydrophobicContact CB-CB 4.47Å; W64-F80 HydrophobicContact CE3-CB 4.25Å; W64-F80 HydrophobicContact CE3-CD2 4.5Å; W64-F80 VanDerWaalsContact O-CB 3.22Å; W64-F80 WeakPolarHBondContact O-CB 3.39Å; W64-F80 PolarHBondContact O-N 2.87Å; F65-F80 HydrophobicContact CD1-CB 3.87Å; F65-F80 HydrophobicContact CD1-CD1 4.21Å; F65-F80 HydrophobicContact CD1-CG 4.08Å; F65-F80 HydrophobicContact CE1-CB 3.61Å; F65-F80 AromaticContact CE1-CD1 3.38Å; F65-F80 HydrophobicContact CE1-CD1 3.38Å; F65-F80 AromaticContact CE1-CD2 3.82Å; F65-F80 HydrophobicContact CE1-CD2 3.82Å; F65-F80 AromaticContact CE1-CE1 3.92Å; F65-F80 HydrophobicContact CE1-CE1 3.92Å; F65-F80 HydrophobicContact CE1-CE2 4.33Å; F65-F80 AromaticContact CE1-CG 3.31Å; F65-F80 HydrophobicContact CE1-CG 3.31Å; F65-F80 HydrophobicContact CE1-CZ 4.37Å; F65-F80 HydrophobicContact CE2-CD2 4.34Å; F65-F80 HydrophobicContact CE2-CG 4.46Å; F65-F80 HydrophobicContact CG-CB 4.46Å; F65-F80 HydrophobicContact CZ-CB 3.97Å; F65-F80 AromaticContact CZ-CD1 3.96Å; F65-F80 HydrophobicContact CZ-CD1 3.96Å; F65-F80 AromaticContact CZ-CD2 3.52Å; F65-F80 HydrophobicContact CZ-CD2 3.52Å; F65-F80 HydrophobicContact CZ-CE1 4.31Å; F65-F80 AromaticContact CZ-CE2 3.93Å; F65-F80 HydrophobicContact CZ-CE2 3.93Å; F65-F80 AromaticContact CZ-CG 3.54Å; F65-F80 HydrophobicContact CZ-CG 3.54Å; F65-F80 HydrophobicContact CZ-CZ 4.3Å; S78-F80 PolarHBondContact O-N 3.45Å; F80-H82 VanDerWaalsContact C-N 3.31Å; F80-H82 PolarHBondContact O-N 3.33Å; F80-F84 HydrophobicContact CD1-CB 4.17Å; F80-F84 HydrophobicContact CD2-CB 3.97Å; F80-F84 AromaticContact CD2-CD2 3.34Å; F80-F84 HydrophobicContact CD2-CD2 3.34Å; F80-F84 HydrophobicContact CD2-CE2 4.12Å; F80-F84 AromaticContact CD2-CG 3.83Å; F80-F84 HydrophobicContact CD2-CG 3.83Å; F80-F84 HydrophobicContact CE1-CB 3.92Å; F80-F84 HydrophobicContact CE2-CB 3.68Å; F80-F84 HydrophobicContact CE2-CD1 4.27Å; F80-F84 AromaticContact CE2-CD2 3.45Å; F80-F84 HydrophobicContact CE2-CD2 3.45Å; F80-F84 VanDerWaalsContact CE2-CD2 3.45Å; F80-F84 HydrophobicContact CE2-CE2 4.2Å; F80-F84 AromaticContact CE2-CG 3.5Å; F80-F84 HydrophobicContact CE2-CG 3.5Å; F80-F84 VanDerWaalsContact CE2-CG 3.5Å; F80-F84 HydrophobicContact CG-CB 4.2Å; F80-F84 HydrophobicContact CG-CD2 4.14Å; F80-F84 HydrophobicContact CZ-CB 3.66Å; F80-F84 HydrophobicContact CZ-CD2 4.32Å; F80-F84 AromaticContact CZ-CG 3.96Å; F80-F84 HydrophobicContact CZ-CG 3.96Å; F80-F84 CarbonylContact O-C 3.51Å; F80-F84 VanDerWaalsContact O-CA 3.27Å; F80-F84 WeakPolarHBondContact O-CA 3.46Å; F80-F84 VanDerWaalsContact O-CB 3.28Å; F80-F84 WeakPolarHBondContact O-CB 3.46Å; F80-F84 PolarHBondContact O-N 2.99Å; F80-L85 HydrophobicContact CD1-CD1 3.71Å; F80-L85 HydrophobicContact CD1-CD2 4.36Å; F80-L85 HydrophobicContact CD1-CG 3.84Å; F80-L85 HydrophobicContact CE1-CD1 3.78Å; F80-L85 HydrophobicContact CE1-CD2 3.82Å; F80-L85 HydrophobicContact CE1-CG 3.81Å; F80-L85 PolarHBondContact O-N 2.72Å; F80-L85 VanDerWaalsContact O-N 3.15Å; F80-M151 HydrophobicContact CE2-SD 4.29Å |
| 81 | E | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.8 | -45.3 | 166.6 | 172.7 | 135.1 | -127.3 | 0 | 0 | 111.1 | Y4 S78 L85 G86 E87 E571 K572 | Y4-E81 WeakPolarHBondContact CB-OE1 3.18Å; Y4-E81 HydrophobicContact CD1-CB 4.08Å; Y4-E81 VanDerWaalsContact CD1-OE2 3.29Å; Y4-E81 WeakPolarHBondContact CD1-OE2 3.3Å; Y4-E81 HydrophobicContact CE1-CB 4.34Å; S78-E81 CarbonylContact O-C 3.3Å; S78-E81 VanDerWaalsContact O-CA 3.27Å; S78-E81 WeakPolarHBondContact O-CA 3.35Å; S78-E81 WeakPolarHBondContact O-CB 3.44Å; S78-E81 PolarHBondContact O-N 2.77Å; S78-E81 VanDerWaalsContact OG-CB 3.27Å; S78-E81 WeakPolarHBondContact OG-CB 3.11Å; S78-E81 PolarHBondContact OG-N 2.94Å; E81-L85 CarbonylContact O-C 3.56Å; E81-L85 VanDerWaalsContact O-C 3.22Å; E81-L85 VanDerWaalsContact O-CA 3.23Å; E81-L85 WeakPolarHBondContact O-CA 3.25Å; E81-L85 PolarHBondContact O-N 3.06Å; E81-G86 VanDerWaalsContact CG-O 3.23Å; E81-G86 WeakPolarHBondContact CG-O 3.5Å; E81-G86 PolarHBondContact O-N 2.8Å; E81-G86 VanDerWaalsContact O-N 3.09Å; E81-G86 VanDerWaalsContact OE1-CA 3.23Å; E81-G86 WeakPolarHBondContact OE1-CA 3.34Å; E81-G86 PolarHBondContact OE1-N 3.04Å; E81-E87 HydrophobicContact CG-CG 4.18Å; E81-E571 HydrophobicContact CG-CG 4.33Å; E81-K572 WeakPolarHBondContact O-CB 2.94Å |
| 82 | H | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -63.2 | 173 | -173.7 | 101.4 | 0 | 0 | 0 | 112.9 | S78 A79 F80 F84 H97 S192 T193 K570 E571 K572 | S78-H82 PolarHBondContact O-N 3.31Å; A79-H82 WeakPolarHBondContact O-CB 3.39Å; A79-H82 PolarHBondContact O-N 2.82Å; F80-H82 VanDerWaalsContact C-N 3.31Å; F80-H82 PolarHBondContact O-N 3.33Å; H82-F84 VanDerWaalsContact C-N 3.29Å; H82-F84 PolarHBondContact O-N 3.41Å; H82-H97 AromaticContact NE2-CD2 3.29Å; H82-H97 PolarHBondContact NE2-CD2 3.22Å; H82-H97 VanDerWaalsContact NE2-CD2 3.29Å; H82-H97 AromaticContact NE2-NE2 3.68Å; H82-S192 WeakPolarHBondContact CB-O 3.48Å; H82-S192 PolarHBondContact ND1-O 2.94Å; H82-T193 PolarHBondContact CD2-OG1 3.01Å; H82-T193 WeakPolarHBondContact CE1-CB 3.38Å; H82-T193 PolarHBondContact CE1-OG1 2.87Å; H82-T193 VanDerWaalsContact CG-CA 3.46Å; H82-T193 VanDerWaalsContact ND1-CB 3.28Å; H82-T193 WeakPolarHBondContact ND1-CB 3.41Å; H82-T193 WeakPolarHBondContact NE2-CB 3.4Å; H82-T193 PolarHBondContact NE2-OG1 3.25Å; H82-K570 PolarHBondContact CE1-O 3.02Å; H82-K570 VanDerWaalsContact CE1-O 3.28Å; H82-K570 VanDerWaalsContact ND1-C 3.31Å; H82-K570 PolarHBondContact ND1-O 3.4Å; H82-E571 VanDerWaalsContact CA-OE1 3.23Å; H82-E571 WeakPolarHBondContact CA-OE1 2.98Å; H82-E571 HydrophobicContact CB-CG 3.86Å; H82-E571 VanDerWaalsContact CB-OE1 3.23Å; H82-E571 WeakPolarHBondContact CB-OE1 3.16Å; H82-E571 PolarHBondContact N-OE1 3.02Å; H82-E571 WeakPolarHBondContact ND1-CA 3.35Å; H82-E571 PolarHBondContact ND1-N 3.5Å; H82-K572 WeakPolarHBondContact O-CB 3.32Å; H82-K572 WeakPolarHBondContact O-CD 2.94Å; H82-K572 WeakPolarHBondContact O-CE 3.27Å; H82-K572 WeakPolarHBondContact O-CG 3.23Å |
| 83 | V | 94.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79 | -25.9 | -162.4 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | W64 A79 N98 K572 | W64-V83 HydrophobicContact CH2-CB 4.08Å; W64-V83 HydrophobicContact CH2-CG1 4.22Å; W64-V83 HydrophobicContact CH2-CG2 3.97Å; W64-V83 HydrophobicContact CZ3-CB 3.7Å; W64-V83 HydrophobicContact CZ3-CG1 4.32Å; W64-V83 HydrophobicContact CZ3-CG2 3.65Å; A79-V83 WeakPolarHBondContact O-CG2 3.21Å; A79-V83 PolarHBondContact O-N 3.07Å; V83-N98 WeakPolarHBondContact O-CB 3.29Å; V83-K572 WeakPolarHBondContact O-CE 3.21Å; V83-K572 PolarHBondContact O-NZ 2.87Å |
| 84 | F | 94.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -117 | -32.7 | -177.6 | -59.8 | -86.4 | 0 | 0 | 0 | 115.5 | W64 F80 H82 N98 R101 E150 M151 K572 | W64-F84 HydrophobicContact CE3-CE2 4.48Å; W64-F84 HydrophobicContact CH2-CE2 4.04Å; W64-F84 HydrophobicContact CZ3-CD2 4.3Å; W64-F84 AromaticContact CZ3-CE2 3.93Å; W64-F84 HydrophobicContact CZ3-CE2 3.93Å; F80-F84 HydrophobicContact CD1-CB 4.17Å; F80-F84 HydrophobicContact CD2-CB 3.97Å; F80-F84 AromaticContact CD2-CD2 3.34Å; F80-F84 HydrophobicContact CD2-CD2 3.34Å; F80-F84 HydrophobicContact CD2-CE2 4.12Å; F80-F84 AromaticContact CD2-CG 3.83Å; F80-F84 HydrophobicContact CD2-CG 3.83Å; F80-F84 HydrophobicContact CE1-CB 3.92Å; F80-F84 HydrophobicContact CE2-CB 3.68Å; F80-F84 HydrophobicContact CE2-CD1 4.27Å; F80-F84 AromaticContact CE2-CD2 3.45Å; F80-F84 HydrophobicContact CE2-CD2 3.45Å; F80-F84 VanDerWaalsContact CE2-CD2 3.45Å; F80-F84 HydrophobicContact CE2-CE2 4.2Å; F80-F84 AromaticContact CE2-CG 3.5Å; F80-F84 HydrophobicContact CE2-CG 3.5Å; F80-F84 VanDerWaalsContact CE2-CG 3.5Å; F80-F84 HydrophobicContact CG-CB 4.2Å; F80-F84 HydrophobicContact CG-CD2 4.14Å; F80-F84 HydrophobicContact CZ-CB 3.66Å; F80-F84 HydrophobicContact CZ-CD2 4.32Å; F80-F84 AromaticContact CZ-CG 3.96Å; F80-F84 HydrophobicContact CZ-CG 3.96Å; F80-F84 CarbonylContact O-C 3.51Å; F80-F84 VanDerWaalsContact O-CA 3.27Å; F80-F84 WeakPolarHBondContact O-CA 3.46Å; F80-F84 VanDerWaalsContact O-CB 3.28Å; F80-F84 WeakPolarHBondContact O-CB 3.46Å; F80-F84 PolarHBondContact O-N 2.99Å; H82-F84 VanDerWaalsContact C-N 3.29Å; H82-F84 PolarHBondContact O-N 3.41Å; F84-N98 HydrophobicContact CD1-CB 3.68Å; F84-N98 VanDerWaalsContact CD1-CG 3.43Å; F84-N98 HydrophobicContact CE1-CB 3.96Å; F84-N98 HydrophobicContact CG-CB 4.44Å; F84-R101 WeakPolarHBondContact O-CB 3.43Å; F84-R101 VanDerWaalsContact O-CD 3.29Å; F84-R101 WeakPolarHBondContact O-CD 3.45Å; F84-R101 WeakPolarHBondContact O-CG 3.42Å; F84-E150 HydrophobicContact CE1-CB 3.9Å; F84-E150 HydrophobicContact CZ-CB 3.75Å; F84-M151 HydrophobicContact CE1-CG 4.46Å; F84-M151 HydrophobicContact CE2-CG 3.57Å; F84-M151 HydrophobicContact CZ-CB 4.45Å; F84-M151 HydrophobicContact CZ-CG 3.52Å; F84-K572 VanDerWaalsContact C-CE 3.41Å; F84-K572 PolarHBondContact O-NZ 3.33Å |
| 85 | L | 92.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -117.4 | -97.6 | -168.8 | -38.5 | 178.6 | 0 | 0 | 0 | 120.5 | M1 Y4 F80 E81 R101 K572 Q573 | M1-L85 HydrophobicContact CB-CD2 3.54Å; M1-L85 HydrophobicContact CG-CD2 3.32Å; M1-L85 HydrophobicContact SD-CD2 3.63Å; Y4-L85 HydrophobicContact CD1-CD1 3.88Å; Y4-L85 HydrophobicContact CD2-CD1 3.11Å; Y4-L85 HydrophobicContact CE1-CD1 3.97Å; Y4-L85 HydrophobicContact CE2-CD1 3.24Å; Y4-L85 HydrophobicContact CG-CD1 3.43Å; Y4-L85 VanDerWaalsContact CG-CD1 3.43Å; F80-L85 HydrophobicContact CD1-CD1 3.71Å; F80-L85 HydrophobicContact CD1-CD2 4.36Å; F80-L85 HydrophobicContact CD1-CG 3.84Å; F80-L85 HydrophobicContact CE1-CD1 3.78Å; F80-L85 HydrophobicContact CE1-CD2 3.82Å; F80-L85 HydrophobicContact CE1-CG 3.81Å; F80-L85 PolarHBondContact O-N 2.72Å; F80-L85 VanDerWaalsContact O-N 3.15Å; E81-L85 CarbonylContact O-C 3.56Å; E81-L85 VanDerWaalsContact O-C 3.22Å; E81-L85 VanDerWaalsContact O-CA 3.23Å; E81-L85 WeakPolarHBondContact O-CA 3.25Å; E81-L85 PolarHBondContact O-N 3.06Å; L85-R101 PolarHBondContact O-NE 3.39Å; L85-R101 VanDerWaalsContact O-NE 3.1Å; L85-R101 PolarHBondContact O-NH2 3.38Å; L85-K572 WeakPolarHBondContact O-CD 2.83Å; L85-Q573 CarbonylContact O-C 3.52Å; L85-Q573 PolarHBondContact O-N 3.03Å |
| 86 | G | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -125.2 | 179.4 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | E81 K572 Q573 | E81-G86 VanDerWaalsContact CG-O 3.23Å; E81-G86 WeakPolarHBondContact CG-O 3.5Å; E81-G86 PolarHBondContact O-N 2.8Å; E81-G86 VanDerWaalsContact O-N 3.09Å; E81-G86 VanDerWaalsContact OE1-CA 3.23Å; E81-G86 WeakPolarHBondContact OE1-CA 3.34Å; E81-G86 PolarHBondContact OE1-N 3.04Å; G86-K572 VanDerWaalsContact C-CA 3.44Å; G86-K572 CarbonylContact C-O 3.55Å; G86-K572 CarbonylContact O-C 3.58Å; G86-K572 VanDerWaalsContact O-C 3.24Å; G86-K572 WeakPolarHBondContact O-CA 3.06Å; G86-K572 WeakPolarHBondContact O-CB 3.34Å; G86-K572 PolarHBondContact O-N 3.03Å; G86-Q573 VanDerWaalsContact CA-N 3.32Å | ||
| 87 | E | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | 108.8 | 86.2 | 178 | -65.7 | 179.7 | -128.3 | 0 | 0 | 121.6 | P6 V8 R70 S77 E81 E571 K572 | P6-E87 CarbonylContact O-C 3.54Å; P6-E87 WeakPolarHBondContact O-CA 3.23Å; P6-E87 PolarHBondContact O-N 3Å; V8-E87 HydrophobicContact CG2-CB 3.72Å; V8-E87 HydrophobicContact CG2-CG 3.99Å; V8-E87 WeakPolarHBondContact CG2-OE2 3.45Å; R70-E87 WeakPolarHBondContact CD-OE2 3.46Å; R70-E87 IonicContact NE-OE2 2.99Å; R70-E87 PolarHBondContact NE-OE2 3.46Å; S77-E87 WeakPolarHBondContact CA-OE1 3.24Å; S77-E87 WeakPolarHBondContact CB-OE1 3.3Å; S77-E87 PolarHBondContact OG-OE1 2.72Å; S77-E87 PolarHBondContact OG-OE2 3.03Å; E81-E87 HydrophobicContact CG-CG 4.18Å; E87-E571 HydrophobicContact CB-CB 3.75Å; E87-E571 HydrophobicContact CB-CG 3.75Å; E87-E571 HydrophobicContact CG-CB 4.3Å; E87-E571 HydrophobicContact CG-CG 3.94Å; E87-E571 CarbonylContact O-C 3.58Å; E87-E571 VanDerWaalsContact O-C 3.29Å; E87-E571 VanDerWaalsContact O-O 3.05Å; E87-E571 WeakPolarHBondContact OE1-CG 3.16Å; E87-E571 VanDerWaalsContact OE1-OE2 3.1Å; E87-E571 WeakPolarHBondContact OE2-CB 2.85Å; E87-E571 WeakPolarHBondContact OE2-CG 3.19Å; E87-K572 CarbonylContact C-O 3.38Å; E87-K572 VanDerWaalsContact CA-O 3.25Å; E87-K572 WeakPolarHBondContact CA-O 3Å; E87-K572 PolarHBondContact N-O 3.4Å; E87-K572 PolarHBondContact O-N 3.25Å | ||
| 88 | M | 90.9 | Very high | 92.6 | Very high | 29 Ų | 29 | 21.9 Ų | 21.9 | 14% | 0.143 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 154.1 | 165.7 | 66.1 | -174.1 | 160 | 0 | 0 | 112.2 | P6 K7 V8 K92 W131 N134 K572 Q573 | P6-M88 WeakPolarHBondContact O-CG 3.29Å; P6-M88 PolarHBondContact O-N 3.02Å; K7-M88 HydrophobicContact CB-CE 4.04Å; K7-M88 HydrophobicContact CG-CE 4.46Å; V8-M88 WeakPolarHBondContact CG2-O 3.5Å; V8-M88 PolarHBondContact N-O 3.22Å; M88-K92 WeakPolarHBondContact CA-O 3.29Å; M88-W131 HydrophobicContact CB-CE3 4.43Å; M88-W131 HydrophobicContact CB-CZ3 4.33Å; M88-W131 HydrophobicContact CE-CE3 4.43Å; M88-W131 HydrophobicContact CE-CH2 3.3Å; M88-W131 HydrophobicContact CE-CZ2 4.34Å; M88-W131 HydrophobicContact CE-CZ3 3.4Å; M88-W131 HydrophobicContact CG-CE3 4.38Å; M88-W131 HydrophobicContact CG-CZ3 3.86Å; M88-W131 HydrophobicContact SD-CE3 3.66Å; M88-W131 HydrophobicContact SD-CH2 3.63Å; M88-W131 HydrophobicContact SD-CZ3 3.17Å; M88-W131 WeakPolarHBondContact SD-CZ3 3.15Å; M88-N134 PolarHBondContact SD-ND2 2.87Å; M88-N134 VanDerWaalsContact SD-ND2 3.36Å; M88-K572 PolarHBondContact N-O 2.89Å; M88-Q573 HydrophobicContact CB-CG 4.25Å |
| 89 | E | 89.7 | Confident | 92.6 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 19% | 0.192 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.5 | 170.8 | -170.8 | -175.2 | -154.8 | 0 | 0 | 109.9 | V8 R71 G91 K92 L94 | V8-E89 HydrophobicContact CB-CB 4.5Å; V8-E89 HydrophobicContact CG2-CB 4.27Å; R71-E89 WeakPolarHBondContact CD-OE1 3.15Å; R71-E89 IonicContact CZ-OE1 2.66Å; R71-E89 IonicContact CZ-OE2 2.75Å; R71-E89 IonicContact NE-OE1 3.37Å; R71-E89 PolarHBondContact NE-OE1 3.05Å; R71-E89 IonicContact NE-OE2 3.26Å; R71-E89 PolarHBondContact NE-OE2 3.31Å; R71-E89 IonicContact NH1-OE1 2.85Å; R71-E89 PolarHBondContact NH1-OE1 2.9Å; R71-E89 IonicContact NH1-OE2 3.81Å; R71-E89 PolarHBondContact NH1-OE2 3.28Å; R71-E89 IonicContact NH2-OE2 2.87Å; E89-G91 PolarHBondContact O-N 3.12Å; E89-K92 PolarHBondContact N-O 3.36Å; E89-K92 VanDerWaalsContact N-O 3.17Å; E89-K92 PolarHBondContact O-N 3.12Å; E89-L94 HydrophobicContact CB-CD1 4.4Å; E89-L94 HydrophobicContact CB-CD2 4.41Å |
| 90 | N | 88.4 | Confident | 92.6 | Very high | 138 Ų | 138 | 23.8 Ų | 23.8 | 74% | 0.738 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 54.4 | 168 | -58.8 | -8.9 | 0 | 0 | 0 | 114.9 | K92 | N90-K92 VanDerWaalsContact C-N 3.31Å; N90-K92 PolarHBondContact O-N 2.98Å |
| 91 | G | 88.8 | Confident | 92.6 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 44% | 0.443 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 9.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E89 N134 G135 | E89-G91 PolarHBondContact O-N 3.12Å; G91-N134 VanDerWaalsContact C-OD1 3.23Å; G91-N134 WeakPolarHBondContact CA-OD1 3.4Å; G91-N134 PolarHBondContact N-OD1 3.25Å; G91-N134 CarbonylContact O-C 3.52Å; G91-N134 WeakPolarHBondContact O-CA 3.48Å; G91-G135 PolarHBondContact O-N 3.23Å |
| 92 | K | 92.3 | Very high | 92.6 | Very high | 140 Ų | 140 | 24.1 Ų | 24.1 | 61% | 0.609 | 13% | 0.127 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.4 | -170.3 | -64.5 | 180 | -176.9 | 177.4 | 0 | 114.3 | M88 E89 N90 L94 N134 G135 | M88-K92 WeakPolarHBondContact CA-O 3.29Å; E89-K92 PolarHBondContact N-O 3.36Å; E89-K92 VanDerWaalsContact N-O 3.17Å; E89-K92 PolarHBondContact O-N 3.12Å; N90-K92 VanDerWaalsContact C-N 3.31Å; N90-K92 PolarHBondContact O-N 2.98Å; K92-L94 HydrophobicContact CB-CD2 4.21Å; K92-N134 PolarHBondContact N-OD1 3.49Å; K92-G135 WeakPolarHBondContact CA-O 3.49Å |
| 93 | V | 93.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.8 | 170 | -167.3 | 0 | 0 | 0 | 0 | 109 | G95 L96 F129 G135 K136 Q573 | V93-G95 VanDerWaalsContact CG1-O 3.25Å; V93-G95 WeakPolarHBondContact CG1-O 3.16Å; V93-L96 HydrophobicContact CG1-CB 4.18Å; V93-F129 HydrophobicContact CB-CE2 4.27Å; V93-F129 HydrophobicContact CG1-CE2 3.82Å; V93-F129 HydrophobicContact CG1-CZ 4.45Å; V93-F129 HydrophobicContact CG2-CD2 4.37Å; V93-F129 HydrophobicContact CG2-CE2 4.04Å; V93-G135 PolarHBondContact N-O 2.82Å; V93-G135 VanDerWaalsContact N-O 3.12Å; V93-K136 HydrophobicContact CB-CB 3.65Å; V93-K136 HydrophobicContact CB-CD 4.16Å; V93-K136 HydrophobicContact CB-CG 3.9Å; V93-K136 HydrophobicContact CG1-CB 4.3Å; V93-K136 HydrophobicContact CG1-CD 4.08Å; V93-K136 HydrophobicContact CG1-CG 4.38Å; V93-K136 HydrophobicContact CG2-CB 3.57Å; V93-K136 HydrophobicContact CG2-CG 4.38Å; V93-K136 PolarHBondContact O-NZ 2.85Å; V93-Q573 HydrophobicContact CB-CG 4.06Å; V93-Q573 HydrophobicContact CG1-CB 3.98Å; V93-Q573 VanDerWaalsContact CG1-CD 3.41Å; V93-Q573 HydrophobicContact CG1-CG 3.41Å; V93-Q573 VanDerWaalsContact CG1-CG 3.41Å; V93-Q573 HydrophobicContact CG2-CG 4.18Å; V93-Q573 VanDerWaalsContact CG2-NE2 3.32Å |
| 94 | L | 90.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 24.6 Ų | 24.6 | 17% | 0.173 | 13% | 0.13 | C | C | . | . | trans | -92 | -21.5 | -177.8 | -17.2 | 168.4 | 0 | 0 | 0 | 111.9 | E89 K92 K136 K570 E571 | E89-L94 HydrophobicContact CB-CD1 4.4Å; E89-L94 HydrophobicContact CB-CD2 4.41Å; K92-L94 HydrophobicContact CB-CD2 4.21Å; L94-K136 PolarHBondContact O-NZ 3.34Å; L94-K570 HydrophobicContact CB-CB 4.26Å; L94-K570 HydrophobicContact CB-CD 4.15Å; L94-K570 HydrophobicContact CB-CG 3.95Å; L94-K570 HydrophobicContact CD1-CG 4.38Å; L94-E571 CarbonylContact C-O 3.25Å; L94-E571 WeakPolarHBondContact CA-O 3.32Å; L94-E571 WeakPolarHBondContact CB-O 3.28Å; L94-E571 WeakPolarHBondContact CG-O 3.44Å; L94-E571 PolarHBondContact N-O 2.89Å | ||
| 95 | G | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -127.2 | -144.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V93 H97 K136 E571 | V93-G95 VanDerWaalsContact CG1-O 3.25Å; V93-G95 WeakPolarHBondContact CG1-O 3.16Å; G95-H97 WeakPolarHBondContact CA-NE2 3.19Å; G95-K136 VanDerWaalsContact N-NZ 3.1Å; G95-K136 VanDerWaalsContact O-CD 3.28Å; G95-K136 WeakPolarHBondContact O-CD 3.01Å; G95-K136 WeakPolarHBondContact O-CE 2.78Å; G95-K136 PolarHBondContact O-NZ 2.04Å; G95-E571 PolarHBondContact N-O 3.46Å | ||
| 96 | L | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 95.2 | 80 | 174.1 | -168.7 | 69.5 | 0 | 0 | 0 | 114.5 | V93 R101 F102 L105 L111 F129 K572 | V93-L96 HydrophobicContact CG1-CB 4.18Å; L96-R101 HydrophobicContact CD1-CB 4.31Å; L96-R101 HydrophobicContact CD1-CG 3.7Å; L96-F102 HydrophobicContact CD2-CD2 3.76Å; L96-F102 HydrophobicContact CG-CD2 4.28Å; L96-L105 HydrophobicContact CD1-CD1 3.61Å; L96-L105 HydrophobicContact CD1-CG 4.2Å; L96-L105 HydrophobicContact CD2-CD1 3.49Å; L96-L105 VanDerWaalsContact CD2-CD1 3.49Å; L96-L105 HydrophobicContact CD2-CG 4.37Å; L96-L105 HydrophobicContact CG-CD1 4.23Å; L96-L111 HydrophobicContact CD2-CD1 3.83Å; L96-L111 HydrophobicContact CD2-CD2 3.91Å; L96-F129 HydrophobicContact CB-CE2 4.18Å; L96-F129 HydrophobicContact CB-CZ 3.85Å; L96-F129 HydrophobicContact CD2-CD2 4.25Å; L96-F129 HydrophobicContact CD2-CE2 3.51Å; L96-F129 HydrophobicContact CD2-CZ 3.64Å; L96-F129 HydrophobicContact CG-CE2 4.37Å; L96-F129 HydrophobicContact CG-CZ 4.1Å; L96-K572 HydrophobicContact CB-CD 4.22Å; L96-K572 HydrophobicContact CB-CG 3.75Å; L96-K572 HydrophobicContact CD1-CD 3.66Å; L96-K572 HydrophobicContact CD1-CG 4.12Å | ||
| 97 | H | 94.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | trans | -129.6 | -11.7 | -163.8 | -58.9 | -58.9 | 0 | 0 | 0 | 115.8 | H82 G95 G140 M141 F195 | H82-H97 AromaticContact NE2-CD2 3.29Å; H82-H97 PolarHBondContact NE2-CD2 3.22Å; H82-H97 VanDerWaalsContact NE2-CD2 3.29Å; H82-H97 AromaticContact NE2-NE2 3.68Å; G95-H97 WeakPolarHBondContact CA-NE2 3.19Å; H97-G140 WeakPolarHBondContact CA-O 3.05Å; H97-G140 WeakPolarHBondContact CB-O 3.47Å; H97-G140 PolarHBondContact ND1-O 3.38Å; H97-M141 WeakPolarHBondContact O-CA 3.26Å; H97-M141 VanDerWaalsContact O-CB 3.27Å; H97-M141 WeakPolarHBondContact O-CB 3.26Å; H97-F195 HydrophobicContact CB-CB 3.65Å; H97-F195 VanDerWaalsContact CD2-CB 3.41Å; H97-F195 WeakPolarHBondContact CD2-CB 3.38Å; H97-F195 AromaticContact CE1-CD2 3.82Å; H97-F195 AromaticContact CE1-CG 3.9Å; H97-F195 WeakPolarHBondContact ND1-CB 3.34Å; H97-F195 AromaticContact NE2-CG 3.95Å | ||
| 98 | N | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 117.1 | 170.3 | 164.5 | -118 | 0 | 0 | 0 | 109.2 | V83 F84 I100 R101 F102 E150 | V83-N98 WeakPolarHBondContact O-CB 3.29Å; F84-N98 HydrophobicContact CD1-CB 3.68Å; F84-N98 VanDerWaalsContact CD1-CG 3.43Å; F84-N98 HydrophobicContact CE1-CB 3.96Å; F84-N98 HydrophobicContact CG-CB 4.44Å; N98-I100 PolarHBondContact O-N 3.23Å; N98-I100 WeakPolarHBondContact OD1-CB 3.38Å; N98-R101 HydrophobicContact CB-CB 4.44Å; N98-R101 PolarHBondContact O-N 3.37Å; N98-R101 WeakPolarHBondContact OD1-CB 3.31Å; N98-R101 PolarHBondContact OD1-N 3.01Å; N98-F102 PolarHBondContact O-N 3.25Å; N98-E150 WeakPolarHBondContact CA-OE2 3.46Å; N98-E150 WeakPolarHBondContact CB-OE2 3.21Å; N98-E150 PolarHBondContact ND2-OE1 3.37Å; N98-E150 PolarHBondContact ND2-OE2 2.81Å |
| 99 | W | 93.9 | Very high | 92 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -27.2 | -177.8 | 82.5 | -73.7 | 0 | 0 | 0 | 112.1 | F102 A103 M141 L142 G144 S145 R684 | W99-F102 CarbonylContact O-C 3.55Å; W99-F102 PolarHBondContact O-N 3.21Å; W99-A103 HydrophobicContact CE3-CB 4.33Å; W99-A103 WeakPolarHBondContact O-CB 3.19Å; W99-A103 PolarHBondContact O-N 3.03Å; W99-M141 HydrophobicContact CB-CB 4.28Å; W99-M141 HydrophobicContact CB-CG 4.11Å; W99-M141 HydrophobicContact CB-SD 3.55Å; W99-M141 VanDerWaalsContact CB-SD 3.55Å; W99-L142 WeakPolarHBondContact CB-O 3.37Å; W99-G144 VanDerWaalsContact CE2-N 3.3Å; W99-S145 PolarHBondContact NE1-O 2.92Å; W99-S145 PolarHBondContact NE1-OG 2.87Å; W99-R684 VanDerWaalsContact CZ2-CZ 3.48Å |
| 100 | I | 93.9 | Very high | 92.1 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -51.2 | 173.7 | -63.5 | -173.3 | 0 | 0 | 0 | 108.9 | M1 N98 A103 Y104 S145 P147 R684 | M1-I100 HydrophobicContact CE-CG2 4.05Å; N98-I100 PolarHBondContact O-N 3.23Å; N98-I100 WeakPolarHBondContact OD1-CB 3.38Å; I100-A103 PolarHBondContact O-N 3.16Å; I100-Y104 PolarHBondContact O-N 2.95Å; I100-S145 WeakPolarHBondContact CD1-O 3.47Å; I100-P147 VanDerWaalsContact CD1-CD 3.46Å; I100-P147 HydrophobicContact CD1-CG 3.68Å; I100-R684 HydrophobicContact CB-CG 4.28Å; I100-R684 HydrophobicContact CG1-CG 4.04Å; I100-R684 HydrophobicContact CG2-CB 4.25Å; I100-R684 HydrophobicContact CG2-CG 3.93Å |
| 101 | R | 93.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 170.5 | -179.5 | 75.2 | 168.4 | 175.7 | -6 | 111.1 | M1 F84 L85 L96 N98 A103 Y104 L105 K572 Q573 | M1-R101 PolarHBondContact O-NH1 2.84Å; M1-R101 HydrophobicContact SD-CB 4.32Å; F84-R101 WeakPolarHBondContact O-CB 3.43Å; F84-R101 VanDerWaalsContact O-CD 3.29Å; F84-R101 WeakPolarHBondContact O-CD 3.45Å; F84-R101 WeakPolarHBondContact O-CG 3.42Å; L85-R101 PolarHBondContact O-NE 3.39Å; L85-R101 VanDerWaalsContact O-NE 3.1Å; L85-R101 PolarHBondContact O-NH2 3.38Å; L96-R101 HydrophobicContact CD1-CB 4.31Å; L96-R101 HydrophobicContact CD1-CG 3.7Å; N98-R101 HydrophobicContact CB-CB 4.44Å; N98-R101 PolarHBondContact O-N 3.37Å; N98-R101 WeakPolarHBondContact OD1-CB 3.31Å; N98-R101 PolarHBondContact OD1-N 3.01Å; R101-A103 VanDerWaalsContact C-N 3.3Å; R101-A103 PolarHBondContact O-N 3.46Å; R101-Y104 VanDerWaalsContact NH1-CD1 3.34Å; R101-Y104 CarbonylContact O-C 3.49Å; R101-Y104 WeakPolarHBondContact O-CA 3.45Å; R101-Y104 VanDerWaalsContact O-CB 3.24Å; R101-Y104 WeakPolarHBondContact O-CB 3.34Å; R101-Y104 PolarHBondContact O-N 3.34Å; R101-L105 HydrophobicContact CG-CD1 4.47Å; R101-L105 HydrophobicContact CG-CD2 3.9Å; R101-L105 HydrophobicContact CG-CG 4.13Å; R101-L105 VanDerWaalsContact O-CD2 3.29Å; R101-L105 WeakPolarHBondContact O-CD2 3.48Å; R101-L105 WeakPolarHBondContact O-CG 3.26Å; R101-L105 PolarHBondContact O-N 3.42Å; R101-K572 HydrophobicContact CG-CD 4.48Å; R101-Q573 PolarHBondContact NE-O 2.83Å; R101-Q573 VanDerWaalsContact NE-O 3.16Å; R101-Q573 PolarHBondContact NH2-O 3.15Å |
| 102 | F | 94.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | -179.3 | -179.2 | -94.3 | 0 | 0 | 0 | 113 | L96 N98 W99 L105 E106 L111 Y113 I127 F129 M141 | L96-F102 HydrophobicContact CD2-CD2 3.76Å; L96-F102 HydrophobicContact CG-CD2 4.28Å; N98-F102 PolarHBondContact O-N 3.25Å; W99-F102 CarbonylContact O-C 3.55Å; W99-F102 PolarHBondContact O-N 3.21Å; F102-L105 CarbonylContact O-C 3.51Å; F102-L105 WeakPolarHBondContact O-CA 3.29Å; F102-L105 WeakPolarHBondContact O-CB 3.24Å; F102-L105 PolarHBondContact O-N 3.36Å; F102-E106 WeakPolarHBondContact CE1-OE2 3.4Å; F102-E106 PolarHBondContact O-N 2.74Å; F102-L111 HydrophobicContact CD2-CD2 3.91Å; F102-L111 HydrophobicContact CE2-CD2 3.88Å; F102-Y113 HydrophobicContact CZ-CD2 4.37Å; F102-I127 HydrophobicContact CD2-CD1 4.17Å; F102-I127 HydrophobicContact CE1-CD1 3.94Å; F102-I127 HydrophobicContact CE2-CD1 3.34Å; F102-I127 HydrophobicContact CZ-CD1 3.16Å; F102-F129 HydrophobicContact CD2-CD1 4.4Å; F102-F129 HydrophobicContact CD2-CE1 4.36Å; F102-F129 HydrophobicContact CE2-CB 4.18Å; F102-F129 AromaticContact CE2-CD1 3.57Å; F102-F129 HydrophobicContact CE2-CD1 3.57Å; F102-F129 AromaticContact CE2-CE1 3.94Å; F102-F129 HydrophobicContact CE2-CE1 3.94Å; F102-F129 AromaticContact CE2-CG 3.87Å; F102-F129 HydrophobicContact CE2-CG 3.87Å; F102-F129 HydrophobicContact CZ-CD1 4.37Å; F102-M141 HydrophobicContact CB-CE 3.73Å; F102-M141 HydrophobicContact CB-SD 4.16Å; F102-M141 HydrophobicContact CD1-CE 3.59Å; F102-M141 HydrophobicContact CD1-SD 3.92Å; F102-M141 HydrophobicContact CD2-CE 3.49Å; F102-M141 VanDerWaalsContact CD2-CE 3.49Å; F102-M141 HydrophobicContact CE1-CE 3.92Å; F102-M141 HydrophobicContact CE1-SD 4.42Å; F102-M141 HydrophobicContact CE2-CE 3.87Å; F102-M141 HydrophobicContact CG-CE 3.33Å; F102-M141 HydrophobicContact CG-SD 4.06Å; F102-M141 HydrophobicContact CZ-CE 4.03Å |
| 103 | A | 93.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 7% | 0.066 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | W99 I100 R101 L105 E106 R684 R685 | W99-A103 HydrophobicContact CE3-CB 4.33Å; W99-A103 WeakPolarHBondContact O-CB 3.19Å; W99-A103 PolarHBondContact O-N 3.03Å; I100-A103 PolarHBondContact O-N 3.16Å; R101-A103 VanDerWaalsContact C-N 3.3Å; R101-A103 PolarHBondContact O-N 3.46Å; A103-L105 PolarHBondContact O-N 2.68Å; A103-E106 CarbonylContact O-C 3.29Å; A103-E106 WeakPolarHBondContact O-CA 3.48Å; A103-E106 PolarHBondContact O-N 3.36Å; A103-R684 HydrophobicContact CB-CB 4.49Å; A103-R685 VanDerWaalsContact CA-NH1 3.3Å; A103-R685 WeakPolarHBondContact O-CD 3.38Å; A103-R685 PolarHBondContact O-NH1 3.5Å |
| 104 | Y | 92 | Very high | 92.6 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.8 | -37 | 164.2 | 177.3 | -138 | 0 | 0 | 0 | 111.7 | N2 I100 R101 E106 A107 R108 P575 R684 R685 N686 | N2-Y104 PolarHBondContact ND2-OH 3.08Å; N2-Y104 VanDerWaalsContact OD1-CE1 3.26Å; N2-Y104 WeakPolarHBondContact OD1-CE1 3.37Å; N2-Y104 PolarHBondContact OD1-OH 3.01Å; I100-Y104 PolarHBondContact O-N 2.95Å; R101-Y104 VanDerWaalsContact NH1-CD1 3.34Å; R101-Y104 CarbonylContact O-C 3.49Å; R101-Y104 WeakPolarHBondContact O-CA 3.45Å; R101-Y104 VanDerWaalsContact O-CB 3.24Å; R101-Y104 WeakPolarHBondContact O-CB 3.34Å; R101-Y104 PolarHBondContact O-N 3.34Å; Y104-E106 VanDerWaalsContact C-N 3.3Å; Y104-A107 PolarHBondContact O-N 3.4Å; Y104-R108 HydrophobicContact CE2-CG 4.21Å; Y104-R108 VanDerWaalsContact OH-CZ 3.24Å; Y104-R108 PolarHBondContact OH-NE 3.37Å; Y104-R108 PolarHBondContact OH-NH1 3.28Å; Y104-R108 VanDerWaalsContact OH-NH1 3.11Å; Y104-P575 HydrophobicContact CD1-CB 4.41Å; Y104-P575 HydrophobicContact CE1-CB 4.4Å; Y104-P575 HydrophobicContact CE1-CG 4.19Å; Y104-P575 WeakPolarHBondContact O-CB 3.23Å; Y104-R684 WeakPolarHBondContact CA-O 3.19Å; Y104-R684 WeakPolarHBondContact CB-O 3.23Å; Y104-R684 PolarHBondContact N-O 2.75Å; Y104-R685 WeakPolarHBondContact CD2-O 3.36Å; Y104-R685 WeakPolarHBondContact CE2-O 3.11Å; Y104-N686 VanDerWaalsContact CB-ND2 3.34Å; Y104-N686 WeakPolarHBondContact CB-ND2 3.19Å; Y104-N686 HydrophobicContact CD1-CB 3.83Å; Y104-N686 HydrophobicContact CD2-CB 3.65Å; Y104-N686 HydrophobicContact CE1-CB 3.8Å; Y104-N686 HydrophobicContact CE2-CB 3.6Å; Y104-N686 HydrophobicContact CG-CB 3.72Å; Y104-N686 VanDerWaalsContact CG-ND2 3.35Å |
| 105 | L | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -56.8 | 174.8 | -50 | -152.3 | 0 | 0 | 0 | 104.8 | L96 R101 F102 A103 A107 L111 Q573 K574 P575 K576 | L96-L105 HydrophobicContact CD1-CD1 3.61Å; L96-L105 HydrophobicContact CD1-CG 4.2Å; L96-L105 HydrophobicContact CD2-CD1 3.49Å; L96-L105 VanDerWaalsContact CD2-CD1 3.49Å; L96-L105 HydrophobicContact CD2-CG 4.37Å; L96-L105 HydrophobicContact CG-CD1 4.23Å; R101-L105 HydrophobicContact CG-CD1 4.47Å; R101-L105 HydrophobicContact CG-CD2 3.9Å; R101-L105 HydrophobicContact CG-CG 4.13Å; R101-L105 VanDerWaalsContact O-CD2 3.29Å; R101-L105 WeakPolarHBondContact O-CD2 3.48Å; R101-L105 WeakPolarHBondContact O-CG 3.26Å; R101-L105 PolarHBondContact O-N 3.42Å; F102-L105 CarbonylContact O-C 3.51Å; F102-L105 WeakPolarHBondContact O-CA 3.29Å; F102-L105 WeakPolarHBondContact O-CB 3.24Å; F102-L105 PolarHBondContact O-N 3.36Å; A103-L105 PolarHBondContact O-N 2.68Å; L105-A107 PolarHBondContact O-N 2.74Å; L105-L111 HydrophobicContact CB-CB 4.28Å; L105-L111 HydrophobicContact CB-CD2 3.31Å; L105-L111 HydrophobicContact CB-CG 4.3Å; L105-L111 HydrophobicContact CD1-CD1 4.19Å; L105-L111 HydrophobicContact CD1-CD2 3.92Å; L105-L111 HydrophobicContact CG-CD2 4.15Å; L105-Q573 HydrophobicContact CD1-CB 4.23Å; L105-K574 WeakPolarHBondContact CD1-O 3.4Å; L105-P575 VanDerWaalsContact CA-CB 3.45Å; L105-P575 HydrophobicContact CB-CB 4.25Å; L105-P575 HydrophobicContact CD2-CB 3.82Å; L105-P575 CarbonylContact O-C 3.22Å; L105-P575 VanDerWaalsContact O-CA 3.28Å; L105-P575 WeakPolarHBondContact O-CA 3.23Å; L105-P575 VanDerWaalsContact O-CB 3.23Å; L105-P575 WeakPolarHBondContact O-CB 3.28Å; L105-K576 VanDerWaalsContact C-CG 3.45Å; L105-K576 VanDerWaalsContact C-N 3.25Å; L105-K576 CarbonylContact C-O 2.99Å; L105-K576 HydrophobicContact CB-CG 4.24Å; L105-K576 CarbonylContact O-C 3.44Å; L105-K576 VanDerWaalsContact O-C 3.25Å; L105-K576 WeakPolarHBondContact O-CA 3.27Å; L105-K576 PolarHBondContact O-N 3.21Å |
| 106 | E | 92.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 48.3 | 169.9 | -132.6 | 131.3 | -145.7 | 0 | 0 | 118.2 | F102 A103 Y104 K576 N577 I578 T579 D582 R685 | F102-E106 WeakPolarHBondContact CE1-OE2 3.4Å; F102-E106 PolarHBondContact O-N 2.74Å; A103-E106 CarbonylContact O-C 3.29Å; A103-E106 WeakPolarHBondContact O-CA 3.48Å; A103-E106 PolarHBondContact O-N 3.36Å; Y104-E106 VanDerWaalsContact C-N 3.3Å; E106-K576 CarbonylContact C-O 3.52Å; E106-K576 HydrophobicContact CB-CD 3.56Å; E106-K576 HydrophobicContact CB-CG 4.27Å; E106-K576 HydrophobicContact CG-CB 4.49Å; E106-K576 HydrophobicContact CG-CD 3.34Å; E106-K576 HydrophobicContact CG-CG 4.35Å; E106-K576 WeakPolarHBondContact OE1-CD 3.46Å; E106-K576 WeakPolarHBondContact OE1-CE 3.18Å; E106-K576 IonicContact OE1-NZ 2.69Å; E106-K576 PolarHBondContact OE1-NZ 3.29Å; E106-K576 WeakPolarHBondContact OE2-CD 3.43Å; E106-K576 IonicContact OE2-NZ 3.15Å; E106-K576 PolarHBondContact OE2-NZ 3.17Å; E106-N577 CarbonylContact C-O 3.57Å; E106-N577 WeakPolarHBondContact CG-O 3.28Å; E106-I578 VanDerWaalsContact O-CA 3.3Å; E106-I578 WeakPolarHBondContact O-CA 3.06Å; E106-I578 WeakPolarHBondContact O-CG1 3.48Å; E106-I578 PolarHBondContact O-N 2.53Å; E106-T579 HydrophobicContact CG-CG2 3.95Å; E106-T579 WeakPolarHBondContact OE1-CG2 3.46Å; E106-D582 VanDerWaalsContact CG-OD1 3.25Å; E106-D582 WeakPolarHBondContact CG-OD1 3.42Å; E106-D582 WeakPolarHBondContact CG-OD2 3.42Å; E106-R685 PolarHBondContact O-NE 2.82Å; E106-R685 PolarHBondContact O-NH1 2.78Å |
| 107 | A | 90.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -150 | -6.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | Y104 L105 K576 I578 R685 G868 | Y104-A107 PolarHBondContact O-N 3.4Å; L105-A107 PolarHBondContact O-N 2.74Å; A107-K576 CarbonylContact C-O 3.58Å; A107-K576 VanDerWaalsContact CA-O 3.27Å; A107-K576 WeakPolarHBondContact CA-O 3.34Å; A107-K576 PolarHBondContact N-O 3.31Å; A107-I578 HydrophobicContact CB-CD1 4.44Å; A107-I578 HydrophobicContact CB-CG1 3.89Å; A107-R685 HydrophobicContact CB-CB 3.79Å; A107-R685 HydrophobicContact CB-CG 3.8Å; A107-G868 CarbonylContact C-O 3.4Å; A107-G868 CarbonylContact O-C 3.56Å; A107-G868 WeakPolarHBondContact O-CA 3.37Å |
| 108 | R | 88.1 | Confident | 91.4 | Very high | 107 Ų | 107 | 39 Ų | 39 | 40% | 0.404 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -134.6 | 39.5 | -178.1 | -53.4 | -175.3 | 169.9 | -165.4 | 5 | 118.2 | Y104 A110 P575 K576 N686 | Y104-R108 HydrophobicContact CE2-CG 4.21Å; Y104-R108 VanDerWaalsContact OH-CZ 3.24Å; Y104-R108 PolarHBondContact OH-NE 3.37Å; Y104-R108 PolarHBondContact OH-NH1 3.28Å; Y104-R108 VanDerWaalsContact OH-NH1 3.11Å; R108-A110 PolarHBondContact O-N 2.75Å; R108-P575 CarbonylContact C-O 3.41Å; R108-P575 HydrophobicContact CB-CB 4.17Å; R108-P575 HydrophobicContact CB-CG 3.9Å; R108-P575 HydrophobicContact CG-CG 4.49Å; R108-K576 CarbonylContact C-O 3.55Å; R108-K576 WeakPolarHBondContact CA-O 3.1Å; R108-K576 PolarHBondContact N-O 3.03Å; R108-N686 PolarHBondContact NH2-O 3.12Å; R108-N686 VanDerWaalsContact NH2-O 3.1Å |
| 109 | G | 89 | Confident | 90.8 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 89.8 | -42.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 120 | P575 K576 N577 | G109-P575 CarbonylContact C-O 3.03Å; G109-P575 PolarHBondContact N-O 3.23Å; G109-K576 VanDerWaalsContact C-CA 3.4Å; G109-K576 VanDerWaalsContact CA-C 3.48Å; G109-K576 PolarHBondContact N-O 2.78Å; G109-N577 VanDerWaalsContact CA-CG 3.49Å; G109-N577 VanDerWaalsContact CA-N 3.31Å; G109-N577 WeakPolarHBondContact CA-OD1 3.31Å; G109-N577 PolarHBondContact N-OD1 2.97Å |
| 110 | A | 90.2 | Very high | 90.1 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -85.5 | -31.3 | -153.3 | 0 | 0 | 0 | 0 | 0 | 121 | R108 W131 N132 P575 | R108-A110 PolarHBondContact O-N 2.75Å; A110-W131 VanDerWaalsContact C-CD1 3.48Å; A110-W131 VanDerWaalsContact CB-CD1 3.44Å; A110-W131 VanDerWaalsContact CB-NE1 3.26Å; A110-N132 PolarHBondContact O-N 2.79Å; A110-P575 WeakPolarHBondContact CA-O 3.39Å; A110-P575 WeakPolarHBondContact CB-O 3.3Å; A110-P575 PolarHBondContact N-O 3.04Å |
| 111 | L | 94.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 176 | 173.6 | 172.1 | 114.5 | 0 | 0 | 0 | 108.8 | L96 F102 L105 F129 T130 W131 K576 | L96-L111 HydrophobicContact CD2-CD1 3.83Å; L96-L111 HydrophobicContact CD2-CD2 3.91Å; F102-L111 HydrophobicContact CD2-CD2 3.91Å; F102-L111 HydrophobicContact CE2-CD2 3.88Å; L105-L111 HydrophobicContact CB-CB 4.28Å; L105-L111 HydrophobicContact CB-CD2 3.31Å; L105-L111 HydrophobicContact CB-CG 4.3Å; L105-L111 HydrophobicContact CD1-CD1 4.19Å; L105-L111 HydrophobicContact CD1-CD2 3.92Å; L105-L111 HydrophobicContact CG-CD2 4.15Å; L111-F129 HydrophobicContact CD1-CD2 3.43Å; L111-F129 VanDerWaalsContact CD1-CD2 3.43Å; L111-F129 HydrophobicContact CD1-CE2 3.89Å; L111-F129 HydrophobicContact CD1-CG 4.29Å; L111-F129 HydrophobicContact CD2-CD2 4.43Å; L111-F129 HydrophobicContact CG-CD2 4.24Å; L111-T130 CarbonylContact C-O 3.57Å; L111-T130 WeakPolarHBondContact CA-O 3.43Å; L111-T130 WeakPolarHBondContact CB-O 3.45Å; L111-T130 WeakPolarHBondContact CD1-O 3.39Å; L111-T130 WeakPolarHBondContact CG-O 3.49Å; L111-W131 HydrophobicContact CB-CB 3.84Å; L111-W131 HydrophobicContact CB-CG 4.3Å; L111-W131 HydrophobicContact CD1-CB 3.58Å; L111-W131 HydrophobicContact CG-CB 4.29Å; L111-K576 VanDerWaalsContact CA-CG 3.49Å; L111-K576 HydrophobicContact CB-CB 4.03Å; L111-K576 HydrophobicContact CB-CD 4.37Å; L111-K576 HydrophobicContact CB-CG 3.26Å; L111-K576 HydrophobicContact CD2-CD 3.7Å; L111-K576 HydrophobicContact CD2-CG 3.39Å; L111-K576 HydrophobicContact CG-CD 4.19Å; L111-K576 HydrophobicContact CG-CG 3.57Å; L111-K576 VanDerWaalsContact O-CA 3.27Å; L111-K576 WeakPolarHBondContact O-CA 3.48Å; L111-K576 WeakPolarHBondContact O-CB 3.41Å; L111-K576 WeakPolarHBondContact O-CG 3.36Å |
| 112 | N | 92.7 | Very high | 88.7 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 133.9 | 176.9 | -169.1 | -9 | 0 | 0 | 0 | 111.4 | K114 F129 T130 | N112-K114 PolarHBondContact ND2-NZ 3.15Å; N112-F129 CarbonylContact O-C 3.54Å; N112-F129 WeakPolarHBondContact O-CA 3.2Å; N112-F129 WeakPolarHBondContact O-CB 3.36Å; N112-T130 PolarHBondContact N-O 3.21Å; N112-T130 PolarHBondContact O-N 3.06Å |
| 113 | Y | 94.8 | Very high | 88.4 | Confident | 85 Ų | 85 | 51.7 Ų | 51.7 | 33% | 0.333 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.2 | 177 | -169.7 | -153.2 | 0 | 0 | 0 | 110.1 | F102 G115 F116 I127 K576 | F102-Y113 HydrophobicContact CZ-CD2 4.37Å; Y113-G115 VanDerWaalsContact CE2-CA 3.49Å; Y113-G115 VanDerWaalsContact CE2-O 3.23Å; Y113-G115 WeakPolarHBondContact CE2-O 3.28Å; Y113-F116 PolarHBondContact OH-N 2.85Å; Y113-I127 HydrophobicContact CD2-CD1 4.46Å; Y113-I127 HydrophobicContact CE2-CB 3.96Å; Y113-I127 HydrophobicContact CE2-CD1 4.3Å; Y113-I127 HydrophobicContact CE2-CG2 3.87Å; Y113-K576 VanDerWaalsContact CB-NZ 3.3Å; Y113-K576 VanDerWaalsContact N-CE 3.32Å |
| 114 | K | 92.2 | Very high | 88.4 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 2.3 | 175.2 | -59.3 | -59.5 | -177.7 | -171.2 | 0 | 113.8 | N112 E128 | N112-K114 PolarHBondContact ND2-NZ 3.15Å; K114-E128 HydrophobicContact CB-CB 3.9Å; K114-E128 HydrophobicContact CB-CG 3.71Å; K114-E128 HydrophobicContact CG-CG 4.05Å; K114-E128 PolarHBondContact N-O 3.29Å |
| 115 | G | 88.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 25% | 0.247 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.7 | 174.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y113 E128 | Y113-G115 VanDerWaalsContact CE2-CA 3.49Å; Y113-G115 VanDerWaalsContact CE2-O 3.23Å; Y113-G115 WeakPolarHBondContact CE2-O 3.28Å; G115-E128 PolarHBondContact O-N 3.45Å |
| 116 | F | 89.1 | Confident | 88.3 | Confident | 118 Ų | 118 | 51.9 Ų | 51.9 | 52% | 0.518 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 146.2 | 174.8 | 63 | -102.3 | 0 | 0 | 0 | 111.7 | Y113 E119 I127 | Y113-F116 PolarHBondContact OH-N 2.85Å; F116-E119 HydrophobicContact CB-CB 4.11Å; F116-E119 HydrophobicContact CD1-CB 4.07Å; F116-E119 HydrophobicContact CD2-CB 3.85Å; F116-E119 HydrophobicContact CE1-CB 4.46Å; F116-E119 HydrophobicContact CE2-CB 4.27Å; F116-E119 HydrophobicContact CG-CB 3.75Å; F116-I127 HydrophobicContact CB-CG2 4.04Å |
| 117 | L | 86.2 | Confident | 88.4 | Confident | 90 Ų | 90 | 51.8 Ų | 51.8 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -40.2 | 165.9 | -62.1 | 170.6 | 0 | 0 | 0 | 110.6 | T126 P137 I138 | L117-T126 PolarHBondContact N-O 2.83Å; L117-P137 WeakPolarHBondContact CD1-O 3.12Å; L117-I138 HydrophobicContact CD1-CB 4.24Å; L117-I138 HydrophobicContact CD1-CG1 3.81Å; L117-I138 HydrophobicContact CD1-CG2 4.13Å |
| 118 | V | 85.5 | Confident | 88.6 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 108.7 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | T126 A198 | V118-T126 PolarHBondContact N-O 3.17Å; V118-T126 PolarHBondContact O-N 2.63Å; V118-A198 HydrophobicContact CB-CB 3.94Å; V118-A198 HydrophobicContact CG1-CB 3.5Å |
| 119 | E | 81.8 | Confident | 88.9 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 158.5 | 171.2 | -159.7 | -128.5 | 88.8 | 0 | 0 | 110.8 | F116 Q121 A125 | F116-E119 HydrophobicContact CB-CB 4.11Å; F116-E119 HydrophobicContact CD1-CB 4.07Å; F116-E119 HydrophobicContact CD2-CB 3.85Å; F116-E119 HydrophobicContact CE1-CB 4.46Å; F116-E119 HydrophobicContact CE2-CB 4.27Å; F116-E119 HydrophobicContact CG-CB 3.75Å; E119-Q121 VanDerWaalsContact OE1-CA 3.23Å; E119-Q121 WeakPolarHBondContact OE1-CA 3.35Å; E119-Q121 PolarHBondContact OE1-N 3.29Å; E119-A125 HydrophobicContact CG-CB 4.22Å |
| 120 | R | 78.6 | Confident | 89.3 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | trans | -147.6 | 56.4 | -172.3 | -67.9 | -66.4 | 174.3 | -109.1 | 10.9 | 109.9 | S123 V124 C174 A198 G199 | R120-S123 VanDerWaalsContact O-CB 3.32Å; R120-S123 WeakPolarHBondContact O-CB 3.48Å; R120-V124 HydrophobicContact CB-CG1 3.67Å; R120-V124 WeakPolarHBondContact CB-O 3.3Å; R120-V124 HydrophobicContact CG-CG1 3.94Å; R120-V124 PolarHBondContact N-O 3.37Å; R120-C174 HydrophobicContact CB-CB 3.96Å; R120-C174 PolarHBondContact O-SG 2.95Å; R120-A198 HydrophobicContact CG-CB 3.69Å; R120-G199 PolarHBondContact NE-O 2.96Å; R120-G199 PolarHBondContact NH2-O 3.16Å | ||
| 121 | Q | 76.4 | Confident | 89.4 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | 58.4 | -169.1 | -167.7 | -46.8 | 175.5 | -46.9 | 0 | 0 | 109.1 | E119 S123 | E119-Q121 VanDerWaalsContact OE1-CA 3.23Å; E119-Q121 WeakPolarHBondContact OE1-CA 3.35Å; E119-Q121 PolarHBondContact OE1-N 3.29Å; Q121-S123 PolarHBondContact O-N 3.48Å |
| 122 | D | 81.7 | Confident | 89.2 | Confident | 104 Ų | 104 | 52.8 Ų | 52.8 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -69.9 | 27.1 | 174.1 | 42.9 | -71.8 | 0 | 0 | 0 | 114.2 | L143 K172 | D122-L143 VanDerWaalsContact O-CB 3.27Å; D122-L143 WeakPolarHBondContact O-CB 3.44Å; D122-L143 VanDerWaalsContact O-O 3.09Å; D122-K172 WeakPolarHBondContact O-CD 3.36Å; D122-K172 WeakPolarHBondContact O-CE 3.4Å; D122-K172 PolarHBondContact O-NZ 2.84Å; D122-K172 IonicContact OD2-NZ 3.68Å; D122-K172 PolarHBondContact OD2-NZ 3.45Å |
| 123 | S | 87.7 | Confident | 89.1 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -87.8 | -59.7 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 113.6 | R120 Q121 L143 Y171 | R120-S123 VanDerWaalsContact O-CB 3.32Å; R120-S123 WeakPolarHBondContact O-CB 3.48Å; Q121-S123 PolarHBondContact O-N 3.48Å; S123-L143 PolarHBondContact O-N 3.34Å; S123-Y171 WeakPolarHBondContact CB-O 3.42Å; S123-Y171 WeakPolarHBondContact O-CD1 3.37Å; S123-Y171 PolarHBondContact OG-O 2.89Å |
| 124 | V | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 130.1 | -169.3 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | R120 M141 L142 V176 P196 A198 | R120-V124 HydrophobicContact CB-CG1 3.67Å; R120-V124 WeakPolarHBondContact CB-O 3.3Å; R120-V124 HydrophobicContact CG-CG1 3.94Å; R120-V124 PolarHBondContact N-O 3.37Å; V124-M141 WeakPolarHBondContact CA-O 3.41Å; V124-M141 WeakPolarHBondContact CG2-O 3.32Å; V124-L142 HydrophobicContact CB-CD2 4.48Å; V124-V176 HydrophobicContact CB-CG2 4.03Å; V124-V176 HydrophobicContact CG1-CG2 3.96Å; V124-V176 HydrophobicContact CG2-CG1 4.26Å; V124-V176 HydrophobicContact CG2-CG2 4.48Å; V124-P196 HydrophobicContact CG2-CB 4.27Å; V124-A198 HydrophobicContact CG1-CB 4.17Å; V124-A198 HydrophobicContact CG2-CB 4.43Å |
| 125 | A | 91.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E119 I127 G140 M141 L143 | E119-A125 HydrophobicContact CG-CB 4.22Å; A125-I127 HydrophobicContact CB-CG2 3.73Å; A125-G140 CarbonylContact O-C 3.46Å; A125-G140 VanDerWaalsContact O-CA 3.28Å; A125-G140 WeakPolarHBondContact O-CA 3.38Å; A125-M141 PolarHBondContact N-O 3.47Å; A125-M141 VanDerWaalsContact N-O 3.12Å; A125-M141 PolarHBondContact O-N 2.84Å; A125-L143 HydrophobicContact CB-CD1 3.94Å; A125-L143 HydrophobicContact CB-CD2 4.43Å; A125-L143 HydrophobicContact CB-CG 4.32Å |
| 126 | T | 92.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.9 | 167.1 | -48.6 | 0 | 0 | 0 | 0 | 106.4 | L117 V118 I138 G139 A198 | L117-T126 PolarHBondContact N-O 2.83Å; V118-T126 PolarHBondContact N-O 3.17Å; V118-T126 PolarHBondContact O-N 2.63Å; T126-I138 HydrophobicContact CG2-CG2 3.67Å; T126-G139 WeakPolarHBondContact CA-O 3.46Å; T126-A198 PolarHBondContact OG1-N 2.86Å |
| 127 | I | 93.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 164.9 | -161.2 | 60.7 | 158.8 | 0 | 0 | 0 | 113.2 | F102 Y113 F116 A125 F129 G139 M141 | F102-I127 HydrophobicContact CD2-CD1 4.17Å; F102-I127 HydrophobicContact CE1-CD1 3.94Å; F102-I127 HydrophobicContact CE2-CD1 3.34Å; F102-I127 HydrophobicContact CZ-CD1 3.16Å; Y113-I127 HydrophobicContact CD2-CD1 4.46Å; Y113-I127 HydrophobicContact CE2-CB 3.96Å; Y113-I127 HydrophobicContact CE2-CD1 4.3Å; Y113-I127 HydrophobicContact CE2-CG2 3.87Å; F116-I127 HydrophobicContact CB-CG2 4.04Å; A125-I127 HydrophobicContact CB-CG2 3.73Å; I127-F129 HydrophobicContact CD1-CD1 3.5Å; I127-F129 VanDerWaalsContact CD1-CD1 3.5Å; I127-F129 HydrophobicContact CD1-CE1 3.8Å; I127-F129 HydrophobicContact CG1-CD1 3.81Å; I127-F129 HydrophobicContact CG1-CE1 3.92Å; I127-G139 VanDerWaalsContact CG1-O 3.22Å; I127-G139 WeakPolarHBondContact CG1-O 3.25Å; I127-G139 PolarHBondContact N-O 2.94Å; I127-G139 PolarHBondContact O-N 3.23Å; I127-M141 HydrophobicContact CD1-CE 3.3Å; I127-M141 HydrophobicContact CG1-CE 4.04Å |
| 128 | E | 95.2 | Very high | 89.6 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 145.8 | 168.2 | -179.1 | 171.3 | -173.8 | 0 | 0 | 111.6 | K114 G115 K136 | K114-E128 HydrophobicContact CB-CB 3.9Å; K114-E128 HydrophobicContact CB-CG 3.71Å; K114-E128 HydrophobicContact CG-CG 4.05Å; K114-E128 PolarHBondContact N-O 3.29Å; G115-E128 PolarHBondContact O-N 3.45Å; E128-K136 WeakPolarHBondContact CA-O 3.48Å; E128-K136 WeakPolarHBondContact CG-O 3.47Å |
| 129 | F | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 170.4 | 175.9 | 52.4 | -96.8 | 0 | 0 | 0 | 113.4 | V93 L96 F102 L111 N112 I127 K136 | V93-F129 HydrophobicContact CB-CE2 4.27Å; V93-F129 HydrophobicContact CG1-CE2 3.82Å; V93-F129 HydrophobicContact CG1-CZ 4.45Å; V93-F129 HydrophobicContact CG2-CD2 4.37Å; V93-F129 HydrophobicContact CG2-CE2 4.04Å; L96-F129 HydrophobicContact CB-CE2 4.18Å; L96-F129 HydrophobicContact CB-CZ 3.85Å; L96-F129 HydrophobicContact CD2-CD2 4.25Å; L96-F129 HydrophobicContact CD2-CE2 3.51Å; L96-F129 HydrophobicContact CD2-CZ 3.64Å; L96-F129 HydrophobicContact CG-CE2 4.37Å; L96-F129 HydrophobicContact CG-CZ 4.1Å; F102-F129 HydrophobicContact CD2-CD1 4.4Å; F102-F129 HydrophobicContact CD2-CE1 4.36Å; F102-F129 HydrophobicContact CE2-CB 4.18Å; F102-F129 AromaticContact CE2-CD1 3.57Å; F102-F129 HydrophobicContact CE2-CD1 3.57Å; F102-F129 AromaticContact CE2-CE1 3.94Å; F102-F129 HydrophobicContact CE2-CE1 3.94Å; F102-F129 AromaticContact CE2-CG 3.87Å; F102-F129 HydrophobicContact CE2-CG 3.87Å; F102-F129 HydrophobicContact CZ-CD1 4.37Å; L111-F129 HydrophobicContact CD1-CD2 3.43Å; L111-F129 VanDerWaalsContact CD1-CD2 3.43Å; L111-F129 HydrophobicContact CD1-CE2 3.89Å; L111-F129 HydrophobicContact CD1-CG 4.29Å; L111-F129 HydrophobicContact CD2-CD2 4.43Å; L111-F129 HydrophobicContact CG-CD2 4.24Å; N112-F129 CarbonylContact O-C 3.54Å; N112-F129 WeakPolarHBondContact O-CA 3.2Å; N112-F129 WeakPolarHBondContact O-CB 3.36Å; I127-F129 HydrophobicContact CD1-CD1 3.5Å; I127-F129 VanDerWaalsContact CD1-CD1 3.5Å; I127-F129 HydrophobicContact CD1-CE1 3.8Å; I127-F129 HydrophobicContact CG1-CD1 3.81Å; I127-F129 HydrophobicContact CG1-CE1 3.92Å; F129-K136 HydrophobicContact CD1-CB 4.49Å; F129-K136 HydrophobicContact CD2-CB 3.72Å; F129-K136 HydrophobicContact CE1-CB 4.26Å; F129-K136 HydrophobicContact CE1-CD 3.84Å; F129-K136 HydrophobicContact CE2-CB 3.43Å; F129-K136 VanDerWaalsContact CE2-CB 3.43Å; F129-K136 HydrophobicContact CE2-CD 3.7Å; F129-K136 HydrophobicContact CE2-CG 4.16Å; F129-K136 HydrophobicContact CG-CB 4.29Å; F129-K136 HydrophobicContact CZ-CB 3.76Å; F129-K136 HydrophobicContact CZ-CD 3.2Å; F129-K136 HydrophobicContact CZ-CG 4.06Å; F129-K136 PolarHBondContact N-O 3.42Å; F129-K136 VanDerWaalsContact N-O 3.13Å; F129-K136 WeakPolarHBondContact O-CA 3.47Å; F129-K136 PolarHBondContact O-N 3.35Å |
| 130 | T | 96.1 | Very high | 90.3 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 158.3 | 171.6 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | L111 N112 N134 | L111-T130 CarbonylContact C-O 3.57Å; L111-T130 WeakPolarHBondContact CA-O 3.43Å; L111-T130 WeakPolarHBondContact CB-O 3.45Å; L111-T130 WeakPolarHBondContact CD1-O 3.39Å; L111-T130 WeakPolarHBondContact CG-O 3.49Å; N112-T130 PolarHBondContact N-O 3.21Å; N112-T130 PolarHBondContact O-N 3.06Å; T130-N134 CarbonylContact C-O 3.58Å; T130-N134 VanDerWaalsContact C-O 3.3Å; T130-N134 WeakPolarHBondContact CA-O 3.48Å; T130-N134 WeakPolarHBondContact CB-O 3.33Å |
| 131 | W | 93.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131.9 | 166 | 174 | 44.5 | 0 | 0 | 0 | 113.2 | P6 M88 A110 L111 G133 N134 Q573 K574 | P6-W131 HydrophobicContact CB-CH2 4.23Å; P6-W131 HydrophobicContact CB-CZ3 3.86Å; P6-W131 HydrophobicContact CG-CH2 3.58Å; P6-W131 HydrophobicContact CG-CZ3 3.75Å; M88-W131 HydrophobicContact CB-CE3 4.43Å; M88-W131 HydrophobicContact CB-CZ3 4.33Å; M88-W131 HydrophobicContact CE-CE3 4.43Å; M88-W131 HydrophobicContact CE-CH2 3.3Å; M88-W131 HydrophobicContact CE-CZ2 4.34Å; M88-W131 HydrophobicContact CE-CZ3 3.4Å; M88-W131 HydrophobicContact CG-CE3 4.38Å; M88-W131 HydrophobicContact CG-CZ3 3.86Å; M88-W131 HydrophobicContact SD-CE3 3.66Å; M88-W131 HydrophobicContact SD-CH2 3.63Å; M88-W131 HydrophobicContact SD-CZ3 3.17Å; M88-W131 WeakPolarHBondContact SD-CZ3 3.15Å; A110-W131 VanDerWaalsContact C-CD1 3.48Å; A110-W131 VanDerWaalsContact CB-CD1 3.44Å; A110-W131 VanDerWaalsContact CB-NE1 3.26Å; L111-W131 HydrophobicContact CB-CB 3.84Å; L111-W131 HydrophobicContact CB-CG 4.3Å; L111-W131 HydrophobicContact CD1-CB 3.58Å; L111-W131 HydrophobicContact CG-CB 4.29Å; W131-G133 PolarHBondContact O-N 3.27Å; W131-G133 VanDerWaalsContact O-N 3.11Å; W131-N134 PolarHBondContact N-O 3.33Å; W131-N134 WeakPolarHBondContact O-CA 3.37Å; W131-N134 WeakPolarHBondContact O-CB 3.26Å; W131-N134 PolarHBondContact O-N 2.92Å; W131-N134 PolarHBondContact O-ND2 2.78Å; W131-Q573 HydrophobicContact CB-CG 4.45Å; W131-Q573 HydrophobicContact CE3-CB 3.96Å; W131-Q573 HydrophobicContact CE3-CG 3.67Å; W131-Q573 HydrophobicContact CZ3-CG 4.5Å; W131-K574 VanDerWaalsContact CD1-C 3.46Å; W131-K574 HydrophobicContact CD2-CB 3.81Å; W131-K574 HydrophobicContact CE3-CB 3.91Å; W131-K574 HydrophobicContact CH2-CB 3.71Å; W131-K574 HydrophobicContact CH2-CD 4.1Å; W131-K574 HydrophobicContact CH2-CG 4.31Å; W131-K574 HydrophobicContact CZ2-CB 3.58Å; W131-K574 HydrophobicContact CZ2-CD 3.52Å; W131-K574 HydrophobicContact CZ2-CG 4.07Å; W131-K574 HydrophobicContact CZ3-CB 3.82Å; W131-K574 PolarHBondContact NE1-O 3.25Å |
| 132 | N | 90.6 | Very high | 91.9 | Very high | 91 Ų | 91 | 31 Ų | 31 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 37.7 | 178.8 | -96.6 | 32.6 | 0 | 0 | 0 | 108.8 | A110 N134 | A110-N132 PolarHBondContact O-N 2.79Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 PolarHBondContact O-N 2.66Å; N132-N134 PolarHBondContact O-ND2 2.85Å |
| 133 | G | 89 | Confident | 92.4 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 71% | 0.711 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -28.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | W131 G135 | W131-G133 PolarHBondContact O-N 3.27Å; W131-G133 VanDerWaalsContact O-N 3.11Å; G133-G135 PolarHBondContact O-N 3.49Å |
| 134 | N | 93.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 10% | 0.102 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 126.8 | -174.3 | -58.3 | -98 | 0 | 0 | 0 | 113.2 | M88 G91 K92 T130 W131 N132 | M88-N134 PolarHBondContact SD-ND2 2.87Å; M88-N134 VanDerWaalsContact SD-ND2 3.36Å; G91-N134 VanDerWaalsContact C-OD1 3.23Å; G91-N134 WeakPolarHBondContact CA-OD1 3.4Å; G91-N134 PolarHBondContact N-OD1 3.25Å; G91-N134 CarbonylContact O-C 3.52Å; G91-N134 WeakPolarHBondContact O-CA 3.48Å; K92-N134 PolarHBondContact N-OD1 3.49Å; T130-N134 CarbonylContact C-O 3.58Å; T130-N134 VanDerWaalsContact C-O 3.3Å; T130-N134 WeakPolarHBondContact CA-O 3.48Å; T130-N134 WeakPolarHBondContact CB-O 3.33Å; W131-N134 PolarHBondContact N-O 3.33Å; W131-N134 WeakPolarHBondContact O-CA 3.37Å; W131-N134 WeakPolarHBondContact O-CB 3.26Å; W131-N134 PolarHBondContact O-N 2.92Å; W131-N134 PolarHBondContact O-ND2 2.78Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 PolarHBondContact O-N 2.66Å; N132-N134 PolarHBondContact O-ND2 2.85Å |
| 135 | G | 93.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 144.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G91 K92 V93 G133 | G91-G135 PolarHBondContact O-N 3.23Å; K92-G135 WeakPolarHBondContact CA-O 3.49Å; V93-G135 PolarHBondContact N-O 2.82Å; V93-G135 VanDerWaalsContact N-O 3.12Å; G133-G135 PolarHBondContact O-N 3.49Å |
| 136 | K | 94.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 31 Ų | 31 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 101.8 | 162.2 | -153.9 | -175.5 | -169 | 70.8 | 0 | 110 | V93 L94 G95 E128 F129 I138 | V93-K136 HydrophobicContact CB-CB 3.65Å; V93-K136 HydrophobicContact CB-CD 4.16Å; V93-K136 HydrophobicContact CB-CG 3.9Å; V93-K136 HydrophobicContact CG1-CB 4.3Å; V93-K136 HydrophobicContact CG1-CD 4.08Å; V93-K136 HydrophobicContact CG1-CG 4.38Å; V93-K136 HydrophobicContact CG2-CB 3.57Å; V93-K136 HydrophobicContact CG2-CG 4.38Å; V93-K136 PolarHBondContact O-NZ 2.85Å; L94-K136 PolarHBondContact O-NZ 3.34Å; G95-K136 VanDerWaalsContact N-NZ 3.1Å; G95-K136 VanDerWaalsContact O-CD 3.28Å; G95-K136 WeakPolarHBondContact O-CD 3.01Å; G95-K136 WeakPolarHBondContact O-CE 2.78Å; G95-K136 PolarHBondContact O-NZ 2.04Å; E128-K136 WeakPolarHBondContact CA-O 3.48Å; E128-K136 WeakPolarHBondContact CG-O 3.47Å; F129-K136 HydrophobicContact CD1-CB 4.49Å; F129-K136 HydrophobicContact CD2-CB 3.72Å; F129-K136 HydrophobicContact CE1-CB 4.26Å; F129-K136 HydrophobicContact CE1-CD 3.84Å; F129-K136 HydrophobicContact CE2-CB 3.43Å; F129-K136 VanDerWaalsContact CE2-CB 3.43Å; F129-K136 HydrophobicContact CE2-CD 3.7Å; F129-K136 HydrophobicContact CE2-CG 4.16Å; F129-K136 HydrophobicContact CG-CB 4.29Å; F129-K136 HydrophobicContact CZ-CB 3.76Å; F129-K136 HydrophobicContact CZ-CD 3.2Å; F129-K136 HydrophobicContact CZ-CG 4.06Å; F129-K136 PolarHBondContact N-O 3.42Å; F129-K136 VanDerWaalsContact N-O 3.13Å; F129-K136 WeakPolarHBondContact O-CA 3.47Å; F129-K136 PolarHBondContact O-N 3.35Å; K136-I138 VanDerWaalsContact C-N 3.27Å; K136-I138 WeakPolarHBondContact CD-O 3.21Å; K136-I138 WeakPolarHBondContact CE-O 3.44Å; K136-I138 PolarHBondContact O-N 3.44Å |
| 137 | P | 90.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 31.3 Ų | 31.3 | 55% | 0.552 | 20% | 0.203 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | -28.7 | 177.6 | 26.2 | -34.1 | 0 | 0 | 0 | 112.6 | L117 | L117-P137 WeakPolarHBondContact CD1-O 3.12Å |
| 138 | I | 90.7 | Very high | 92.9 | Very high | 104 Ų | 104 | 33 Ų | 33 | 53% | 0.533 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 114 | -178.7 | -47.6 | -179.5 | 0 | 0 | 0 | 110.6 | L117 T126 K136 | L117-I138 HydrophobicContact CD1-CB 4.24Å; L117-I138 HydrophobicContact CD1-CG1 3.81Å; L117-I138 HydrophobicContact CD1-CG2 4.13Å; T126-I138 HydrophobicContact CG2-CG2 3.67Å; K136-I138 VanDerWaalsContact C-N 3.27Å; K136-I138 WeakPolarHBondContact CD-O 3.21Å; K136-I138 WeakPolarHBondContact CE-O 3.44Å; K136-I138 PolarHBondContact O-N 3.44Å |
| 139 | G | 89.3 | Confident | 92.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T126 I127 | T126-G139 WeakPolarHBondContact CA-O 3.46Å; I127-G139 VanDerWaalsContact CG1-O 3.22Å; I127-G139 WeakPolarHBondContact CG1-O 3.25Å; I127-G139 PolarHBondContact N-O 2.94Å; I127-G139 PolarHBondContact O-N 3.23Å |
| 140 | G | 92.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 146.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | H97 A125 P196 | H97-G140 WeakPolarHBondContact CA-O 3.05Å; H97-G140 WeakPolarHBondContact CB-O 3.47Å; H97-G140 PolarHBondContact ND1-O 3.38Å; A125-G140 CarbonylContact O-C 3.46Å; A125-G140 VanDerWaalsContact O-CA 3.28Å; A125-G140 WeakPolarHBondContact O-CA 3.38Å; G140-P196 VanDerWaalsContact CA-O 3.31Å; G140-P196 WeakPolarHBondContact CA-O 3.41Å |
| 141 | M | 94 | Very high | 92.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.7 | 173.3 | 70.6 | -175 | 66.8 | 0 | 0 | 112.6 | H97 W99 F102 V124 A125 I127 L143 P196 | H97-M141 WeakPolarHBondContact O-CA 3.26Å; H97-M141 VanDerWaalsContact O-CB 3.27Å; H97-M141 WeakPolarHBondContact O-CB 3.26Å; W99-M141 HydrophobicContact CB-CB 4.28Å; W99-M141 HydrophobicContact CB-CG 4.11Å; W99-M141 HydrophobicContact CB-SD 3.55Å; W99-M141 VanDerWaalsContact CB-SD 3.55Å; F102-M141 HydrophobicContact CB-CE 3.73Å; F102-M141 HydrophobicContact CB-SD 4.16Å; F102-M141 HydrophobicContact CD1-CE 3.59Å; F102-M141 HydrophobicContact CD1-SD 3.92Å; F102-M141 HydrophobicContact CD2-CE 3.49Å; F102-M141 VanDerWaalsContact CD2-CE 3.49Å; F102-M141 HydrophobicContact CE1-CE 3.92Å; F102-M141 HydrophobicContact CE1-SD 4.42Å; F102-M141 HydrophobicContact CE2-CE 3.87Å; F102-M141 HydrophobicContact CG-CE 3.33Å; F102-M141 HydrophobicContact CG-SD 4.06Å; F102-M141 HydrophobicContact CZ-CE 4.03Å; V124-M141 WeakPolarHBondContact CA-O 3.41Å; V124-M141 WeakPolarHBondContact CG2-O 3.32Å; A125-M141 PolarHBondContact N-O 3.47Å; A125-M141 VanDerWaalsContact N-O 3.12Å; A125-M141 PolarHBondContact O-N 2.84Å; I127-M141 HydrophobicContact CD1-CE 3.3Å; I127-M141 HydrophobicContact CG1-CE 4.04Å; M141-L143 HydrophobicContact CG-CD2 3.87Å; M141-L143 HydrophobicContact SD-CD2 3.86Å; M141-P196 VanDerWaalsContact C-CG 3.45Å; M141-P196 VanDerWaalsContact CA-CG 3.44Å |
| 142 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.7 | 166 | -77.6 | -178.9 | 0 | 0 | 0 | 109.4 | W99 V124 S145 F149 E150 Y171 V176 F178 P196 | W99-L142 WeakPolarHBondContact CB-O 3.37Å; V124-L142 HydrophobicContact CB-CD2 4.48Å; L142-S145 VanDerWaalsContact CB-OG 3.26Å; L142-S145 WeakPolarHBondContact CB-OG 3.06Å; L142-S145 PolarHBondContact O-OG 3.23Å; L142-F149 HydrophobicContact CD1-CD1 4.11Å; L142-F149 HydrophobicContact CD1-CE1 3.76Å; L142-E150 HydrophobicContact CD1-CG 4.17Å; L142-Y171 HydrophobicContact CD2-CD1 3.68Å; L142-Y171 HydrophobicContact CD2-CE1 4.3Å; L142-Y171 HydrophobicContact CD2-CG 4.04Å; L142-V176 HydrophobicContact CD2-CB 4.32Å; L142-V176 HydrophobicContact CD2-CG1 3.73Å; L142-V176 HydrophobicContact CD2-CG2 3.76Å; L142-F178 HydrophobicContact CD1-CE2 3.86Å; L142-F178 HydrophobicContact CD1-CZ 3.97Å; L142-F178 HydrophobicContact CG-CE2 4.07Å; L142-F178 HydrophobicContact CG-CZ 4.37Å; L142-P196 HydrophobicContact CD2-CB 4.48Å; L142-P196 HydrophobicContact CG-CB 4.29Å; L142-P196 HydrophobicContact CG-CG 4.19Å |
| 143 | L | 92 | Very high | 93.1 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 20% | 0.199 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -94.8 | 133.5 | -177.5 | -63.4 | 177.2 | 0 | 0 | 0 | 111.4 | D122 S123 A125 M141 S145 Y171 | D122-L143 VanDerWaalsContact O-CB 3.27Å; D122-L143 WeakPolarHBondContact O-CB 3.44Å; D122-L143 VanDerWaalsContact O-O 3.09Å; S123-L143 PolarHBondContact O-N 3.34Å; A125-L143 HydrophobicContact CB-CD1 3.94Å; A125-L143 HydrophobicContact CB-CD2 4.43Å; A125-L143 HydrophobicContact CB-CG 4.32Å; M141-L143 HydrophobicContact CG-CD2 3.87Å; M141-L143 HydrophobicContact SD-CD2 3.86Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 2.85Å; L143-Y171 VanDerWaalsContact O-CE1 3.31Å; L143-Y171 WeakPolarHBondContact O-CE1 3.47Å; L143-Y171 PolarHBondContact O-OH 2.85Å |
| 144 | G | 89.9 | Confident | 93.3 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 34% | 0.34 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 77.6 | -2.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | W99 | W99-G144 VanDerWaalsContact CE2-N 3.3Š|
| 145 | S | 93.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | trans | -72.3 | 166.4 | -177.8 | 54.1 | 0 | 0 | 0 | 0 | 114.2 | W99 I100 L142 L143 E150 Y171 | W99-S145 PolarHBondContact NE1-O 2.92Å; W99-S145 PolarHBondContact NE1-OG 2.87Å; I100-S145 WeakPolarHBondContact CD1-O 3.47Å; L142-S145 VanDerWaalsContact CB-OG 3.26Å; L142-S145 WeakPolarHBondContact CB-OG 3.06Å; L142-S145 PolarHBondContact O-OG 3.23Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 2.85Å; S145-E150 PolarHBondContact OG-OE1 2.96Å; S145-Y171 VanDerWaalsContact CA-OH 3.31Å; S145-Y171 WeakPolarHBondContact CA-OH 3.37Å; S145-Y171 PolarHBondContact N-OH 2.8Å | ||
| 146 | S | 94.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 25% | 0.245 | 14% | 0.144 | C | C | . | . | trans | -107.3 | 158.5 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | E148 F149 E150 | S146-E148 VanDerWaalsContact C-N 3.34Å; S146-E148 WeakPolarHBondContact CB-OE1 3.33Å; S146-E148 PolarHBondContact O-N 3.24Å; S146-E148 PolarHBondContact OG-OE1 2.99Å; S146-F149 PolarHBondContact O-N 2.73Å; S146-F149 VanDerWaalsContact O-N 3.11Å; S146-F149 PolarHBondContact OG-N 2.7Å; S146-E150 PolarHBondContact O-N 2.93Å | ||
| 147 | P | 93.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 24 Ų | 24 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | -176.8 | -20.5 | 31.8 | 0 | 0 | 0 | 112.5 | F25 I100 F149 E150 M151 | F25-P147 HydrophobicContact CE2-CB 4.27Å; F25-P147 HydrophobicContact CZ-CB 4.25Å; I100-P147 VanDerWaalsContact CD1-CD 3.46Å; I100-P147 HydrophobicContact CD1-CG 3.68Å; P147-F149 VanDerWaalsContact C-N 3.33Å; P147-F149 PolarHBondContact O-N 3.38Å; P147-E150 PolarHBondContact O-N 2.84Å; P147-M151 WeakPolarHBondContact O-CB 3.31Å; P147-M151 VanDerWaalsContact O-CG 3.27Å; P147-M151 WeakPolarHBondContact O-CG 3.46Å; P147-M151 PolarHBondContact O-N 2.98Å |
| 148 | E | 95.3 | Very high | 93 | Very high | 39 Ų | 39 | 20.1 Ų | 20.1 | 18% | 0.182 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 176.7 | 61.7 | -77.9 | 172.6 | 0 | 0 | 112.9 | V29 T32 V34 M35 S146 A152 | V29-E148 HydrophobicContact CG1-CB 4.08Å; T32-E148 HydrophobicContact CG2-CG 3.99Å; V34-E148 HydrophobicContact CB-CB 4.34Å; V34-E148 HydrophobicContact CB-CG 3.88Å; V34-E148 HydrophobicContact CG1-CB 4.32Å; V34-E148 HydrophobicContact CG1-CG 4.17Å; V34-E148 WeakPolarHBondContact CG1-O 3.34Å; V34-E148 HydrophobicContact CG2-CG 4.08Å; M35-E148 HydrophobicContact CG-CB 4.02Å; M35-E148 HydrophobicContact SD-CB 4.28Å; S146-E148 VanDerWaalsContact C-N 3.34Å; S146-E148 WeakPolarHBondContact CB-OE1 3.33Å; S146-E148 PolarHBondContact O-N 3.24Å; S146-E148 PolarHBondContact OG-OE1 2.99Å; E148-A152 WeakPolarHBondContact O-CB 3.18Å; E148-A152 PolarHBondContact O-N 3.4Å |
| 149 | F | 95 | Very high | 92.9 | Very high | 64 Ų | 64 | 18 Ų | 18 | 28% | 0.281 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -69.1 | -46.9 | 174 | -179 | -94.9 | 0 | 0 | 0 | 111.5 | V34 L142 S146 P147 A152 A153 F169 Y171 | V34-F149 HydrophobicContact CG1-CB 4.45Å; L142-F149 HydrophobicContact CD1-CD1 4.11Å; L142-F149 HydrophobicContact CD1-CE1 3.76Å; S146-F149 PolarHBondContact O-N 2.73Å; S146-F149 VanDerWaalsContact O-N 3.11Å; S146-F149 PolarHBondContact OG-N 2.7Å; P147-F149 VanDerWaalsContact C-N 3.33Å; P147-F149 PolarHBondContact O-N 3.38Å; F149-A152 PolarHBondContact O-N 3.44Å; F149-A153 VanDerWaalsContact O-CB 3.31Å; F149-A153 WeakPolarHBondContact O-CB 3.47Å; F149-A153 PolarHBondContact O-N 3.44Å; F149-F169 HydrophobicContact CZ-CE2 4.38Å; F149-Y171 HydrophobicContact CD1-CE2 4.25Å; F149-Y171 AromaticContact CE1-CD2 3.6Å; F149-Y171 HydrophobicContact CE1-CD2 3.6Å; F149-Y171 AromaticContact CE1-CE2 3.75Å; F149-Y171 HydrophobicContact CE1-CE2 3.75Å; F149-Y171 HydrophobicContact CE1-CG 4.44Å; F149-Y171 AromaticContact CZ-CD2 3.66Å; F149-Y171 HydrophobicContact CZ-CD2 3.66Å; F149-Y171 HydrophobicContact CZ-CE2 4.04Å |
| 150 | E | 94.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 2% | 0.023 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.2 | -75.4 | 179.2 | -126.4 | 0 | 0 | 112 | F84 N98 L142 S145 S146 P147 A154 | F84-E150 HydrophobicContact CE1-CB 3.9Å; F84-E150 HydrophobicContact CZ-CB 3.75Å; N98-E150 WeakPolarHBondContact CA-OE2 3.46Å; N98-E150 WeakPolarHBondContact CB-OE2 3.21Å; N98-E150 PolarHBondContact ND2-OE1 3.37Å; N98-E150 PolarHBondContact ND2-OE2 2.81Å; L142-E150 HydrophobicContact CD1-CG 4.17Å; S145-E150 PolarHBondContact OG-OE1 2.96Å; S146-E150 PolarHBondContact O-N 2.93Å; P147-E150 PolarHBondContact O-N 2.84Å; E150-A154 WeakPolarHBondContact O-CB 3.18Å; E150-A154 PolarHBondContact O-N 3.46Å |
| 151 | M | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 173.9 | -76 | -177.8 | 75.4 | 0 | 0 | 111.4 | F25 V29 W64 F80 F84 P147 T155 | F25-M151 HydrophobicContact CE1-CE 4.26Å; F25-M151 HydrophobicContact CE1-SD 3.56Å; F25-M151 VanDerWaalsContact CE1-SD 3.56Å; F25-M151 HydrophobicContact CZ-SD 3.65Å; V29-M151 HydrophobicContact CG1-SD 4.4Å; W64-M151 HydrophobicContact CB-CE 4.36Å; W64-M151 HydrophobicContact CD2-CE 4.06Å; W64-M151 HydrophobicContact CG-CE 3.74Å; W64-M151 HydrophobicContact CZ2-CB 4.4Å; W64-M151 HydrophobicContact CZ2-CG 4.43Å; F80-M151 HydrophobicContact CE2-SD 4.29Å; F84-M151 HydrophobicContact CE1-CG 4.46Å; F84-M151 HydrophobicContact CE2-CG 3.57Å; F84-M151 HydrophobicContact CZ-CB 4.45Å; F84-M151 HydrophobicContact CZ-CG 3.52Å; P147-M151 WeakPolarHBondContact O-CB 3.31Å; P147-M151 VanDerWaalsContact O-CG 3.27Å; P147-M151 WeakPolarHBondContact O-CG 3.46Å; P147-M151 PolarHBondContact O-N 2.98Å; M151-T155 WeakPolarHBondContact O-CB 3.41Å; M151-T155 PolarHBondContact O-N 3.13Å; M151-T155 PolarHBondContact O-OG1 2.95Å |
| 152 | A | 96 | Very high | 90.9 | Very high | 8 Ų | 8 | 29 Ų | 29 | 7% | 0.066 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -48.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V34 L38 E148 F149 T155 I156 | V34-A152 HydrophobicContact CG1-CB 3.88Å; L38-A152 HydrophobicContact CB-CB 4.17Å; L38-A152 HydrophobicContact CD1-CB 4.15Å; L38-A152 HydrophobicContact CD2-CB 4.02Å; L38-A152 HydrophobicContact CG-CB 4.34Å; E148-A152 WeakPolarHBondContact O-CB 3.18Å; E148-A152 PolarHBondContact O-N 3.4Å; F149-A152 PolarHBondContact O-N 3.44Å; A152-T155 PolarHBondContact O-N 3.1Å; A152-I156 WeakPolarHBondContact O-CB 3.34Å; A152-I156 VanDerWaalsContact O-CG1 3.28Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 3.4Å |
| 153 | A | 93.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 29 Ų | 29 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F149 T155 I156 C157 F169 F178 | F149-A153 VanDerWaalsContact O-CB 3.31Å; F149-A153 WeakPolarHBondContact O-CB 3.47Å; F149-A153 PolarHBondContact O-N 3.44Å; A153-T155 VanDerWaalsContact C-N 3.35Å; A153-T155 PolarHBondContact O-N 3.38Å; A153-I156 PolarHBondContact O-N 3.48Å; A153-C157 VanDerWaalsContact O-CB 3.31Å; A153-C157 WeakPolarHBondContact O-CB 3.4Å; A153-C157 PolarHBondContact O-N 2.82Å; A153-C157 PolarHBondContact O-SG 2.92Å; A153-F169 HydrophobicContact CB-CE1 4.4Å; A153-F169 HydrophobicContact CB-CZ 4.01Å; A153-F178 HydrophobicContact CB-CZ 4.36Å |
| 154 | A | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W64 E150 S158 F178 S194 | W64-A154 HydrophobicContact CH2-CB 3.69Å; W64-A154 HydrophobicContact CZ2-CB 3.86Å; E150-A154 WeakPolarHBondContact O-CB 3.18Å; E150-A154 PolarHBondContact O-N 3.46Å; A154-S158 VanDerWaalsContact O-CB 3.23Å; A154-S158 WeakPolarHBondContact O-CB 3.31Å; A154-S158 PolarHBondContact O-N 3.46Å; A154-S158 PolarHBondContact O-OG 3.34Å; A154-F178 HydrophobicContact CB-CE1 4.11Å; A154-S194 WeakPolarHBondContact CB-OG 3.16Å |
| 155 | T | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 178.6 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L38 L42 W59 Y63 W64 M151 A152 A153 S158 L159 | L38-T155 HydrophobicContact CD1-CG2 4.4Å; L38-T155 HydrophobicContact CD2-CG2 4.43Å; L42-T155 HydrophobicContact CD1-CG2 4.12Å; W59-T155 HydrophobicContact CH2-CG2 3.7Å; W59-T155 HydrophobicContact CZ3-CG2 4.3Å; Y63-T155 HydrophobicContact CE1-CG2 4.31Å; W64-T155 WeakPolarHBondContact CZ2-OG1 3.38Å; W64-T155 PolarHBondContact NE1-OG1 3.29Å; M151-T155 WeakPolarHBondContact O-CB 3.41Å; M151-T155 PolarHBondContact O-N 3.13Å; M151-T155 PolarHBondContact O-OG1 2.95Å; A152-T155 PolarHBondContact O-N 3.1Å; A153-T155 VanDerWaalsContact C-N 3.35Å; A153-T155 PolarHBondContact O-N 3.38Å; T155-S158 WeakPolarHBondContact CA-OG 3.13Å; T155-S158 PolarHBondContact O-OG 2.96Å; T155-L159 HydrophobicContact CG2-CD1 3.86Å; T155-L159 HydrophobicContact CG2-CG 4.45Å; T155-L159 WeakPolarHBondContact O-CB 3.42Å; T155-L159 VanDerWaalsContact O-CG 3.26Å; T155-L159 WeakPolarHBondContact O-CG 3.16Å; T155-L159 PolarHBondContact O-N 3.37Å; T155-L159 VanDerWaalsContact O-N 3.12Å |
| 156 | I | 91.6 | Very high | 86.6 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 176.9 | -70.6 | 168.5 | 0 | 0 | 0 | 110.1 | L38 F41 A152 A153 L160 | L38-I156 HydrophobicContact CD1-CD1 3.78Å; L38-I156 HydrophobicContact CD1-CG1 3.51Å; F41-I156 HydrophobicContact CD1-CD1 3.94Å; F41-I156 HydrophobicContact CD1-CG1 3.87Å; F41-I156 HydrophobicContact CE1-CB 4.41Å; F41-I156 HydrophobicContact CE1-CD1 4.1Å; F41-I156 HydrophobicContact CE1-CG1 3.82Å; F41-I156 HydrophobicContact CE1-CG2 3.83Å; F41-I156 HydrophobicContact CZ-CG2 4.24Å; A152-I156 WeakPolarHBondContact O-CB 3.34Å; A152-I156 VanDerWaalsContact O-CG1 3.28Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 3.4Å; A153-I156 PolarHBondContact O-N 3.48Å; I156-L160 HydrophobicContact CG2-CD1 4.29Å; I156-L160 WeakPolarHBondContact O-CB 3.47Å; I156-L160 PolarHBondContact O-N 2.78Å |
| 157 | C | 91.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 178.3 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | A153 L159 R161 C167 F178 | A153-C157 VanDerWaalsContact O-CB 3.31Å; A153-C157 WeakPolarHBondContact O-CB 3.4Å; A153-C157 PolarHBondContact O-N 2.82Å; A153-C157 PolarHBondContact O-SG 2.92Å; C157-L159 VanDerWaalsContact C-N 3.32Å; C157-L159 PolarHBondContact O-N 3.33Å; C157-R161 CarbonylContact O-C 3.59Å; C157-R161 VanDerWaalsContact O-CA 3.23Å; C157-R161 WeakPolarHBondContact O-CA 3.38Å; C157-R161 PolarHBondContact O-N 3.37Å; C157-C167 WeakPolarHBondContact CA-SG 3.45Å; C157-C167 HydrophobicContact CB-CB 3.43Å; C157-C167 VanDerWaalsContact CB-CB 3.43Å; C157-C167 WeakPolarHBondContact CB-SG 3.3Å; C157-C167 WeakPolarHBondContact SG-CB 3.4Å; C157-C167 CovalentContact SG-SG 2.04Å; C157-C167 PolarHBondContact SG-SG 3.1Å; C157-F178 HydrophobicContact CB-CB 4.09Å |
| 158 | S | 88.8 | Confident | 86 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -32.3 | -177.2 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | Y63 A154 T155 P162 K567 | Y63-S158 WeakPolarHBondContact OH-CB 3.38Å; Y63-S158 PolarHBondContact OH-OG 3.2Å; A154-S158 VanDerWaalsContact O-CB 3.23Å; A154-S158 WeakPolarHBondContact O-CB 3.31Å; A154-S158 PolarHBondContact O-N 3.46Å; A154-S158 PolarHBondContact O-OG 3.34Å; T155-S158 WeakPolarHBondContact CA-OG 3.13Å; T155-S158 PolarHBondContact O-OG 2.96Å; S158-P162 WeakPolarHBondContact O-CB 3.48Å; S158-K567 PolarHBondContact O-NZ 2.66Å |
| 159 | L | 88.1 | Confident | 85.7 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.1 | -52.8 | 175.7 | -66.4 | 176.1 | 0 | 0 | 0 | 112.9 | L42 W59 Y63 T155 C157 | L42-L159 HydrophobicContact CD1-CD1 4.38Å; L42-L159 HydrophobicContact CD2-CD1 3.67Å; W59-L159 HydrophobicContact CH2-CD1 3.88Å; W59-L159 HydrophobicContact CZ2-CD1 3.98Å; W59-L159 HydrophobicContact CZ2-CD2 4.43Å; Y63-L159 HydrophobicContact CE2-CD2 3.98Å; T155-L159 HydrophobicContact CG2-CD1 3.86Å; T155-L159 HydrophobicContact CG2-CG 4.45Å; T155-L159 WeakPolarHBondContact O-CB 3.42Å; T155-L159 VanDerWaalsContact O-CG 3.26Å; T155-L159 WeakPolarHBondContact O-CG 3.16Å; T155-L159 PolarHBondContact O-N 3.37Å; T155-L159 VanDerWaalsContact O-N 3.12Å; C157-L159 VanDerWaalsContact C-N 3.32Å; C157-L159 PolarHBondContact O-N 3.33Å |
| 160 | L | 83.5 | Confident | 85.2 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 37% | 0.366 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -89 | -32.4 | -170.7 | -58.3 | -169.3 | 0 | 0 | 0 | 113.7 | F41 I156 P162 | F41-L160 HydrophobicContact CE1-CD1 3.55Å; F41-L160 HydrophobicContact CZ-CD1 3.55Å; I156-L160 HydrophobicContact CG2-CD1 4.29Å; I156-L160 WeakPolarHBondContact O-CB 3.47Å; I156-L160 PolarHBondContact O-N 2.78Å; L160-P162 WeakPolarHBondContact O-CD 3.25Å |
| 161 | R | 80.7 | Confident | 84.8 | Confident | 148 Ų | 148 | 42.1 Ų | 42.1 | 56% | 0.558 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -118.6 | 59.6 | 177.6 | -64.3 | -57.5 | -173.1 | -159.6 | 3.2 | 111 | C157 G163 N165 C167 | C157-R161 CarbonylContact O-C 3.59Å; C157-R161 VanDerWaalsContact O-CA 3.23Å; C157-R161 WeakPolarHBondContact O-CA 3.38Å; C157-R161 PolarHBondContact O-N 3.37Å; R161-G163 PolarHBondContact O-N 3.02Å; R161-N165 HydrophobicContact CB-CB 4.42Å; R161-N165 WeakPolarHBondContact CB-O 3.35Å; R161-N165 VanDerWaalsContact O-O 3.05Å; R161-C167 HydrophobicContact CB-CB 3.8Å; R161-C167 HydrophobicContact CG-CB 4.24Å |
| 162 | P | 68.4 | Low | 84.1 | Confident | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | trans | -69.7 | 119.5 | -176.6 | 31.3 | -37.3 | 0 | 0 | 0 | 111 | S158 L160 N165 K565 K567 | S158-P162 WeakPolarHBondContact O-CB 3.48Å; L160-P162 WeakPolarHBondContact O-CD 3.25Å; P162-N165 PolarHBondContact O-ND2 3.48Å; P162-K565 HydrophobicContact CG-CD 4.32Å; P162-K567 HydrophobicContact CB-CD 3.54Å; P162-K567 VanDerWaalsContact CB-NZ 3.26Å | ||
| 163 | G | 64.2 | Low | 83.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.1 | -135.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R161 N165 S180 | R161-G163 PolarHBondContact O-N 3.02Å; G163-N165 PolarHBondContact O-N 3.26Å; G163-N165 VanDerWaalsContact O-N 3.09Å; G163-S180 VanDerWaalsContact CA-O 3.24Å; G163-S180 WeakPolarHBondContact CA-O 3.3Å; G163-S180 PolarHBondContact N-O 3.28Å |
| 164 | A | 59.7 | Low | 82.5 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 74% | 0.736 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | -14.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K166 | A164-K166 PolarHBondContact O-N 3.44Å |
| 165 | N | 73.5 | Confident | 82.3 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 78.1 | 165.6 | -67.6 | -68 | 0 | 0 | 0 | 111.1 | R161 P162 G163 C167 | R161-N165 HydrophobicContact CB-CB 4.42Å; R161-N165 WeakPolarHBondContact CB-O 3.35Å; R161-N165 VanDerWaalsContact O-O 3.05Å; P162-N165 PolarHBondContact O-ND2 3.48Å; G163-N165 PolarHBondContact O-N 3.26Å; G163-N165 VanDerWaalsContact O-N 3.09Å; N165-C167 PolarHBondContact O-N 3.5Å |
| 166 | K | 82.2 | Confident | 82.1 | Confident | 110 Ų | 110 | 48.4 Ų | 48.4 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 117.8 | 178.8 | -74.5 | 163.9 | -163.7 | -93 | 0 | 111.6 | A164 K168 I177 E179 | A164-K166 PolarHBondContact O-N 3.44Å; K166-K168 PolarHBondContact O-N 2.93Å; K166-I177 HydrophobicContact CB-CG2 3.63Å; K166-I177 HydrophobicContact CD-CG2 4.19Å; K166-I177 HydrophobicContact CG-CG2 3.89Å; K166-E179 HydrophobicContact CG-CG 3.91Å; K166-E179 IonicContact NZ-OE1 3.78Å; K166-E179 PolarHBondContact NZ-OE1 2.93Å |
| 167 | C | 88.6 | Confident | 82.1 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 9% | 0.088 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 96.9 | -179 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | C157 R161 N165 F178 | C157-C167 WeakPolarHBondContact CA-SG 3.45Å; C157-C167 HydrophobicContact CB-CB 3.43Å; C157-C167 VanDerWaalsContact CB-CB 3.43Å; C157-C167 WeakPolarHBondContact CB-SG 3.3Å; C157-C167 WeakPolarHBondContact SG-CB 3.4Å; C157-C167 CovalentContact SG-SG 2.04Å; C157-C167 PolarHBondContact SG-SG 3.1Å; R161-C167 HydrophobicContact CB-CB 3.8Å; R161-C167 HydrophobicContact CG-CB 4.24Å; N165-C167 PolarHBondContact O-N 3.5Å; C167-F178 HydrophobicContact CB-CB 3.84Å; C167-F178 WeakPolarHBondContact CB-O 2.97Å; C167-F178 PolarHBondContact N-O 3.21Å; C167-F178 PolarHBondContact O-N 2.89Å |
| 168 | K | 89 | Confident | 82 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 40% | 0.404 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.7 | -177.5 | -66.6 | -173.2 | 159.3 | -144.5 | 0 | 112.4 | K166 E175 V176 I177 | K166-K168 PolarHBondContact O-N 2.93Å; K168-E175 WeakPolarHBondContact CD-OE1 3.33Å; K168-E175 WeakPolarHBondContact CE-OE1 3.42Å; K168-E175 IonicContact NZ-OE1 2.96Å; K168-E175 PolarHBondContact NZ-OE1 2.92Å; K168-E175 IonicContact NZ-OE2 2.7Å; K168-V176 WeakPolarHBondContact CA-O 3.3Å; K168-I177 HydrophobicContact CG-CG1 4.27Å; K168-I177 HydrophobicContact CG-CG2 4.33Å |
| 169 | F | 89 | Confident | 82.1 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 178.5 | 168.7 | 60 | -91 | 0 | 0 | 0 | 111.2 | F149 A153 V176 F178 | F149-F169 HydrophobicContact CZ-CE2 4.38Å; A153-F169 HydrophobicContact CB-CE1 4.4Å; A153-F169 HydrophobicContact CB-CZ 4.01Å; F169-V176 HydrophobicContact CD2-CB 4.49Å; F169-V176 HydrophobicContact CE2-CB 4.27Å; F169-V176 HydrophobicContact CZ-CB 4.44Å; F169-V176 HydrophobicContact CZ-CG1 4.35Å; F169-V176 PolarHBondContact N-O 3.33Å; F169-V176 PolarHBondContact O-N 3.26Å; F169-F178 HydrophobicContact CE1-CB 4.35Å; F169-F178 AromaticContact CE1-CD2 3.35Å; F169-F178 HydrophobicContact CE1-CD2 3.35Å; F169-F178 AromaticContact CE1-CE2 3.81Å; F169-F178 HydrophobicContact CE1-CE2 3.81Å; F169-F178 HydrophobicContact CE1-CG 4.02Å; F169-F178 AromaticContact CZ-CD2 3.52Å; F169-F178 HydrophobicContact CZ-CD2 3.52Å; F169-F178 AromaticContact CZ-CE2 3.45Å; F169-F178 HydrophobicContact CZ-CE2 3.45Å; F169-F178 VanDerWaalsContact CZ-CE2 3.45Å; F169-F178 HydrophobicContact CZ-CG 4.5Å; F169-F178 HydrophobicContact CZ-CZ 4.4Å |
| 170 | F | 83.8 | Confident | 82.2 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 23% | 0.232 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.1 | 172.1 | -79.3 | -98.2 | 0 | 0 | 0 | 110.7 | N173 C174 E175 R203 A543 | F170-N173 WeakPolarHBondContact CD1-O 3.34Å; F170-C174 VanDerWaalsContact CA-O 3.31Å; F170-C174 WeakPolarHBondContact CA-O 3.47Å; F170-C174 VanDerWaalsContact CD1-C 3.46Å; F170-E175 HydrophobicContact CE1-CB 4.24Å; F170-E175 HydrophobicContact CZ-CB 4.26Å; F170-R203 HydrophobicContact CD1-CG 4.32Å; F170-R203 HydrophobicContact CE1-CG 3.84Å; F170-A543 HydrophobicContact CE2-CB 3.45Å; F170-A543 VanDerWaalsContact CE2-CB 3.45Å; F170-A543 HydrophobicContact CZ-CB 3.64Å |
| 171 | Y | 86.4 | Confident | 82.5 | Confident | 35 Ų | 35 | 44 Ų | 44 | 14% | 0.137 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.2 | 171.4 | 178.5 | -104.8 | 0 | 0 | 0 | 107.7 | S123 L142 L143 S145 F149 N173 C174 | S123-Y171 WeakPolarHBondContact CB-O 3.42Å; S123-Y171 WeakPolarHBondContact O-CD1 3.37Å; S123-Y171 PolarHBondContact OG-O 2.89Å; L142-Y171 HydrophobicContact CD2-CD1 3.68Å; L142-Y171 HydrophobicContact CD2-CE1 4.3Å; L142-Y171 HydrophobicContact CD2-CG 4.04Å; L143-Y171 VanDerWaalsContact O-CE1 3.31Å; L143-Y171 WeakPolarHBondContact O-CE1 3.47Å; L143-Y171 PolarHBondContact O-OH 2.85Å; S145-Y171 VanDerWaalsContact CA-OH 3.31Å; S145-Y171 WeakPolarHBondContact CA-OH 3.37Å; S145-Y171 PolarHBondContact N-OH 2.8Å; F149-Y171 HydrophobicContact CD1-CE2 4.25Å; F149-Y171 AromaticContact CE1-CD2 3.6Å; F149-Y171 HydrophobicContact CE1-CD2 3.6Å; F149-Y171 AromaticContact CE1-CE2 3.75Å; F149-Y171 HydrophobicContact CE1-CE2 3.75Å; F149-Y171 HydrophobicContact CE1-CG 4.44Å; F149-Y171 AromaticContact CZ-CD2 3.66Å; F149-Y171 HydrophobicContact CZ-CD2 3.66Å; F149-Y171 HydrophobicContact CZ-CE2 4.04Å; Y171-N173 PolarHBondContact O-N 3.29Å; Y171-N173 VanDerWaalsContact O-N 3.1Å; Y171-C174 PolarHBondContact N-O 3.13Å; Y171-C174 PolarHBondContact O-N 3.09Å |
| 172 | K | 80.4 | Confident | 82.9 | Confident | 83 Ų | 83 | 38.1 Ų | 38.1 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 37.7 | 54.6 | -173.7 | -71.7 | 177 | 167.6 | -163.6 | 0 | 112.7 | D122 C174 | D122-K172 WeakPolarHBondContact O-CD 3.36Å; D122-K172 WeakPolarHBondContact O-CE 3.4Å; D122-K172 PolarHBondContact O-NZ 2.84Å; D122-K172 IonicContact OD2-NZ 3.68Å; D122-K172 PolarHBondContact OD2-NZ 3.45Å; K172-C174 PolarHBondContact O-N 3.33Å |
| 173 | N | 75.3 | Confident | 83.7 | Confident | 64 Ų | 64 | 38 Ų | 38 | 34% | 0.342 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -3.1 | -177.3 | -70.6 | -48 | 0 | 0 | 0 | 119.3 | F170 Y171 R203 Y540 | F170-N173 WeakPolarHBondContact CD1-O 3.34Å; Y171-N173 PolarHBondContact O-N 3.29Å; Y171-N173 VanDerWaalsContact O-N 3.1Å; N173-R203 HydrophobicContact CB-CB 4.18Å; N173-R203 PolarHBondContact O-N 3.36Å; N173-Y540 PolarHBondContact OD1-OH 2.69Å |
| 174 | C | 81.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 149.6 | 175.8 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | R120 F170 Y171 K172 V176 C202 | R120-C174 HydrophobicContact CB-CB 3.96Å; R120-C174 PolarHBondContact O-SG 2.95Å; F170-C174 VanDerWaalsContact CA-O 3.31Å; F170-C174 WeakPolarHBondContact CA-O 3.47Å; F170-C174 VanDerWaalsContact CD1-C 3.46Å; Y171-C174 PolarHBondContact N-O 3.13Å; Y171-C174 PolarHBondContact O-N 3.09Å; K172-C174 PolarHBondContact O-N 3.33Å; C174-V176 PolarHBondContact O-N 2.89Å; C174-C202 HydrophobicContact CB-CB 4.1Å; C174-C202 WeakPolarHBondContact CB-SG 3.17Å; C174-C202 WeakPolarHBondContact SG-CB 3.3Å; C174-C202 CovalentContact SG-SG 2.04Å; C174-C202 PolarHBondContact SG-SG 3Å |
| 175 | E | 87.3 | Confident | 86.2 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.9 | 173.7 | -179.4 | -172.8 | -136.8 | 0 | 0 | 109.6 | K168 F170 I177 G199 K200 T201 | K168-E175 WeakPolarHBondContact CD-OE1 3.33Å; K168-E175 WeakPolarHBondContact CE-OE1 3.42Å; K168-E175 IonicContact NZ-OE1 2.96Å; K168-E175 PolarHBondContact NZ-OE1 2.92Å; K168-E175 IonicContact NZ-OE2 2.7Å; F170-E175 HydrophobicContact CE1-CB 4.24Å; F170-E175 HydrophobicContact CZ-CB 4.26Å; E175-I177 HydrophobicContact CG-CG1 4.31Å; E175-G199 VanDerWaalsContact O-CA 3.3Å; E175-G199 WeakPolarHBondContact O-CA 3.49Å; E175-G199 PolarHBondContact O-N 3.42Å; E175-G199 WeakPolarHBondContact OE2-CA 3.2Å; E175-K200 PolarHBondContact OE2-N 2.77Å; E175-T201 PolarHBondContact N-O 3.08Å |
| 176 | V | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.2 | 172.9 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | V124 L142 K168 F169 C174 F178 P196 | V124-V176 HydrophobicContact CB-CG2 4.03Å; V124-V176 HydrophobicContact CG1-CG2 3.96Å; V124-V176 HydrophobicContact CG2-CG1 4.26Å; V124-V176 HydrophobicContact CG2-CG2 4.48Å; L142-V176 HydrophobicContact CD2-CB 4.32Å; L142-V176 HydrophobicContact CD2-CG1 3.73Å; L142-V176 HydrophobicContact CD2-CG2 3.76Å; K168-V176 WeakPolarHBondContact CA-O 3.3Å; F169-V176 HydrophobicContact CD2-CB 4.49Å; F169-V176 HydrophobicContact CE2-CB 4.27Å; F169-V176 HydrophobicContact CZ-CB 4.44Å; F169-V176 HydrophobicContact CZ-CG1 4.35Å; F169-V176 PolarHBondContact N-O 3.33Å; F169-V176 PolarHBondContact O-N 3.26Å; C174-V176 PolarHBondContact O-N 2.89Å; V176-F178 HydrophobicContact CG1-CD2 3.9Å; V176-F178 HydrophobicContact CG1-CE2 4.01Å; V176-P196 HydrophobicContact CG1-CB 3.5Å; V176-P196 VanDerWaalsContact CG1-CB 3.5Å |
| 177 | I | 91.2 | Very high | 86.6 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 101.6 | -178.5 | -49.6 | -174.3 | 0 | 0 | 0 | 109 | K166 K168 E175 P196 K197 | K166-I177 HydrophobicContact CB-CG2 3.63Å; K166-I177 HydrophobicContact CD-CG2 4.19Å; K166-I177 HydrophobicContact CG-CG2 3.89Å; K168-I177 HydrophobicContact CG-CG1 4.27Å; K168-I177 HydrophobicContact CG-CG2 4.33Å; E175-I177 HydrophobicContact CG-CG1 4.31Å; I177-P196 CarbonylContact O-C 3.44Å; I177-P196 WeakPolarHBondContact O-CA 3.14Å; I177-K197 HydrophobicContact CB-CB 4.47Å; I177-K197 PolarHBondContact N-O 3.21Å; I177-K197 PolarHBondContact O-N 2.79Å |
| 178 | F | 90.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.6 | 173.2 | -96.8 | -114 | 0 | 0 | 0 | 111.4 | L142 A153 A154 C157 C167 F169 V176 F195 P196 | L142-F178 HydrophobicContact CD1-CE2 3.86Å; L142-F178 HydrophobicContact CD1-CZ 3.97Å; L142-F178 HydrophobicContact CG-CE2 4.07Å; L142-F178 HydrophobicContact CG-CZ 4.37Å; A153-F178 HydrophobicContact CB-CZ 4.36Å; A154-F178 HydrophobicContact CB-CE1 4.11Å; C157-F178 HydrophobicContact CB-CB 4.09Å; C167-F178 HydrophobicContact CB-CB 3.84Å; C167-F178 WeakPolarHBondContact CB-O 2.97Å; C167-F178 PolarHBondContact N-O 3.21Å; C167-F178 PolarHBondContact O-N 2.89Å; F169-F178 HydrophobicContact CE1-CB 4.35Å; F169-F178 AromaticContact CE1-CD2 3.35Å; F169-F178 HydrophobicContact CE1-CD2 3.35Å; F169-F178 AromaticContact CE1-CE2 3.81Å; F169-F178 HydrophobicContact CE1-CE2 3.81Å; F169-F178 HydrophobicContact CE1-CG 4.02Å; F169-F178 AromaticContact CZ-CD2 3.52Å; F169-F178 HydrophobicContact CZ-CD2 3.52Å; F169-F178 AromaticContact CZ-CE2 3.45Å; F169-F178 HydrophobicContact CZ-CE2 3.45Å; F169-F178 VanDerWaalsContact CZ-CE2 3.45Å; F169-F178 HydrophobicContact CZ-CG 4.5Å; F169-F178 HydrophobicContact CZ-CZ 4.4Å; V176-F178 HydrophobicContact CG1-CD2 3.9Å; V176-F178 HydrophobicContact CG1-CE2 4.01Å; F178-F195 CarbonylContact C-O 2.97Å; F178-F195 VanDerWaalsContact CA-O 3.3Å; F178-F195 WeakPolarHBondContact CA-O 3.25Å; F178-P196 HydrophobicContact CD2-CB 3.85Å; F178-P196 HydrophobicContact CE2-CB 3.59Å; F178-P196 HydrophobicContact CE2-CG 4.19Å; F178-P196 HydrophobicContact CZ-CB 4.22Å; F178-P196 HydrophobicContact CZ-CG 4.36Å |
| 179 | E | 90.5 | Very high | 86.3 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.6 | 169.7 | -72.6 | 175.1 | -158.5 | 0 | 0 | 108.5 | K166 S194 F195 K197 | K166-E179 HydrophobicContact CG-CG 3.91Å; K166-E179 IonicContact NZ-OE1 3.78Å; K166-E179 PolarHBondContact NZ-OE1 2.93Å; E179-S194 CarbonylContact O-C 3.59Å; E179-S194 WeakPolarHBondContact O-CA 3.13Å; E179-F195 HydrophobicContact CB-CD1 4.31Å; E179-F195 HydrophobicContact CB-CE1 3.85Å; E179-F195 HydrophobicContact CB-CZ 3.98Å; E179-F195 PolarHBondContact N-O 3.02Å; E179-F195 VanDerWaalsContact O-CD1 3.27Å; E179-F195 WeakPolarHBondContact O-CD1 3.08Å; E179-F195 PolarHBondContact O-N 2.8Å; E179-K197 WeakPolarHBondContact OE1-CD 3.48Å; E179-K197 WeakPolarHBondContact OE1-CE 3.22Å; E179-K197 IonicContact OE1-NZ 3.69Å; E179-K197 PolarHBondContact OE1-NZ 3.47Å; E179-K197 WeakPolarHBondContact OE2-CE 3.3Å; E179-K197 IonicContact OE2-NZ 3.75Å; E179-K197 PolarHBondContact OE2-NZ 2.74Å |
| 180 | S | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 132.9 | -171.5 | -47.9 | 0 | 0 | 0 | 0 | 111.5 | G163 T193 S194 K567 | G163-S180 VanDerWaalsContact CA-O 3.24Å; G163-S180 WeakPolarHBondContact CA-O 3.3Å; G163-S180 PolarHBondContact N-O 3.28Å; S180-T193 CarbonylContact C-O 3.34Å; S180-T193 VanDerWaalsContact CA-O 3.31Å; S180-T193 WeakPolarHBondContact CA-O 3.1Å; S180-S194 PolarHBondContact OG-OG 2.83Å; S180-K567 WeakPolarHBondContact O-CE 3.49Å |
| 181 | H | 88.8 | Confident | 86.7 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 153.5 | -175.2 | -51.3 | -123.4 | 0 | 0 | 0 | 111.4 | S192 T193 R568 | H181-S192 CarbonylContact O-C 3.59Å; H181-S192 WeakPolarHBondContact O-CA 3.38Å; H181-S192 WeakPolarHBondContact O-CB 3.39Å; H181-S192 PolarHBondContact O-N 2.86Å; H181-T193 HydrophobicContact CB-CG2 3.51Å; H181-T193 PolarHBondContact N-O 2.64Å; H181-T193 PolarHBondContact O-N 3.18Å; H181-T193 VanDerWaalsContact O-O 3.11Å; H181-R568 VanDerWaalsContact ND1-C 3.34Å; H181-R568 PolarHBondContact ND1-O 3.44Å |
| 182 | D | 88.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -178.1 | -174.6 | -41.2 | -25.4 | 0 | 0 | 0 | 110.3 | F190 K567 R568 G569 | D182-F190 CarbonylContact C-O 3.59Å; D182-F190 WeakPolarHBondContact CA-O 3.37Å; D182-F190 VanDerWaalsContact CB-O 3.26Å; D182-F190 WeakPolarHBondContact CB-O 3.39Å; D182-K567 WeakPolarHBondContact OD1-CE 3.5Å; D182-K567 IonicContact OD1-NZ 2.89Å; D182-K567 PolarHBondContact OD1-NZ 3.14Å; D182-K567 WeakPolarHBondContact OD2-CE 3.21Å; D182-K567 IonicContact OD2-NZ 2.68Å; D182-K567 PolarHBondContact OD2-NZ 2.86Å; D182-R568 HydrophobicContact CB-CG 4.2Å; D182-R568 WeakPolarHBondContact O-CB 3.33Å; D182-R568 WeakPolarHBondContact O-CG 3.49Å; D182-G569 WeakPolarHBondContact O-CA 3.48Å |
| 183 | I | 86.4 | Confident | 87.3 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.1 | 169.7 | -163.5 | 166.1 | 0 | 0 | 0 | 110.1 | Y68 R70 N189 F190 | Y68-I183 HydrophobicContact CD1-CG2 4.19Å; Y68-I183 HydrophobicContact CD2-CG2 3.69Å; Y68-I183 HydrophobicContact CE1-CG2 4.21Å; Y68-I183 HydrophobicContact CE2-CG2 3.77Å; Y68-I183 HydrophobicContact CG-CG2 3.94Å; R70-I183 HydrophobicContact CG-CD1 4.49Å; I183-N189 WeakPolarHBondContact O-CA 3.35Å; I183-F190 HydrophobicContact CG2-CB 4.15Å; I183-F190 PolarHBondContact N-O 2.99Å; I183-F190 PolarHBondContact O-N 3.13Å |
| 184 | T | 88.7 | Confident | 88.1 | Confident | 56 Ų | 56 | 34.9 Ų | 34.9 | 34% | 0.344 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.4 | -178.9 | -44.6 | 0 | 0 | 0 | 0 | 110 | K188 N189 R568 | T184-K188 WeakPolarHBondContact CA-O 3.31Å; T184-N189 WeakPolarHBondContact CB-OD1 3.23Å; T184-N189 PolarHBondContact OG1-OD1 3.34Å; T184-R568 PolarHBondContact OG1-NE 2.89Å |
| 185 | R | 86.6 | Confident | 88.6 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131.4 | 175.7 | -65.7 | -63.1 | -179.5 | -107.4 | 8.5 | 109.8 | A69 R70 G187 K188 F190 | A69-R185 PolarHBondContact O-NE 2.85Å; A69-R185 PolarHBondContact O-NH2 3.01Å; R70-R185 PolarHBondContact O-NH2 3.25Å; R185-G187 PolarHBondContact O-N 3.1Å; R185-G187 VanDerWaalsContact O-N 3.17Å; R185-K188 PolarHBondContact N-O 3.19Å; R185-K188 PolarHBondContact O-N 2.72Å; R185-F190 HydrophobicContact CB-CE2 3.91Å |
| 186 | H | 82.8 | Confident | 88.9 | Confident | 197 Ų | 197 | 36.3 Ų | 36.3 | 91% | 0.912 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 45.3 | 178.9 | -53.2 | -78.6 | 0 | 0 | 0 | 113.2 | K188 | H186-K188 PolarHBondContact O-N 3.11Å; H186-K188 VanDerWaalsContact O-N 3.11Å |
| 187 | G | 82.3 | Confident | 88.9 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 75% | 0.753 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77 | -21.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | R185 | R185-G187 PolarHBondContact O-N 3.1Å; R185-G187 VanDerWaalsContact O-N 3.17Å |
| 188 | K | 84.8 | Confident | 88.8 | Confident | 71 Ų | 71 | 39.1 Ų | 39.1 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 141.1 | 178.6 | -174.6 | 171.2 | 178.1 | -177.9 | 0 | 111.6 | D62 S66 T184 R185 H186 F190 | D62-K188 IonicContact OD1-NZ 3.24Å; D62-K188 PolarHBondContact OD1-NZ 2.89Å; D62-K188 WeakPolarHBondContact OD2-CE 3.07Å; D62-K188 IonicContact OD2-NZ 2.74Å; D62-K188 PolarHBondContact OD2-NZ 3.36Å; S66-K188 PolarHBondContact OG-NZ 3.12Å; T184-K188 WeakPolarHBondContact CA-O 3.31Å; R185-K188 PolarHBondContact N-O 3.19Å; R185-K188 PolarHBondContact O-N 2.72Å; H186-K188 PolarHBondContact O-N 3.11Å; H186-K188 VanDerWaalsContact O-N 3.11Å; K188-F190 HydrophobicContact CB-CD2 4.4Å; K188-F190 HydrophobicContact CB-CE2 3.58Å; K188-F190 HydrophobicContact CB-CZ 3.79Å; K188-F190 HydrophobicContact CD-CD1 4.47Å; K188-F190 HydrophobicContact CD-CE1 3.76Å; K188-F190 HydrophobicContact CD-CE2 4.13Å; K188-F190 HydrophobicContact CD-CZ 3.56Å; K188-F190 HydrophobicContact CG-CD2 4.19Å; K188-F190 HydrophobicContact CG-CE1 4.14Å; K188-F190 HydrophobicContact CG-CE2 3.67Å; K188-F190 HydrophobicContact CG-CZ 3.66Å; K188-F190 WeakPolarHBondContact O-CD2 3.19Å; K188-F190 WeakPolarHBondContact O-CE2 3.3Å |
| 189 | N | 86.3 | Confident | 88.5 | Confident | 84 Ų | 84 | 39.1 Ų | 39.1 | 45% | 0.449 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.1 | 172 | -77.3 | -49.1 | 0 | 0 | 0 | 109.8 | I183 T184 | I183-N189 WeakPolarHBondContact O-CA 3.35Å; T184-N189 WeakPolarHBondContact CB-OD1 3.23Å; T184-N189 PolarHBondContact OG1-OD1 3.34Å |
| 190 | F | 90.2 | Very high | 88.2 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133.6 | -177.7 | -54.1 | -107 | 0 | 0 | 0 | 108.8 | Y68 D182 I183 R185 K188 S192 | Y68-F190 HydrophobicContact CD1-CB 3.36Å; Y68-F190 AromaticContact CD1-CD1 3.67Å; Y68-F190 HydrophobicContact CD1-CD1 3.67Å; Y68-F190 HydrophobicContact CD1-CD2 4.34Å; Y68-F190 HydrophobicContact CD1-CE1 4.49Å; Y68-F190 AromaticContact CD1-CG 3.57Å; Y68-F190 HydrophobicContact CD1-CG 3.57Å; Y68-F190 HydrophobicContact CE1-CB 3.67Å; Y68-F190 HydrophobicContact CE1-CG 4.37Å; Y68-F190 HydrophobicContact CG-CB 4.23Å; Y68-F190 HydrophobicContact CG-CD1 4.4Å; Y68-F190 HydrophobicContact CG-CG 4.19Å; D182-F190 CarbonylContact C-O 3.59Å; D182-F190 WeakPolarHBondContact CA-O 3.37Å; D182-F190 VanDerWaalsContact CB-O 3.26Å; D182-F190 WeakPolarHBondContact CB-O 3.39Å; I183-F190 HydrophobicContact CG2-CB 4.15Å; I183-F190 PolarHBondContact N-O 2.99Å; I183-F190 PolarHBondContact O-N 3.13Å; R185-F190 HydrophobicContact CB-CE2 3.91Å; K188-F190 HydrophobicContact CB-CD2 4.4Å; K188-F190 HydrophobicContact CB-CE2 3.58Å; K188-F190 HydrophobicContact CB-CZ 3.79Å; K188-F190 HydrophobicContact CD-CD1 4.47Å; K188-F190 HydrophobicContact CD-CE1 3.76Å; K188-F190 HydrophobicContact CD-CE2 4.13Å; K188-F190 HydrophobicContact CD-CZ 3.56Å; K188-F190 HydrophobicContact CG-CD2 4.19Å; K188-F190 HydrophobicContact CG-CE1 4.14Å; K188-F190 HydrophobicContact CG-CE2 3.67Å; K188-F190 HydrophobicContact CG-CZ 3.66Å; K188-F190 WeakPolarHBondContact O-CD2 3.19Å; K188-F190 WeakPolarHBondContact O-CE2 3.3Å; F190-S192 PolarHBondContact O-N 3.3Å |
| 191 | L | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 130.3 | 171.3 | 174.9 | 63.4 | 0 | 0 | 0 | 108.1 | Y63 W64 A79 T193 | Y63-L191 HydrophobicContact CE1-CB 4.18Å; Y63-L191 HydrophobicContact CE1-CD2 3.82Å; W64-L191 HydrophobicContact CE3-CD2 4.2Å; W64-L191 HydrophobicContact CH2-CD2 3.58Å; W64-L191 HydrophobicContact CZ2-CD2 3.92Å; W64-L191 HydrophobicContact CZ3-CD2 3.71Å; A79-L191 VanDerWaalsContact CA-O 3.27Å; A79-L191 WeakPolarHBondContact CA-O 3.38Å; A79-L191 HydrophobicContact CB-CB 3.64Å; A79-L191 HydrophobicContact CB-CD2 4.2Å; A79-L191 HydrophobicContact CB-CG 3.94Å; A79-L191 WeakPolarHBondContact CB-O 3.4Å; L191-T193 WeakPolarHBondContact CD1-O 3.36Å |
| 192 | S | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -32 | -171.7 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | R70 H82 H181 F190 G569 K570 | R70-S192 PolarHBondContact NH1-OG 2.98Å; R70-S192 PolarHBondContact NH2-O 2.87Å; R70-S192 PolarHBondContact NH2-OG 3.41Å; H82-S192 WeakPolarHBondContact CB-O 3.48Å; H82-S192 PolarHBondContact ND1-O 2.94Å; H181-S192 CarbonylContact O-C 3.59Å; H181-S192 WeakPolarHBondContact O-CA 3.38Å; H181-S192 WeakPolarHBondContact O-CB 3.39Å; H181-S192 PolarHBondContact O-N 2.86Å; F190-S192 PolarHBondContact O-N 3.3Å; S192-G569 WeakPolarHBondContact OG-CA 3.25Å; S192-K570 PolarHBondContact OG-N 2.7Å; S192-K570 PolarHBondContact OG-O 3.03Å |
| 193 | T | 91 | Very high | 85.8 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 148.7 | 175 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | H82 S180 H181 L191 F195 | H82-T193 PolarHBondContact CD2-OG1 3.01Å; H82-T193 WeakPolarHBondContact CE1-CB 3.38Å; H82-T193 PolarHBondContact CE1-OG1 2.87Å; H82-T193 VanDerWaalsContact CG-CA 3.46Å; H82-T193 VanDerWaalsContact ND1-CB 3.28Å; H82-T193 WeakPolarHBondContact ND1-CB 3.41Å; H82-T193 WeakPolarHBondContact NE2-CB 3.4Å; H82-T193 PolarHBondContact NE2-OG1 3.25Å; S180-T193 CarbonylContact C-O 3.34Å; S180-T193 VanDerWaalsContact CA-O 3.31Å; S180-T193 WeakPolarHBondContact CA-O 3.1Å; H181-T193 HydrophobicContact CB-CG2 3.51Å; H181-T193 PolarHBondContact N-O 2.64Å; H181-T193 PolarHBondContact O-N 3.18Å; H181-T193 VanDerWaalsContact O-O 3.11Å; L191-T193 WeakPolarHBondContact CD1-O 3.36Å; T193-F195 WeakPolarHBondContact OG1-CD1 3.4Å |
| 194 | S | 92.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 125.9 | 170.1 | -161.1 | 0 | 0 | 0 | 0 | 108 | A154 E179 S180 | A154-S194 WeakPolarHBondContact CB-OG 3.16Å; E179-S194 CarbonylContact O-C 3.59Å; E179-S194 WeakPolarHBondContact O-CA 3.13Å; S180-S194 PolarHBondContact OG-OG 2.83Å |
| 195 | F | 91.2 | Very high | 82.3 | Confident | 34 Ų | 34 | 53 Ų | 53 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 143 | -172.2 | 65.4 | -75.7 | 0 | 0 | 0 | 114.2 | H97 F178 E179 T193 K197 | H97-F195 HydrophobicContact CB-CB 3.65Å; H97-F195 VanDerWaalsContact CD2-CB 3.41Å; H97-F195 WeakPolarHBondContact CD2-CB 3.38Å; H97-F195 AromaticContact CE1-CD2 3.82Å; H97-F195 AromaticContact CE1-CG 3.9Å; H97-F195 WeakPolarHBondContact ND1-CB 3.34Å; H97-F195 AromaticContact NE2-CG 3.95Å; F178-F195 CarbonylContact C-O 2.97Å; F178-F195 VanDerWaalsContact CA-O 3.3Å; F178-F195 WeakPolarHBondContact CA-O 3.25Å; E179-F195 HydrophobicContact CB-CD1 4.31Å; E179-F195 HydrophobicContact CB-CE1 3.85Å; E179-F195 HydrophobicContact CB-CZ 3.98Å; E179-F195 PolarHBondContact N-O 3.02Å; E179-F195 VanDerWaalsContact O-CD1 3.27Å; E179-F195 WeakPolarHBondContact O-CD1 3.08Å; E179-F195 PolarHBondContact O-N 2.8Å; T193-F195 WeakPolarHBondContact OG1-CD1 3.4Å; F195-K197 HydrophobicContact CD2-CG 4.48Å; F195-K197 HydrophobicContact CE2-CG 4.35Å |
| 196 | P | 93.3 | Very high | 80.1 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 161.4 | 172.5 | 31.9 | -33.5 | 0 | 0 | 0 | 112.3 | V124 G140 M141 L142 V176 I177 F178 | V124-P196 HydrophobicContact CG2-CB 4.27Å; G140-P196 VanDerWaalsContact CA-O 3.31Å; G140-P196 WeakPolarHBondContact CA-O 3.41Å; M141-P196 VanDerWaalsContact C-CG 3.45Å; M141-P196 VanDerWaalsContact CA-CG 3.44Å; L142-P196 HydrophobicContact CD2-CB 4.48Å; L142-P196 HydrophobicContact CG-CB 4.29Å; L142-P196 HydrophobicContact CG-CG 4.19Å; V176-P196 HydrophobicContact CG1-CB 3.5Å; V176-P196 VanDerWaalsContact CG1-CB 3.5Å; I177-P196 CarbonylContact O-C 3.44Å; I177-P196 WeakPolarHBondContact O-CA 3.14Å; F178-P196 HydrophobicContact CD2-CB 3.85Å; F178-P196 HydrophobicContact CE2-CB 3.59Å; F178-P196 HydrophobicContact CE2-CG 4.19Å; F178-P196 HydrophobicContact CZ-CB 4.22Å; F178-P196 HydrophobicContact CZ-CG 4.36Å |
| 197 | K | 90.4 | Very high | 78 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.2 | 159.2 | -64.5 | -179.5 | -176.3 | 169 | 0 | 108.9 | I177 E179 F195 | I177-K197 HydrophobicContact CB-CB 4.47Å; I177-K197 PolarHBondContact N-O 3.21Å; I177-K197 PolarHBondContact O-N 2.79Å; E179-K197 WeakPolarHBondContact OE1-CD 3.48Å; E179-K197 WeakPolarHBondContact OE1-CE 3.22Å; E179-K197 IonicContact OE1-NZ 3.69Å; E179-K197 PolarHBondContact OE1-NZ 3.47Å; E179-K197 WeakPolarHBondContact OE2-CE 3.3Å; E179-K197 IonicContact OE2-NZ 3.75Å; E179-K197 PolarHBondContact OE2-NZ 2.74Å; F195-K197 HydrophobicContact CD2-CG 4.48Å; F195-K197 HydrophobicContact CE2-CG 4.35Å |
| 198 | A | 88.9 | Confident | 76 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | V118 R120 V124 T126 | V118-A198 HydrophobicContact CB-CB 3.94Å; V118-A198 HydrophobicContact CG1-CB 3.5Å; R120-A198 HydrophobicContact CG-CB 3.69Å; V124-A198 HydrophobicContact CG1-CB 4.17Å; V124-A198 HydrophobicContact CG2-CB 4.43Å; T126-A198 PolarHBondContact OG1-N 2.86Å |
| 199 | G | 85.9 | Confident | 73.7 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -177.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R120 E175 | R120-G199 PolarHBondContact NE-O 2.96Å; R120-G199 PolarHBondContact NH2-O 3.16Å; E175-G199 VanDerWaalsContact O-CA 3.3Å; E175-G199 WeakPolarHBondContact O-CA 3.49Å; E175-G199 PolarHBondContact O-N 3.42Å; E175-G199 WeakPolarHBondContact OE2-CA 3.2Å |
| 200 | K | 82.5 | Confident | 71.3 | Confident | 190 Ų | 190 | 59.8 Ų | 59.8 | 83% | 0.826 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -21.3 | 179.9 | -73.3 | -165.4 | 174.6 | -170.3 | 0 | 113.4 | E175 | E175-K200 PolarHBondContact OE2-N 2.77Å |
| 201 | T | 77.1 | Confident | 68.4 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.2 | -169.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | E175 | E175-T201 PolarHBondContact N-O 3.08Å |
| 202 | C | 72.9 | Confident | 65.5 | Low | 39 Ų | 39 | 78.9 Ų | 78.9 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.9 | 160.3 | -69.2 | 0 | 0 | 0 | 0 | 109.1 | C174 L204 | C174-C202 HydrophobicContact CB-CB 4.1Å; C174-C202 WeakPolarHBondContact CB-SG 3.17Å; C174-C202 WeakPolarHBondContact SG-CB 3.3Å; C174-C202 CovalentContact SG-SG 2.04Å; C174-C202 PolarHBondContact SG-SG 3Å; C202-L204 PolarHBondContact O-N 2.85Å |
| 203 | R | 67.2 | Low | 62.8 | Low | 37 Ų | 37 | 88.5 Ų | 88.5 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | trans | -84.4 | 98.8 | 172.6 | -60.8 | 176.8 | -177.9 | 147.1 | 1.7 | 108.5 | F170 N173 S205 Y540 T541 | F170-R203 HydrophobicContact CD1-CG 4.32Å; F170-R203 HydrophobicContact CE1-CG 3.84Å; N173-R203 HydrophobicContact CB-CB 4.18Å; N173-R203 PolarHBondContact O-N 3.36Å; R203-S205 PolarHBondContact O-N 3.33Å; R203-Y540 HydrophobicContact CB-CD2 4.37Å; R203-Y540 HydrophobicContact CB-CE2 4Å; R203-Y540 WeakPolarHBondContact CD-OH 3.35Å; R203-Y540 HydrophobicContact CG-CE2 4.33Å; R203-Y540 PolarHBondContact NH1-OH 2.83Å; R203-T541 PolarHBondContact NE-O 3.42Å; R203-T541 PolarHBondContact NH2-O 3.5Å | ||
| 204 | L | 55 | Low | 59.7 | Low | 87 Ų | 87 | 94.4 Ų | 94.4 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | trans | -57 | 123.4 | 177.3 | -71.4 | 166 | 0 | 0 | 0 | 111.2 | C202 | C202-L204 PolarHBondContact O-N 2.85Š| ||
| 205 | S | 47.6 | Very low | 57 | Low | 49 Ų | 49 | 99.4 Ų | 99.4 | 34% | 0.343 | 50% | 0.502 | S | S | . | . | trans | -71.2 | 123.1 | 144.6 | 51 | 0 | 0 | 0 | 0 | 106.8 | R203 N207 | R203-S205 PolarHBondContact O-N 3.33Å; S205-N207 PolarHBondContact O-N 3.06Å | ||
| 206 | Q | 40.6 | Very low | 54.4 | Low | 70 Ų | 70 | 104 Ų | 104 | 33% | 0.327 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -75 | 16.2 | -164 | -76.2 | -162.8 | -50.2 | 0 | 0 | 116.2 | P538 | Q206-P538 VanDerWaalsContact CD-CG 3.46Š|
| 207 | N | 37.8 | Very low | 51.6 | Low | 130 Ų | 130 | 107 Ų | 107 | 70% | 0.695 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -91 | -5 | -176.6 | -67.4 | 3.7 | 0 | 0 | 0 | 113.9 | S205 | S205-N207 PolarHBondContact O-N 3.06Š|
| 208 | L | 40.8 | Very low | 48.9 | Very low | 131 Ų | 131 | 111 Ų | 111 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -101.9 | 10.8 | -179.8 | -77.4 | 168.7 | 0 | 0 | 0 | 114.7 | ||
| 209 | Q | 37.3 | Very low | 46.3 | Very low | 133 Ų | 133 | 115.4 Ų | 115.4 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -116.3 | 22.9 | 177.4 | -71.9 | -170.8 | -43.1 | 0 | 0 | 114 | ||
| 210 | Q | 34.8 | Very low | 43.8 | Very low | 183 Ų | 183 | 120 Ų | 120 | 86% | 0.855 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -120.1 | 21.2 | 172.1 | -72.4 | -165.5 | -22.1 | 0 | 0 | 113.8 | ||
| 211 | R | 29.6 | Very low | 41.5 | Very low | 231 Ų | 231 | 117.9 Ų | 117.9 | 87% | 0.872 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -120.9 | 144.7 | 159.8 | -69.7 | -176 | 173.3 | -173.1 | -4.1 | 107.7 | ||
| 212 | Q | 31.2 | Very low | 39.4 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 91% | 0.911 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 64 | 78.4 | -176.7 | -60.4 | 179.4 | -11.6 | 0 | 0 | 116.8 | ||
| 213 | K | 31.2 | Very low | 37.4 | Very low | 202 Ų | 202 | 125.1 Ų | 125.1 | 88% | 0.878 | 71% | 0.706 | S | S | * | * | trans | -157.5 | 112.4 | 136.7 | -120.8 | -174 | -178.6 | -169.5 | 0 | 110.5 | ||||
| 214 | P | 27.2 | Very low | 35.6 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | -78.4 | 152.2 | 172 | 33.1 | -33.7 | 0 | 0 | 0 | 110.7 | ||||
| 215 | A | 35.1 | Very low | 34.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | trans | -153 | 109.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 216 | S | 36.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -96.9 | 156.9 | 176.4 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 217 | G | 34.4 | Very low | 33.2 | Very low | 68 Ų | 68 | 145 Ų | 145 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 126.1 | 134.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 218 | V | 32.9 | Very low | 32.9 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | 85.1 | 130.5 | 143.7 | -176.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 219 | P | 35.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 82% | 0.824 | S | S | * | * | -147.1 | -151.4 | -121.7 | 45.8 | -25 | 0 | 0 | 0 | 115.8 | |||||
| 220 | S | 32.1 | Very low | 32.4 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | trans | 78.2 | 151.5 | 163 | 75.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 221 | L | 34.4 | Very low | 32.4 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | cis | -146.3 | 148.7 | 26.7 | -82.8 | 160.7 | 0 | 0 | 0 | 112.8 | ||||
| 222 | L | 32.8 | Very low | 32.8 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | 51.6 | 147.1 | 148.7 | -55.2 | 171.4 | 0 | 0 | 0 | 120.1 | ||||
| 223 | G | 31.8 | Very low | 32.9 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | cis | 163.1 | 130 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 224 | E | 28.2 | Very low | 34 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -83.3 | 138.7 | -175.3 | -60.6 | -178.3 | 126.4 | 0 | 0 | 113.1 | ||||
| 225 | M | 30.1 | Very low | 35.1 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -147.7 | 134.9 | 147.5 | -74.1 | -159.1 | 77.9 | 0 | 0 | 110.5 | ||||
| 226 | S | 28.1 | Very low | 35.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -146.2 | 132.2 | 169.2 | 177 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 227 | I | 36.5 | Very low | 36.8 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -159.4 | 155.4 | 165 | -106.4 | 151 | 0 | 0 | 0 | 108.9 | ||||
| 228 | S | 30.9 | Very low | 37.9 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -80.9 | 152 | -167.9 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 229 | G | 34.7 | Very low | 39.1 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -157.3 | 131.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 230 | K | 33.3 | Very low | 40.4 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -86.8 | 169.9 | 179.1 | -72.1 | 179.7 | 178.6 | 176.1 | 0 | 111.5 | ||||
| 231 | W | 34.6 | Very low | 42 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | 116.4 | 119.8 | 149 | -60.9 | 109.3 | 0 | 0 | 0 | 118.2 | ||||
| 232 | K | 37.3 | Very low | 43.5 | Very low | 168 Ų | 168 | 131 Ų | 131 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | 60 | 93.8 | 152.5 | -60.5 | -174.6 | -179.7 | -177.1 | 0 | 118.1 | Q234 | K232-Q234 PolarHBondContact O-N 2.78Š| ||
| 233 | L | 32.9 | Very low | 45 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | -58.8 | 117.2 | 154.3 | -76.1 | 71.6 | 0 | 0 | 0 | 109.7 | ||||
| 234 | Q | 54.1 | Low | 46.4 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -161.2 | -35.2 | 151.1 | -111.4 | 155.2 | -5.4 | 0 | 0 | 113.3 | K232 | K232-Q234 PolarHBondContact O-N 2.78Š|
| 235 | P | 50 | Low | 47.9 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.2 | -30.3 | 174.2 | -19.4 | 33.2 | 0 | 0 | 0 | 114.4 | V237 A238 L239 | P235-V237 VanDerWaalsContact C-N 3.31Å; P235-V237 PolarHBondContact O-N 2.96Å; P235-A238 PolarHBondContact O-N 2.62Å; P235-L239 PolarHBondContact O-N 3.13Å; P235-L239 VanDerWaalsContact O-N 3.16Å |
| 236 | L | 50.8 | Low | 48.9 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.8 | -28.6 | -170 | -80.6 | 167 | 0 | 0 | 0 | 114.4 | L239 L240 | L236-L239 PolarHBondContact O-N 2.81Å; L236-L240 WeakPolarHBondContact O-CB 3.17Å; L236-L240 PolarHBondContact O-N 2.87Å |
| 237 | V | 56.8 | Low | 50 | Low | 89 Ų | 89 | 127 Ų | 127 | 54% | 0.539 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.1 | -39.9 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | P235 L240 L241 | P235-V237 VanDerWaalsContact C-N 3.31Å; P235-V237 PolarHBondContact O-N 2.96Å; V237-L240 PolarHBondContact O-N 3.36Å; V237-L241 HydrophobicContact CG1-CD1 4.17Å; V237-L241 WeakPolarHBondContact O-CB 3.25Å; V237-L241 WeakPolarHBondContact O-CG 3.23Å; V237-L241 PolarHBondContact O-N 3.27Å |
| 238 | A | 57.3 | Low | 50.9 | Low | 58 Ų | 58 | 126 Ų | 126 | 48% | 0.479 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P235 L241 C242 | P235-A238 PolarHBondContact O-N 2.62Å; A238-L241 PolarHBondContact O-N 2.94Å; A238-C242 WeakPolarHBondContact O-CB 3.32Å; A238-C242 PolarHBondContact O-N 2.84Å; A238-C242 PolarHBondContact O-SG 3.1Å |
| 239 | L | 58.7 | Low | 51.6 | Low | 112 Ų | 112 | 125.1 Ų | 125.1 | 59% | 0.586 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63 | -41.5 | 174 | -105.3 | 164.9 | 0 | 0 | 0 | 112.7 | P235 L236 C242 F243 | P235-L239 PolarHBondContact O-N 3.13Å; P235-L239 VanDerWaalsContact O-N 3.16Å; L236-L239 PolarHBondContact O-N 2.81Å; L239-C242 PolarHBondContact O-N 3.45Å; L239-F243 WeakPolarHBondContact O-CB 3.38Å; L239-F243 PolarHBondContact O-N 3.22Å |
| 240 | L | 63 | Low | 51.9 | Low | 115 Ų | 115 | 123.9 Ų | 123.9 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.8 | -41.4 | 174.1 | -101.3 | 158.1 | 0 | 0 | 0 | 112.6 | L236 V237 F243 L244 | L236-L240 WeakPolarHBondContact O-CB 3.17Å; L236-L240 PolarHBondContact O-N 2.87Å; V237-L240 PolarHBondContact O-N 3.36Å; L240-F243 PolarHBondContact O-N 3.03Å; L240-L244 WeakPolarHBondContact O-CB 3.32Å; L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 3.39Å |
| 241 | L | 66.6 | Low | 52 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.9 | -39.9 | 175.2 | -72.9 | 169.6 | 0 | 0 | 0 | 111.8 | V237 A238 F243 L244 M245 | V237-L241 HydrophobicContact CG1-CD1 4.17Å; V237-L241 WeakPolarHBondContact O-CB 3.25Å; V237-L241 WeakPolarHBondContact O-CG 3.23Å; V237-L241 PolarHBondContact O-N 3.27Å; A238-L241 PolarHBondContact O-N 2.94Å; L241-F243 VanDerWaalsContact C-N 3.35Å; L241-L244 PolarHBondContact O-N 2.84Å; L241-M245 WeakPolarHBondContact O-CB 3.32Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 2.83Å |
| 242 | C | 65.2 | Low | 52.1 | Low | 75 Ų | 75 | 117 Ų | 117 | 51% | 0.507 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.2 | -37.7 | 171.4 | -70.9 | 0 | 0 | 0 | 0 | 112 | A238 L239 W246 | A238-C242 WeakPolarHBondContact O-CB 3.32Å; A238-C242 PolarHBondContact O-N 2.84Å; A238-C242 PolarHBondContact O-SG 3.1Å; L239-C242 PolarHBondContact O-N 3.45Å; C242-W246 WeakPolarHBondContact O-CB 3.19Å; C242-W246 PolarHBondContact O-N 3.34Å |
| 243 | F | 64.6 | Low | 52.1 | Low | 114 Ų | 114 | 117.9 Ų | 117.9 | 50% | 0.5 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.9 | -30.6 | 176.5 | -146.5 | -86.1 | 0 | 0 | 0 | 112.5 | L239 L240 L241 W246 R247 | L239-F243 WeakPolarHBondContact O-CB 3.38Å; L239-F243 PolarHBondContact O-N 3.22Å; L240-F243 PolarHBondContact O-N 3.03Å; L241-F243 VanDerWaalsContact C-N 3.35Å; F243-W246 HydrophobicContact CD2-CE3 4.37Å; F243-W246 HydrophobicContact CE1-CE3 4.36Å; F243-W246 HydrophobicContact CE1-CZ3 4.39Å; F243-W246 HydrophobicContact CE2-CE3 4.09Å; F243-W246 HydrophobicContact CE2-CZ3 4.03Å; F243-W246 HydrophobicContact CZ-CE3 4.09Å; F243-W246 AromaticContact CZ-CZ3 3.84Å; F243-W246 HydrophobicContact CZ-CZ3 3.84Å; F243-R247 WeakPolarHBondContact O-CB 3.4Å; F243-R247 PolarHBondContact O-N 2.9Å |
| 244 | L | 60.7 | Low | 53 | Low | 87 Ų | 87 | 118 Ų | 118 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.7 | -48.2 | 170.9 | -82.7 | 161.7 | 0 | 0 | 0 | 111.7 | L240 L241 W246 R247 I248 | L240-L244 WeakPolarHBondContact O-CB 3.32Å; L240-L244 WeakPolarHBondContact O-CG 3.48Å; L240-L244 PolarHBondContact O-N 3.39Å; L241-L244 PolarHBondContact O-N 2.84Å; L244-W246 VanDerWaalsContact C-N 3.31Å; L244-W246 PolarHBondContact O-N 3.48Å; L244-R247 WeakPolarHBondContact O-CB 3.44Å; L244-R247 PolarHBondContact O-N 2.76Å; L244-R247 VanDerWaalsContact O-N 3.16Å; L244-I248 WeakPolarHBondContact O-CD1 3.41Å; L244-I248 VanDerWaalsContact O-CG1 3.28Å; L244-I248 WeakPolarHBondContact O-CG1 3.28Å; L244-I248 PolarHBondContact O-N 3.36Å |
| 245 | M | 59.1 | Low | 53.5 | Low | 126 Ų | 126 | 117.3 Ų | 117.3 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.6 | -35.7 | 174.8 | -70.8 | -161 | -66.5 | 0 | 0 | 111.8 | L241 I248 S249 | L241-M245 WeakPolarHBondContact O-CB 3.32Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 2.83Å; M245-I248 PolarHBondContact O-N 2.94Å; M245-S249 VanDerWaalsContact O-CB 3.25Å; M245-S249 WeakPolarHBondContact O-CB 3.18Å; M245-S249 PolarHBondContact O-N 2.61Å |
| 246 | W | 51.6 | Low | 54.9 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 59% | 0.591 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.5 | -44.4 | 170.3 | -172.9 | 54 | 0 | 0 | 0 | 111.3 | C242 F243 L244 I248 S249 S250 | C242-W246 WeakPolarHBondContact O-CB 3.19Å; C242-W246 PolarHBondContact O-N 3.34Å; F243-W246 HydrophobicContact CD2-CE3 4.37Å; F243-W246 HydrophobicContact CE1-CE3 4.36Å; F243-W246 HydrophobicContact CE1-CZ3 4.39Å; F243-W246 HydrophobicContact CE2-CE3 4.09Å; F243-W246 HydrophobicContact CE2-CZ3 4.03Å; F243-W246 HydrophobicContact CZ-CE3 4.09Å; F243-W246 AromaticContact CZ-CZ3 3.84Å; F243-W246 HydrophobicContact CZ-CZ3 3.84Å; L244-W246 VanDerWaalsContact C-N 3.31Å; L244-W246 PolarHBondContact O-N 3.48Å; W246-I248 VanDerWaalsContact C-N 3.26Å; W246-I248 PolarHBondContact O-N 2.79Å; W246-S249 PolarHBondContact O-N 3.02Å; W246-S250 VanDerWaalsContact O-CB 3.23Å; W246-S250 WeakPolarHBondContact O-CB 3.31Å; W246-S250 PolarHBondContact O-N 2.87Å; W246-S250 PolarHBondContact O-OG 3.21Å |
| 247 | R | 50.7 | Low | 56.7 | Low | 177 Ų | 177 | 115 Ų | 115 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.1 | -28.4 | 172.8 | -98 | -171.7 | 171.6 | -172.5 | 0.9 | 114.7 | F243 L244 | F243-R247 WeakPolarHBondContact O-CB 3.4Å; F243-R247 PolarHBondContact O-N 2.9Å; L244-R247 WeakPolarHBondContact O-CB 3.44Å; L244-R247 PolarHBondContact O-N 2.76Å; L244-R247 VanDerWaalsContact O-N 3.16Å |
| 248 | I | 55.4 | Low | 58.2 | Low | 140 Ų | 140 | 113.9 Ų | 113.9 | 72% | 0.718 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -84 | -32.4 | 178.4 | -68.3 | 163.1 | 0 | 0 | 0 | 110.8 | L244 M245 W246 | L244-I248 WeakPolarHBondContact O-CD1 3.41Å; L244-I248 VanDerWaalsContact O-CG1 3.28Å; L244-I248 WeakPolarHBondContact O-CG1 3.28Å; L244-I248 PolarHBondContact O-N 3.36Å; M245-I248 PolarHBondContact O-N 2.94Å; W246-I248 VanDerWaalsContact C-N 3.26Å; W246-I248 PolarHBondContact O-N 2.79Å |
| 249 | S | 46.9 | Very low | 59.6 | Low | 105 Ų | 105 | 112.9 Ų | 112.9 | 73% | 0.734 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -87.1 | -31 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | M245 W246 G251 | M245-S249 VanDerWaalsContact O-CB 3.25Å; M245-S249 WeakPolarHBondContact O-CB 3.18Å; M245-S249 PolarHBondContact O-N 2.61Å; W246-S249 PolarHBondContact O-N 3.02Å; S249-G251 PolarHBondContact O-N 2.77Å; S249-G251 VanDerWaalsContact O-N 3.11Å |
| 250 | S | 41.4 | Very low | 61.1 | Low | 51 Ų | 51 | 113.5 Ų | 113.5 | 36% | 0.357 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -76.5 | 93.1 | 169.2 | 73.1 | 0 | 0 | 0 | 0 | 108.8 | W246 R252 | W246-S250 VanDerWaalsContact O-CB 3.23Å; W246-S250 WeakPolarHBondContact O-CB 3.31Å; W246-S250 PolarHBondContact O-N 2.87Å; W246-S250 PolarHBondContact O-OG 3.21Å; S250-R252 PolarHBondContact O-N 3.39Å |
| 251 | G | 33.8 | Very low | 62.6 | Low | 69 Ų | 69 | 109.2 Ų | 109.2 | 71% | 0.711 | 55% | 0.545 | S | S | * | . | trans | -50.1 | 116 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | S249 E253 | S249-G251 PolarHBondContact O-N 2.77Å; S249-G251 VanDerWaalsContact O-N 3.11Å; G251-E253 PolarHBondContact O-N 3.24Å | ||
| 252 | R | 36.5 | Very low | 63.8 | Low | 197 Ų | 197 | 104.6 Ų | 104.6 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | trans | -69.4 | 92.3 | -175.9 | -167.4 | -167.4 | -149 | -161.2 | 13 | 109.2 | S250 Q254 E381 | S250-R252 PolarHBondContact O-N 3.39Å; R252-Q254 PolarHBondContact O-N 2.9Å; R252-Q254 VanDerWaalsContact O-N 3.1Å; R252-E381 IonicContact CZ-OE1 3.74Å; R252-E381 IonicContact NH1-OE1 3.33Å; R252-E381 PolarHBondContact NH1-OE1 3.25Å | ||
| 253 | E | 39 | Very low | 65.2 | Low | 186 Ų | 186 | 104.7 Ų | 104.7 | 87% | 0.869 | 51% | 0.513 | S | S | * | . | trans | -51.6 | 120.6 | 175.8 | -75.4 | -163.1 | 120.2 | 0 | 0 | 109.9 | G251 Q255 | G251-E253 PolarHBondContact O-N 3.24Å; E253-Q255 PolarHBondContact O-N 3.12Å | ||
| 254 | Q | 51.3 | Low | 66.6 | Low | 149 Ų | 149 | 105.1 Ų | 105.1 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | trans | -65.8 | 103 | 179.1 | -72.5 | -168.5 | -51.9 | 0 | 0 | 109.3 | R252 Q256 E381 | R252-Q254 PolarHBondContact O-N 2.9Å; R252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Q256 PolarHBondContact O-N 2.56Å; Q254-E381 PolarHBondContact NE2-OE2 3.18Å | ||
| 255 | Q | 63.7 | Low | 68.3 | Low | 156 Ų | 156 | 101.5 Ų | 101.5 | 73% | 0.729 | 50% | 0.496 | S | S | * | . | trans | -67.8 | 90.7 | -175.5 | -171.8 | 175.6 | 55.6 | 0 | 0 | 110.6 | E253 A257 F380 | E253-Q255 PolarHBondContact O-N 3.12Å; Q255-A257 PolarHBondContact O-N 3.17Å; Q255-F380 VanDerWaalsContact O-CD1 3.26Å; Q255-F380 WeakPolarHBondContact O-CD1 3.43Å | ||
| 256 | Q | 80.7 | Confident | 70 | Confident | 156 Ų | 156 | 95.5 Ų | 95.5 | 73% | 0.729 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 129.6 | -178.5 | -61.4 | -175.3 | 14.6 | 0 | 0 | 111 | Q254 T258 | Q254-Q256 PolarHBondContact O-N 2.56Å; Q256-T258 PolarHBondContact O-N 3.27Å |
| 257 | A | 87 | Confident | 72.1 | Confident | 1 Ų | 1 | 91.9 Ų | 91.9 | 1% | 0.008 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 130.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | Q255 D261 F376 F380 L495 R496 | Q255-A257 PolarHBondContact O-N 3.17Å; A257-D261 HydrophobicContact CB-CB 4.44Å; A257-F376 HydrophobicContact CB-CZ 4.16Å; A257-F380 HydrophobicContact CB-CD1 3.82Å; A257-F380 HydrophobicContact CB-CD2 3.64Å; A257-F380 HydrophobicContact CB-CE1 3.73Å; A257-F380 HydrophobicContact CB-CE2 3.55Å; A257-F380 HydrophobicContact CB-CG 3.78Å; A257-F380 HydrophobicContact CB-CZ 3.58Å; A257-L495 HydrophobicContact CB-CD1 3.55Å; A257-L495 HydrophobicContact CB-CD2 3.73Å; A257-L495 HydrophobicContact CB-CG 4.3Å; A257-R496 PolarHBondContact O-NH1 3.46Å; A257-R496 PolarHBondContact O-NH2 2.77Å |
| 258 | T | 89.8 | Confident | 74.2 | Confident | 66 Ų | 66 | 87.5 Ų | 87.5 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 164.4 | -176 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | Q256 H260 D261 I262 | Q256-T258 PolarHBondContact O-N 3.27Å; T258-H260 PolarHBondContact O-N 2.6Å; T258-H260 VanDerWaalsContact O-N 3.15Å; T258-H260 WeakPolarHBondContact OG1-CB 3.36Å; T258-H260 PolarHBondContact OG1-N 3.26Å; T258-H260 VanDerWaalsContact OG1-N 3.14Å; T258-D261 WeakPolarHBondContact CB-OD2 3.45Å; T258-D261 PolarHBondContact N-OD2 3.39Å; T258-D261 VanDerWaalsContact N-OD2 3.09Å; T258-D261 PolarHBondContact O-N 2.57Å; T258-D261 PolarHBondContact OG1-N 3.13Å; T258-D261 PolarHBondContact OG1-OD2 2.91Å; T258-I262 WeakPolarHBondContact O-CG1 3.37Å; T258-I262 PolarHBondContact O-N 3.04Å; T258-I262 VanDerWaalsContact O-N 3.11Å |
| 259 | D | 86.9 | Confident | 76.3 | Confident | 37 Ų | 37 | 80.8 Ų | 80.8 | 20% | 0.198 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.2 | -12.8 | 168.5 | -74.5 | 16.9 | 0 | 0 | 0 | 112.2 | K263 R496 K503 | D259-K263 WeakPolarHBondContact O-CD 3.43Å; D259-K263 VanDerWaalsContact O-CG 3.27Å; D259-K263 WeakPolarHBondContact O-CG 3.17Å; D259-R496 IonicContact OD1-CZ 2.69Å; D259-R496 IonicContact OD1-NE 3.98Å; D259-R496 PolarHBondContact OD1-NE 3.06Å; D259-R496 IonicContact OD1-NH2 2.66Å; D259-R496 PolarHBondContact OD1-NH2 3.34Å; D259-K503 IonicContact OD2-NZ 2.76Å; D259-K503 PolarHBondContact OD2-NZ 2.79Å |
| 260 | H | 90.3 | Very high | 78.5 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -82.2 | -45.3 | 170.4 | 177 | 92.6 | 0 | 0 | 0 | 111.5 | T258 I262 K263 K264 | T258-H260 PolarHBondContact O-N 2.6Å; T258-H260 VanDerWaalsContact O-N 3.15Å; T258-H260 WeakPolarHBondContact OG1-CB 3.36Å; T258-H260 PolarHBondContact OG1-N 3.26Å; T258-H260 VanDerWaalsContact OG1-N 3.14Å; H260-I262 VanDerWaalsContact C-N 3.28Å; H260-I262 PolarHBondContact O-N 2.97Å; H260-K263 PolarHBondContact O-N 2.8Å; H260-K264 WeakPolarHBondContact O-CB 3.35Å; H260-K264 PolarHBondContact O-N 2.73Å |
| 261 | D | 93.4 | Very high | 81 | Confident | 24 Ų | 24 | 84.1 Ų | 84.1 | 13% | 0.128 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 175.2 | -66.5 | -82.4 | 0 | 0 | 0 | 111.3 | A257 T258 K264 V265 F376 R379 F380 | A257-D261 HydrophobicContact CB-CB 4.44Å; T258-D261 WeakPolarHBondContact CB-OD2 3.45Å; T258-D261 PolarHBondContact N-OD2 3.39Å; T258-D261 VanDerWaalsContact N-OD2 3.09Å; T258-D261 PolarHBondContact O-N 2.57Å; T258-D261 PolarHBondContact OG1-N 3.13Å; T258-D261 PolarHBondContact OG1-OD2 2.91Å; D261-K264 PolarHBondContact O-N 3.16Å; D261-V265 WeakPolarHBondContact O-CG1 3.34Å; D261-V265 PolarHBondContact O-N 3.18Å; D261-F376 HydrophobicContact CB-CE2 4.09Å; D261-F376 HydrophobicContact CB-CZ 4.48Å; D261-R379 IonicContact OD1-CZ 2.6Å; D261-R379 IonicContact OD1-NH1 2.71Å; D261-R379 PolarHBondContact OD1-NH1 2.68Å; D261-R379 IonicContact OD1-NH2 2.73Å; D261-R379 PolarHBondContact OD1-NH2 3.17Å; D261-R379 VanDerWaalsContact OD1-NH2 3.09Å; D261-F380 HydrophobicContact CB-CE2 4.19Å; D261-F380 HydrophobicContact CB-CZ 4.02Å |
| 262 | I | 93.2 | Very high | 84 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 176.3 | -66.1 | 170.1 | 0 | 0 | 0 | 111 | T258 H260 V265 V266 F376 I491 L495 R496 L504 | T258-I262 WeakPolarHBondContact O-CG1 3.37Å; T258-I262 PolarHBondContact O-N 3.04Å; T258-I262 VanDerWaalsContact O-N 3.11Å; H260-I262 VanDerWaalsContact C-N 3.28Å; H260-I262 PolarHBondContact O-N 2.97Å; I262-V265 WeakPolarHBondContact O-CG1 3.15Å; I262-V266 WeakPolarHBondContact O-CB 3.26Å; I262-V266 VanDerWaalsContact O-CG2 3.23Å; I262-V266 WeakPolarHBondContact O-CG2 3.5Å; I262-V266 PolarHBondContact O-N 3.02Å; I262-V266 VanDerWaalsContact O-N 3.09Å; I262-F376 HydrophobicContact CG1-CZ 4.38Å; I262-I491 HydrophobicContact CG1-CG2 4.24Å; I262-I491 HydrophobicContact CG2-CG2 4.32Å; I262-L495 HydrophobicContact CD1-CB 4.39Å; I262-L495 HydrophobicContact CD1-CD1 4.03Å; I262-L495 HydrophobicContact CG1-CD1 3.95Å; I262-R496 HydrophobicContact CD1-CG 3.93Å; I262-L504 HydrophobicContact CG2-CB 4.39Å |
| 263 | K | 93.6 | Very high | 86.8 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 176.3 | -72.5 | 166.9 | -173.2 | 177.6 | 0 | 111.4 | D259 H260 V265 V266 E267 | D259-K263 WeakPolarHBondContact O-CD 3.43Å; D259-K263 VanDerWaalsContact O-CG 3.27Å; D259-K263 WeakPolarHBondContact O-CG 3.17Å; H260-K263 PolarHBondContact O-N 2.8Å; K263-V265 PolarHBondContact O-N 3.02Å; K263-V266 PolarHBondContact O-N 3.24Å; K263-E267 WeakPolarHBondContact O-CG 3.47Å; K263-E267 PolarHBondContact O-N 3Å |
| 264 | K | 93.8 | Very high | 89.4 | Confident | 124 Ų | 124 | 68.9 Ų | 68.9 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | -176.4 | -169.5 | 172.4 | -176.2 | 174.4 | 0 | 112.2 | H260 D261 L268 | H260-K264 WeakPolarHBondContact O-CB 3.35Å; H260-K264 PolarHBondContact O-N 2.73Å; D261-K264 PolarHBondContact O-N 3.16Å; K264-L268 VanDerWaalsContact O-CG 3.3Å; K264-L268 WeakPolarHBondContact O-CG 3.35Å; K264-L268 PolarHBondContact O-N 2.82Å; K264-L268 VanDerWaalsContact O-N 3.14Å |
| 265 | V | 95.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.7 | -38 | 176.1 | 73 | 0 | 0 | 0 | 0 | 112.2 | D261 I262 K263 L268 M269 F376 I491 | D261-V265 WeakPolarHBondContact O-CG1 3.34Å; D261-V265 PolarHBondContact O-N 3.18Å; I262-V265 WeakPolarHBondContact O-CG1 3.15Å; K263-V265 PolarHBondContact O-N 3.02Å; V265-L268 PolarHBondContact O-N 2.71Å; V265-M269 HydrophobicContact CG2-CE 3.99Å; V265-M269 HydrophobicContact CG2-CG 4.47Å; V265-M269 HydrophobicContact CG2-SD 4.35Å; V265-M269 WeakPolarHBondContact O-CB 3.44Å; V265-M269 VanDerWaalsContact O-CG 3.3Å; V265-M269 WeakPolarHBondContact O-CG 3.49Å; V265-M269 PolarHBondContact O-N 2.75Å; V265-F376 HydrophobicContact CB-CD2 3.58Å; V265-F376 HydrophobicContact CB-CE2 3.81Å; V265-F376 HydrophobicContact CB-CG 4.29Å; V265-F376 HydrophobicContact CG1-CD2 3.61Å; V265-F376 HydrophobicContact CG1-CE1 4.43Å; V265-F376 HydrophobicContact CG1-CE2 3.46Å; V265-F376 VanDerWaalsContact CG1-CE2 3.46Å; V265-F376 HydrophobicContact CG1-CG 4.15Å; V265-F376 HydrophobicContact CG1-CZ 3.92Å; V265-F376 HydrophobicContact CG2-CB 4.01Å; V265-F376 HydrophobicContact CG2-CD2 3.71Å; V265-F376 HydrophobicContact CG2-CE2 4.42Å; V265-F376 HydrophobicContact CG2-CG 4Å; V265-I491 HydrophobicContact CG1-CD1 3.73Å; V265-I491 HydrophobicContact CG2-CD1 4.5Å |
| 266 | V | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | I262 K263 M269 Q270 F484 V488 L504 | I262-V266 WeakPolarHBondContact O-CB 3.26Å; I262-V266 VanDerWaalsContact O-CG2 3.23Å; I262-V266 WeakPolarHBondContact O-CG2 3.5Å; I262-V266 PolarHBondContact O-N 3.02Å; I262-V266 VanDerWaalsContact O-N 3.09Å; K263-V266 PolarHBondContact O-N 3.24Å; V266-M269 PolarHBondContact O-N 3.39Å; V266-Q270 WeakPolarHBondContact O-CB 3.44Å; V266-Q270 PolarHBondContact O-N 3.04Å; V266-F484 HydrophobicContact CG1-CE2 4.27Å; V266-F484 HydrophobicContact CG1-CZ 3.93Å; V266-V488 HydrophobicContact CG1-CG2 4.09Å; V266-V488 HydrophobicContact CG2-CG2 4.15Å; V266-L504 HydrophobicContact CG1-CB 4.43Å; V266-L504 HydrophobicContact CG1-CD1 4.25Å; V266-L504 HydrophobicContact CG2-CB 4.43Å; V266-L504 HydrophobicContact CG2-CD2 4.48Å |
| 267 | E | 94.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 49.9 Ų | 49.9 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 171.4 | -74.1 | 174 | -159.6 | 0 | 0 | 112.5 | K263 Q270 K271 | K263-E267 WeakPolarHBondContact O-CG 3.47Å; K263-E267 PolarHBondContact O-N 3Å; E267-Q270 PolarHBondContact O-N 3.41Å; E267-K271 WeakPolarHBondContact O-CG 3.4Å; E267-K271 PolarHBondContact O-N 2.88Å; E267-K271 VanDerWaalsContact O-N 3.12Å |
| 268 | L | 96.1 | Very high | 93 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 172.5 | -71.5 | 169.5 | 0 | 0 | 0 | 111.6 | K264 V265 K271 A272 L372 | K264-L268 VanDerWaalsContact O-CG 3.3Å; K264-L268 WeakPolarHBondContact O-CG 3.35Å; K264-L268 PolarHBondContact O-N 2.82Å; K264-L268 VanDerWaalsContact O-N 3.14Å; V265-L268 PolarHBondContact O-N 2.71Å; L268-K271 PolarHBondContact O-N 3.05Å; L268-A272 VanDerWaalsContact O-CB 3.29Å; L268-A272 WeakPolarHBondContact O-CB 3.49Å; L268-A272 PolarHBondContact O-N 3.47Å; L268-L372 HydrophobicContact CB-CD1 4Å; L268-L372 HydrophobicContact CB-CD2 4.48Å |
| 269 | M | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.5 | -74.2 | 173.3 | 168.3 | 0 | 0 | 111.7 | V265 V266 K271 A272 D273 V369 L372 L373 F484 A487 I491 | V265-M269 HydrophobicContact CG2-CE 3.99Å; V265-M269 HydrophobicContact CG2-CG 4.47Å; V265-M269 HydrophobicContact CG2-SD 4.35Å; V265-M269 WeakPolarHBondContact O-CB 3.44Å; V265-M269 VanDerWaalsContact O-CG 3.3Å; V265-M269 WeakPolarHBondContact O-CG 3.49Å; V265-M269 PolarHBondContact O-N 2.75Å; V266-M269 PolarHBondContact O-N 3.39Å; M269-K271 VanDerWaalsContact C-N 3.33Å; M269-K271 PolarHBondContact O-N 3.15Å; M269-A272 CarbonylContact O-C 3.23Å; M269-A272 PolarHBondContact O-N 3.05Å; M269-A272 VanDerWaalsContact O-N 3.1Å; M269-D273 PolarHBondContact O-N 3.37Å; M269-V369 HydrophobicContact CB-CG1 4.29Å; M269-V369 HydrophobicContact CG-CG1 4.18Å; M269-L372 HydrophobicContact CE-CB 4.02Å; M269-L372 HydrophobicContact CG-CB 4.03Å; M269-L372 HydrophobicContact CG-CD1 4.05Å; M269-L373 VanDerWaalsContact CE-CA 3.48Å; M269-L373 HydrophobicContact CE-CB 3.68Å; M269-L373 HydrophobicContact CE-CD1 4.24Å; M269-L373 VanDerWaalsContact CE-N 3.31Å; M269-F484 HydrophobicContact CB-CD2 4.09Å; M269-F484 HydrophobicContact CB-CE2 3.99Å; M269-A487 HydrophobicContact CE-CB 3.88Å; M269-A487 HydrophobicContact SD-CB 3.9Å; M269-I491 HydrophobicContact CE-CD1 3.67Å; M269-I491 HydrophobicContact SD-CD1 3.96Å |
| 270 | Q | 95 | Very high | 91.4 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.2 | 180 | -171.7 | -45.2 | 0 | 0 | 111.6 | V266 E267 A272 D273 F484 Y506 | V266-Q270 WeakPolarHBondContact O-CB 3.44Å; V266-Q270 PolarHBondContact O-N 3.04Å; E267-Q270 PolarHBondContact O-N 3.41Å; Q270-A272 VanDerWaalsContact C-N 3.28Å; Q270-A272 PolarHBondContact O-N 3.5Å; Q270-D273 PolarHBondContact O-N 2.68Å; Q270-F484 HydrophobicContact CB-CE2 4.14Å; Q270-Y506 HydrophobicContact CB-CD2 4.18Å; Q270-Y506 HydrophobicContact CB-CE2 4.2Å; Q270-Y506 HydrophobicContact CG-CD2 3.95Å; Q270-Y506 HydrophobicContact CG-CE2 3.78Å; Q270-Y506 VanDerWaalsContact OE1-CD2 3.28Å |
| 271 | K | 93.5 | Very high | 91.1 | Very high | 165 Ų | 165 | 55.5 Ų | 55.5 | 72% | 0.717 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.3 | -24.8 | 175.3 | -69.9 | 173.1 | -178.1 | 178.4 | 0 | 112.7 | E267 L268 M269 | E267-K271 WeakPolarHBondContact O-CG 3.4Å; E267-K271 PolarHBondContact O-N 2.88Å; E267-K271 VanDerWaalsContact O-N 3.12Å; L268-K271 PolarHBondContact O-N 3.05Å; M269-K271 VanDerWaalsContact C-N 3.33Å; M269-K271 PolarHBondContact O-N 3.15Å |
| 272 | A | 95.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -88.4 | -11.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L268 M269 Q270 V274 K368 V369 L372 | L268-A272 VanDerWaalsContact O-CB 3.29Å; L268-A272 WeakPolarHBondContact O-CB 3.49Å; L268-A272 PolarHBondContact O-N 3.47Å; M269-A272 CarbonylContact O-C 3.23Å; M269-A272 PolarHBondContact O-N 3.05Å; M269-A272 VanDerWaalsContact O-N 3.1Å; Q270-A272 VanDerWaalsContact C-N 3.28Å; Q270-A272 PolarHBondContact O-N 3.5Å; A272-V274 VanDerWaalsContact C-N 3.27Å; A272-V274 PolarHBondContact O-N 2.97Å; A272-K368 HydrophobicContact CB-CB 3.83Å; A272-V369 HydrophobicContact CB-CG2 4.18Å; A272-L372 HydrophobicContact CB-CD1 3.81Å |
| 273 | D | 95.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.059 | 31% | 0.312 | C | S | . | . | trans | -77.8 | 68.7 | -177.2 | -171.6 | 14.2 | 0 | 0 | 0 | 112.4 | M269 Q270 N275 A276 V369 S481 F484 | M269-D273 PolarHBondContact O-N 3.37Å; Q270-D273 PolarHBondContact O-N 2.68Å; D273-N275 PolarHBondContact O-N 2.82Å; D273-N275 VanDerWaalsContact O-N 3.13Å; D273-N275 PolarHBondContact OD1-N 3.46Å; D273-A276 HydrophobicContact CB-CB 4.36Å; D273-A276 WeakPolarHBondContact O-CB 3.42Å; D273-A276 PolarHBondContact O-N 2.92Å; D273-A276 PolarHBondContact OD1-N 3.08Å; D273-V369 HydrophobicContact CB-CG2 4.07Å; D273-S481 WeakPolarHBondContact OD1-CB 2.98Å; D273-S481 PolarHBondContact OD1-OG 2.66Å; D273-S481 PolarHBondContact OD2-N 3.42Å; D273-S481 VanDerWaalsContact OD2-N 3.12Å; D273-S481 PolarHBondContact OD2-OG 2.68Å; D273-F484 HydrophobicContact CB-CD2 4.44Å; D273-F484 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 274 | V | 93 | Very high | 89.9 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 65% | 0.648 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.2 | 173 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | A272 K326 | A272-V274 VanDerWaalsContact C-N 3.27Å; A272-V274 PolarHBondContact O-N 2.97Å; V274-K326 PolarHBondContact O-NZ 2.69Å |
| 275 | N | 94.7 | Very high | 89.3 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4 | 176.8 | -68.6 | -39.4 | 0 | 0 | 0 | 113.5 | D273 Y323 K326 T328 E483 | D273-N275 PolarHBondContact O-N 2.82Å; D273-N275 VanDerWaalsContact O-N 3.13Å; D273-N275 PolarHBondContact OD1-N 3.46Å; N275-Y323 WeakPolarHBondContact O-CE2 3.47Å; N275-Y323 PolarHBondContact O-OH 2.98Å; N275-Y323 VanDerWaalsContact O-OH 3.13Å; N275-K326 HydrophobicContact CB-CD 4.36Å; N275-T328 PolarHBondContact ND2-OG1 2.85Å; N275-E483 VanDerWaalsContact CB-OE1 3.25Å; N275-E483 WeakPolarHBondContact CB-OE1 3.25Å; N275-E483 PolarHBondContact ND2-OE1 3.37Å |
| 276 | A | 93.9 | Very high | 88.5 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -57.4 | 157.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D273 K326 G479 | D273-A276 HydrophobicContact CB-CB 4.36Å; D273-A276 WeakPolarHBondContact O-CB 3.42Å; D273-A276 PolarHBondContact O-N 2.92Å; D273-A276 PolarHBondContact OD1-N 3.08Å; A276-K326 PolarHBondContact O-NZ 3.02Å; A276-G479 WeakPolarHBondContact CA-O 3.2Å; A276-G479 WeakPolarHBondContact CB-O 3.31Å |
| 277 | A | 90.2 | Very high | 87.5 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 13% | 0.132 | 30% | 0.303 | C | S | . | . | trans | -87.8 | 128.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D281 T282 Y323 W434 G479 | A277-D281 HydrophobicContact CB-CB 3.9Å; A277-T282 HydrophobicContact CB-CG2 3.85Å; A277-Y323 HydrophobicContact CB-CD2 3.86Å; A277-Y323 HydrophobicContact CB-CE2 3.6Å; A277-W434 HydrophobicContact CB-CH2 3.93Å; A277-W434 HydrophobicContact CB-CZ2 3.88Å; A277-G479 PolarHBondContact N-O 2.63Å | ||
| 278 | G | 80.2 | Confident | 86.5 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | trans | -80.3 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N280 D281 | G278-N280 PolarHBondContact O-N 3.35Å; G278-D281 PolarHBondContact N-OD2 3.04Å; G278-D281 VanDerWaalsContact N-OD2 3.09Å; G278-D281 WeakPolarHBondContact O-CB 3.19Å; G278-D281 PolarHBondContact O-N 2.84Å | ||
| 279 | L | 70.5 | Confident | 85.6 | Confident | 153 Ų | 153 | 52.9 Ų | 52.9 | 80% | 0.801 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.4 | 175.9 | -64.8 | 173.2 | 0 | 0 | 0 | 112.7 | ||
| 280 | N | 72.7 | Confident | 84.5 | Confident | 136 Ų | 136 | 56.6 Ų | 56.6 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4.1 | 177.6 | -66.1 | -12.1 | 0 | 0 | 0 | 113.3 | G278 | G278-N280 PolarHBondContact O-N 3.35Š|
| 281 | D | 83.6 | Confident | 83.3 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -33.1 | -179.2 | -76.5 | -39.5 | 0 | 0 | 0 | 113.6 | A277 G278 F318 V319 S320 S322 Y323 | A277-D281 HydrophobicContact CB-CB 3.9Å; G278-D281 PolarHBondContact N-OD2 3.04Å; G278-D281 VanDerWaalsContact N-OD2 3.09Å; G278-D281 WeakPolarHBondContact O-CB 3.19Å; G278-D281 PolarHBondContact O-N 2.84Å; D281-F318 VanDerWaalsContact C-CE2 3.43Å; D281-F318 WeakPolarHBondContact O-CE2 3.4Å; D281-V319 CarbonylContact O-C 3.46Å; D281-V319 WeakPolarHBondContact O-CA 3.49Å; D281-S320 PolarHBondContact O-N 3.1Å; D281-S320 PolarHBondContact OD1-OG 2.9Å; D281-S322 PolarHBondContact OD1-OG 3.37Å; D281-S322 VanDerWaalsContact OD1-OG 3.08Å; D281-Y323 HydrophobicContact CB-CD2 4Å; D281-Y323 HydrophobicContact CB-CG 4.16Å |
| 282 | T | 85.9 | Confident | 81.8 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 164.7 | -179.7 | -163.3 | 0 | 0 | 0 | 0 | 112.4 | A277 F284 F318 W434 | A277-T282 HydrophobicContact CB-CG2 3.85Å; T282-F284 HydrophobicContact CG2-CE2 3.6Å; T282-F284 HydrophobicContact CG2-CZ 3.6Å; T282-F318 WeakPolarHBondContact CA-O 3.45Å; T282-F318 WeakPolarHBondContact CB-O 3.27Å; T282-F318 PolarHBondContact OG1-O 3.46Å; T282-W434 HydrophobicContact CG2-CH2 3.83Å; T282-W434 HydrophobicContact CG2-CZ3 3.84Å |
| 283 | D | 82.8 | Confident | 80 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151.4 | 173.7 | 164 | 58.6 | 0 | 0 | 0 | 110.1 | S317 F318 | D283-S317 PolarHBondContact O-N 3.27Å; D283-S317 WeakPolarHBondContact OD2-CB 3.35Å; D283-S317 PolarHBondContact OD2-OG 3.48Å; D283-F318 HydrophobicContact CB-CD1 4.3Å; D283-F318 HydrophobicContact CB-CE1 3.8Å |
| 284 | F | 86.7 | Confident | 78.1 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 103.2 | -171.3 | -61.2 | -71.9 | 0 | 0 | 0 | 112.2 | T282 Y286 F315 V316 W434 L478 | T282-F284 HydrophobicContact CG2-CE2 3.6Å; T282-F284 HydrophobicContact CG2-CZ 3.6Å; F284-Y286 HydrophobicContact CB-CE1 4.47Å; F284-Y286 HydrophobicContact CB-CE2 4.34Å; F284-Y286 VanDerWaalsContact O-CD2 3.3Å; F284-Y286 WeakPolarHBondContact O-CD2 3.39Å; F284-Y286 VanDerWaalsContact O-CE2 3.22Å; F284-Y286 WeakPolarHBondContact O-CE2 3.39Å; F284-Y286 PolarHBondContact O-N 3.09Å; F284-F315 CarbonylContact C-O 3.56Å; F284-F315 WeakPolarHBondContact CA-O 3.49Å; F284-F315 HydrophobicContact CB-CE2 4.39Å; F284-F315 HydrophobicContact CB-CZ 4.32Å; F284-F315 AromaticContact CD1-CE1 3.96Å; F284-F315 HydrophobicContact CD1-CE1 3.96Å; F284-F315 HydrophobicContact CD1-CZ 4.05Å; F284-V316 HydrophobicContact CD1-CG2 4.25Å; F284-V316 HydrophobicContact CE1-CG2 4.07Å; F284-W434 HydrophobicContact CE1-CD2 4.31Å; F284-W434 AromaticContact CE1-CE3 3.75Å; F284-W434 HydrophobicContact CE1-CE3 3.75Å; F284-W434 HydrophobicContact CE1-CZ3 4.34Å; F284-W434 AromaticContact CZ-CD2 3.99Å; F284-W434 HydrophobicContact CZ-CD2 3.99Å; F284-W434 AromaticContact CZ-CE3 3.63Å; F284-W434 HydrophobicContact CZ-CE3 3.63Å; F284-W434 HydrophobicContact CZ-CZ3 4.01Å; F284-L478 HydrophobicContact CB-CD1 4.31Å; F284-L478 HydrophobicContact CD1-CD1 4.4Å; F284-L478 HydrophobicContact CD1-CD2 3.89Å; F284-L478 HydrophobicContact CD2-CB 4.16Å; F284-L478 HydrophobicContact CD2-CD1 3.98Å; F284-L478 HydrophobicContact CD2-CG 4.45Å; F284-L478 HydrophobicContact CE1-CD2 3.76Å; F284-L478 HydrophobicContact CE2-CB 3.79Å; F284-L478 HydrophobicContact CE2-CD1 4.42Å; F284-L478 HydrophobicContact CE2-CD2 4.39Å; F284-L478 HydrophobicContact CE2-CG 4.42Å; F284-L478 HydrophobicContact CG-CD1 3.97Å; F284-L478 HydrophobicContact CG-CD2 4.27Å; F284-L478 HydrophobicContact CZ-CB 4.05Å; F284-L478 HydrophobicContact CZ-CD2 4.02Å; F284-L478 HydrophobicContact CZ-CG 4.5Å |
| 285 | N | 81.3 | Confident | 76.5 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | trans | -91.3 | 92.7 | -178.7 | -176.6 | -2.8 | 0 | 0 | 0 | 111.4 | Q287 R314 F315 | N285-Q287 VanDerWaalsContact C-N 3.27Å; N285-Q287 PolarHBondContact O-N 2.74Å; N285-Q287 WeakPolarHBondContact OD1-CG 3.47Å; N285-Q287 PolarHBondContact OD1-N 2.86Å; N285-R314 WeakPolarHBondContact CB-O 3.49Å; N285-F315 PolarHBondContact N-O 2.68Å | ||
| 286 | Y | 78.6 | Confident | 74.8 | Confident | 25 Ų | 25 | 53 Ų | 53 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | trans | -64.1 | -22.9 | -177.9 | -54.1 | -80.3 | 0 | 0 | 0 | 115.1 | F284 Q288 F315 Y448 Y451 M455 S456 A460 L478 Y540 | F284-Y286 HydrophobicContact CB-CE1 4.47Å; F284-Y286 HydrophobicContact CB-CE2 4.34Å; F284-Y286 VanDerWaalsContact O-CD2 3.3Å; F284-Y286 WeakPolarHBondContact O-CD2 3.39Å; F284-Y286 VanDerWaalsContact O-CE2 3.22Å; F284-Y286 WeakPolarHBondContact O-CE2 3.39Å; F284-Y286 PolarHBondContact O-N 3.09Å; Y286-Q288 PolarHBondContact O-N 2.86Å; Y286-F315 AromaticContact CD1-CE2 3.75Å; Y286-F315 HydrophobicContact CD1-CE2 3.75Å; Y286-F315 HydrophobicContact CD1-CZ 4.5Å; Y286-F315 HydrophobicContact CE1-CE2 4.02Å; Y286-F315 HydrophobicContact CE1-CZ 4.36Å; Y286-F315 HydrophobicContact CG-CE2 4.5Å; Y286-Y448 WeakPolarHBondContact O-CE1 3.28Å; Y286-Y448 PolarHBondContact O-OH 3.48Å; Y286-Y451 WeakPolarHBondContact O-CD1 3.25Å; Y286-M455 HydrophobicContact CD1-CB 3.73Å; Y286-M455 HydrophobicContact CD1-CG 3.49Å; Y286-M455 VanDerWaalsContact CD1-CG 3.49Å; Y286-M455 HydrophobicContact CD1-SD 3.58Å; Y286-M455 VanDerWaalsContact CD1-SD 3.58Å; Y286-M455 HydrophobicContact CE1-CB 3.84Å; Y286-M455 HydrophobicContact CE1-CG 4.05Å; Y286-M455 HydrophobicContact CE1-SD 4.01Å; Y286-M455 HydrophobicContact CG-CB 4.37Å; Y286-M455 HydrophobicContact CG-CG 4.15Å; Y286-S456 PolarHBondContact OH-O 3.16Å; Y286-A460 HydrophobicContact CE1-CB 4.29Å; Y286-L478 HydrophobicContact CE1-CD1 4.05Å; Y286-L478 VanDerWaalsContact OH-CD1 3.26Å; Y286-L478 WeakPolarHBondContact OH-CD1 3.45Å; Y286-Y540 HydrophobicContact CD2-CD1 4.22Å; Y286-Y540 HydrophobicContact CD2-CE1 4.13Å | ||
| 287 | Q | 74.3 | Confident | 73.4 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | trans | 51 | -96 | -179.7 | -54.1 | 169 | 23.1 | 0 | 0 | 114.7 | N285 L296 N311 F313 R314 Y448 | N285-Q287 VanDerWaalsContact C-N 3.27Å; N285-Q287 PolarHBondContact O-N 2.74Å; N285-Q287 WeakPolarHBondContact OD1-CG 3.47Å; N285-Q287 PolarHBondContact OD1-N 2.86Å; Q287-L296 VanDerWaalsContact OE1-CD1 3.23Å; Q287-N311 PolarHBondContact OE1-ND2 3.13Å; Q287-F313 PolarHBondContact NE2-O 2.84Å; Q287-R314 PolarHBondContact NE2-O 2.96Å; Q287-Y448 HydrophobicContact CB-CE1 4.09Å; Q287-Y448 HydrophobicContact CG-CE1 4.22Å | ||
| 288 | Q | 73.6 | Confident | 72.1 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -141 | 157.3 | -165.4 | 54.2 | 155.4 | 99.6 | 0 | 0 | 112.5 | Y286 T292 S294 G450 Y451 | Y286-Q288 PolarHBondContact O-N 2.86Å; Q288-T292 PolarHBondContact NE2-O 2.94Å; Q288-T292 PolarHBondContact NE2-OG1 3.33Å; Q288-S294 PolarHBondContact OE1-OG 3.04Å; Q288-G450 CarbonylContact O-C 3.53Å; Q288-G450 WeakPolarHBondContact O-CA 3.5Å; Q288-Y451 WeakPolarHBondContact O-CD1 3.28Å; Q288-Y451 WeakPolarHBondContact O-CE1 3.25Å; Q288-Y451 PolarHBondContact O-N 3.08Å; Q288-Y451 VanDerWaalsContact O-N 3.1Å |
| 289 | L | 77.4 | Confident | 71.3 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -64 | 137.5 | 171.1 | -171.9 | 76 | 0 | 0 | 0 | 109.8 | T292 Y451 | L289-T292 HydrophobicContact CB-CG2 4.06Å; L289-T292 HydrophobicContact CD2-CG2 4.25Å; L289-T292 PolarHBondContact O-N 2.93Å; L289-T292 PolarHBondContact O-OG1 3.04Å; L289-Y451 HydrophobicContact CB-CE2 4.05Å; L289-Y451 HydrophobicContact CD1-CD2 3.62Å; L289-Y451 HydrophobicContact CD1-CE2 3.54Å; L289-Y451 WeakPolarHBondContact CD1-O 3.39Å; L289-Y451 HydrophobicContact CG-CE2 4.43Å |
| 290 | R | 74.8 | Confident | 71.1 | Confident | 79 Ų | 79 | 59 Ų | 59 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 149.8 | 174.9 | -170.8 | 164.3 | -177.7 | -95 | -7.8 | 110.6 | T292 T449 Y451 T452 S472 | R290-T292 PolarHBondContact O-N 2.99Å; R290-T292 VanDerWaalsContact O-N 3.08Å; R290-T449 WeakPolarHBondContact CA-O 3.05Å; R290-T449 WeakPolarHBondContact CD-OG1 3.32Å; R290-T449 WeakPolarHBondContact CG-O 3.47Å; R290-T449 PolarHBondContact NE-OG1 2.85Å; R290-Y451 WeakPolarHBondContact CB-O 3.35Å; R290-Y451 PolarHBondContact N-O 2.91Å; R290-T452 HydrophobicContact CB-CG2 3.71Å; R290-T452 HydrophobicContact CG-CG2 4.15Å; R290-S472 PolarHBondContact NH1-O 3.01Å |
| 291 | G | 69.2 | Low | 70.9 | Confident | 74 Ų | 74 | 53 Ų | 53 | 76% | 0.763 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -28.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G293 | G291-G293 PolarHBondContact O-N 2.75Å; G291-G293 VanDerWaalsContact O-N 3.15Å |
| 292 | T | 63.2 | Low | 70.5 | Confident | 70 Ų | 70 | 55 Ų | 55 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -61.6 | 120.8 | 167.9 | 67.9 | 0 | 0 | 0 | 0 | 108.8 | Q288 L289 R290 S294 | Q288-T292 PolarHBondContact NE2-O 2.94Å; Q288-T292 PolarHBondContact NE2-OG1 3.33Å; L289-T292 HydrophobicContact CB-CG2 4.06Å; L289-T292 HydrophobicContact CD2-CG2 4.25Å; L289-T292 PolarHBondContact O-N 2.93Å; L289-T292 PolarHBondContact O-OG1 3.04Å; R290-T292 PolarHBondContact O-N 2.99Å; R290-T292 VanDerWaalsContact O-N 3.08Å; T292-S294 WeakPolarHBondContact O-CA 3.46Å; T292-S294 PolarHBondContact O-N 2.77Å |
| 293 | G | 58 | Low | 70.2 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | trans | -61.6 | 97 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G291 A295 K298 | G291-G293 PolarHBondContact O-N 2.75Å; G291-G293 VanDerWaalsContact O-N 3.15Å; G293-A295 PolarHBondContact O-N 3.17Å; G293-K298 WeakPolarHBondContact O-CE 3.23Å | ||
| 294 | S | 55.8 | Low | 70.2 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | trans | -53.3 | 124.3 | -151.1 | 175.9 | 0 | 0 | 0 | 0 | 114 | Q288 T292 L296 K297 K298 | Q288-S294 PolarHBondContact OE1-OG 3.04Å; T292-S294 WeakPolarHBondContact O-CA 3.46Å; T292-S294 PolarHBondContact O-N 2.77Å; S294-L296 VanDerWaalsContact C-N 3.25Å; S294-L296 PolarHBondContact O-N 3.24Å; S294-L296 PolarHBondContact OG-N 3.02Å; S294-K297 PolarHBondContact O-N 2.93Å; S294-K297 VanDerWaalsContact O-N 3.14Å; S294-K297 PolarHBondContact OG-N 2.86Å; S294-K298 WeakPolarHBondContact O-CG 3.03Å; S294-K298 PolarHBondContact O-N 3.43Å | ||
| 295 | A | 58.3 | Low | 70 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.5 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G293 K297 K298 L299 | G293-A295 PolarHBondContact O-N 3.17Å; A295-K297 PolarHBondContact O-N 3.2Å; A295-K298 PolarHBondContact O-N 2.04Å; A295-K298 VanDerWaalsContact O-N 3.15Å; A295-L299 HydrophobicContact CB-CD1 4.35Å; A295-L299 VanDerWaalsContact O-CB 3.26Å; A295-L299 WeakPolarHBondContact O-CB 3.2Å; A295-L299 VanDerWaalsContact O-CD1 3.28Å; A295-L299 WeakPolarHBondContact O-CD1 3.4Å; A295-L299 WeakPolarHBondContact O-CG 3.32Å; A295-L299 PolarHBondContact O-N 2.98Å |
| 296 | L | 60.6 | Low | 70.1 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 177.9 | -56.3 | 175.7 | 0 | 0 | 0 | 112 | Q287 S294 G300 L301 N311 F313 | Q287-L296 VanDerWaalsContact OE1-CD1 3.23Å; S294-L296 VanDerWaalsContact C-N 3.25Å; S294-L296 PolarHBondContact O-N 3.24Å; S294-L296 PolarHBondContact OG-N 3.02Å; L296-G300 PolarHBondContact O-N 2.84Å; L296-G300 VanDerWaalsContact O-N 3.08Å; L296-L301 HydrophobicContact CB-CB 4.29Å; L296-L301 HydrophobicContact CD2-CB 4.38Å; L296-L301 HydrophobicContact CD2-CD1 3.67Å; L296-L301 PolarHBondContact O-N 2.85Å; L296-N311 VanDerWaalsContact CD1-ND2 3.3Å; L296-N311 WeakPolarHBondContact CD1-ND2 3.33Å; L296-F313 HydrophobicContact CD1-CD2 4.05Å; L296-F313 HydrophobicContact CD2-CD2 3.83Å; L296-F313 HydrophobicContact CD2-CE2 3.93Å |
| 297 | K | 63.2 | Low | 70.3 | Confident | 163 Ų | 163 | 67.9 Ų | 67.9 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.7 | -41.4 | 174 | -172.3 | 179.8 | 176.8 | -176.7 | 0 | 112.3 | S294 A295 G300 | S294-K297 PolarHBondContact O-N 2.93Å; S294-K297 VanDerWaalsContact O-N 3.14Å; S294-K297 PolarHBondContact OG-N 2.86Å; A295-K297 PolarHBondContact O-N 3.2Å; K297-G300 PolarHBondContact O-N 3.23Å |
| 298 | K | 63.9 | Low | 70.8 | Confident | 137 Ų | 137 | 67.7 Ų | 67.7 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67 | -37.9 | 177.2 | -71 | -178.8 | 177.4 | -176.3 | 0 | 112.7 | W44 G293 S294 A295 G300 | W44-K298 VanDerWaalsContact CD1-O 3.28Å; W44-K298 HydrophobicContact CZ2-CB 4.49Å; W44-K298 HydrophobicContact CZ2-CD 4.38Å; G293-K298 WeakPolarHBondContact O-CE 3.23Å; S294-K298 WeakPolarHBondContact O-CG 3.03Å; S294-K298 PolarHBondContact O-N 3.43Å; A295-K298 PolarHBondContact O-N 2.04Å; A295-K298 VanDerWaalsContact O-N 3.15Å; K298-G300 PolarHBondContact O-N 3.49Å |
| 299 | L | 62.9 | Low | 71.1 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.8 | -23.4 | 174.7 | -72 | 160.6 | 0 | 0 | 0 | 112.1 | Q40 F41 W44 A295 L301 | Q40-L299 VanDerWaalsContact CG-O 3.24Å; Q40-L299 WeakPolarHBondContact CG-O 3.16Å; Q40-L299 PolarHBondContact NE2-O 3.31Å; F41-L299 HydrophobicContact CB-CD2 4Å; F41-L299 HydrophobicContact CD2-CD1 4.25Å; F41-L299 HydrophobicContact CD2-CD2 3.65Å; F41-L299 HydrophobicContact CG-CD2 4.23Å; W44-L299 HydrophobicContact CB-CD2 3.58Å; W44-L299 HydrophobicContact CD2-CD2 3.69Å; W44-L299 HydrophobicContact CD2-CG 4.2Å; W44-L299 HydrophobicContact CE3-CD2 3.7Å; W44-L299 HydrophobicContact CE3-CG 4.4Å; W44-L299 HydrophobicContact CG-CD2 3.64Å; W44-L299 HydrophobicContact CG-CG 4.24Å; A295-L299 HydrophobicContact CB-CD1 4.35Å; A295-L299 VanDerWaalsContact O-CB 3.26Å; A295-L299 WeakPolarHBondContact O-CB 3.2Å; A295-L299 VanDerWaalsContact O-CD1 3.28Å; A295-L299 WeakPolarHBondContact O-CD1 3.4Å; A295-L299 WeakPolarHBondContact O-CG 3.32Å; A295-L299 PolarHBondContact O-N 2.98Å; L299-L301 HydrophobicContact CB-CD1 3.82Å; L299-L301 HydrophobicContact CB-CG 3.71Å; L299-L301 HydrophobicContact CD1-CD1 3.74Å; L299-L301 HydrophobicContact CG-CD1 4.35Å |
| 300 | G | 65.8 | Low | 71.4 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 24.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q40 L296 K297 K298 M302 | Q40-G300 PolarHBondContact NE2-O 3.33Å; L296-G300 PolarHBondContact O-N 2.84Å; L296-G300 VanDerWaalsContact O-N 3.08Å; K297-G300 PolarHBondContact O-N 3.23Å; K298-G300 PolarHBondContact O-N 3.49Å; G300-M302 PolarHBondContact O-N 3.03Å |
| 301 | L | 68.2 | Low | 71.5 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | trans | -80.4 | 49.2 | -177 | -63.9 | 177.2 | 0 | 0 | 0 | 112.2 | L37 Q40 L296 L299 I312 F313 | L37-L301 HydrophobicContact CD2-CD1 3.91Å; L37-L301 HydrophobicContact CD2-CD2 3.6Å; L37-L301 HydrophobicContact CD2-CG 4.38Å; Q40-L301 HydrophobicContact CB-CD2 4.49Å; Q40-L301 VanDerWaalsContact CD-CD2 3.41Å; Q40-L301 HydrophobicContact CG-CD2 4.01Å; L296-L301 HydrophobicContact CB-CB 4.29Å; L296-L301 HydrophobicContact CD2-CB 4.38Å; L296-L301 HydrophobicContact CD2-CD1 3.67Å; L296-L301 PolarHBondContact O-N 2.85Å; L299-L301 HydrophobicContact CB-CD1 3.82Å; L299-L301 HydrophobicContact CB-CG 3.71Å; L299-L301 HydrophobicContact CD1-CD1 3.74Å; L299-L301 HydrophobicContact CG-CD1 4.35Å; L301-I312 HydrophobicContact CB-CD1 3.77Å; L301-I312 HydrophobicContact CB-CG1 4.16Å; L301-I312 HydrophobicContact CD2-CD1 3.77Å; L301-I312 HydrophobicContact CG-CD1 4.22Å; L301-I312 PolarHBondContact O-N 2.98Å; L301-F313 HydrophobicContact CD1-CE2 4.37Å | ||
| 302 | M | 76.1 | Confident | 72 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 30% | 0.3 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.8 | -178.4 | -55.3 | -64.5 | -65 | 0 | 0 | 108.9 | G300 K309 Q310 N311 | G300-M302 PolarHBondContact O-N 3.03Å; M302-K309 HydrophobicContact CE-CB 4.42Å; M302-Q310 CarbonylContact C-O 3.49Å; M302-Q310 WeakPolarHBondContact CA-O 3.45Å; M302-N311 HydrophobicContact CE-CB 4.32Å; M302-N311 VanDerWaalsContact CE-N 3.34Å; M302-N311 HydrophobicContact SD-CB 4.01Å |
| 303 | R | 79.5 | Confident | 72.6 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 39% | 0.389 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 158.3 | 170.5 | 58.7 | 176.8 | -170.8 | 169.2 | 9 | 110.7 | V305 Q310 I312 | R303-V305 HydrophobicContact CG-CG2 3.97Å; R303-Q310 WeakPolarHBondContact CG-O 3.39Å; R303-Q310 PolarHBondContact N-O 2.91Å; R303-Q310 PolarHBondContact O-N 3.25Å; R303-I312 HydrophobicContact CB-CG2 4.03Å; R303-I312 HydrophobicContact CG-CG2 3.95Å |
| 304 | K | 83.1 | Confident | 74.1 | Confident | 163 Ų | 163 | 66.5 Ų | 66.5 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134 | 161.4 | -76.8 | -173.9 | 176.7 | -178.1 | 0 | 109.1 | F308 | K304-F308 CarbonylContact C-O 3.03Å; K304-F308 VanDerWaalsContact CA-O 3.3Å; K304-F308 WeakPolarHBondContact CA-O 3.37Å |
| 305 | V | 82.3 | Confident | 75.7 | Confident | 27 Ų | 27 | 65 Ų | 65 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 123.3 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | R303 G307 F308 | R303-V305 HydrophobicContact CG-CG2 3.97Å; V305-G307 PolarHBondContact O-N 3.06Å; V305-F308 PolarHBondContact N-O 3.09Å; V305-F308 PolarHBondContact O-N 2.89Å |
| 306 | N | 83.6 | Confident | 77.3 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 43.5 | -177.7 | -59.1 | -21.9 | 0 | 0 | 0 | 112.7 | F308 S443 | N306-F308 WeakPolarHBondContact O-CD2 3.42Å; N306-F308 PolarHBondContact O-N 2.87Å; N306-F308 VanDerWaalsContact O-N 3.12Å; N306-S443 PolarHBondContact ND2-O 3.34Å |
| 307 | G | 82.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 63% | 0.629 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -34.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V305 | V305-G307 PolarHBondContact O-N 3.06Š|
| 308 | F | 84.6 | Confident | 79.4 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 145 | -176.6 | -59.9 | -76 | 0 | 0 | 0 | 113.1 | K304 V305 N306 G444 H445 N467 | K304-F308 CarbonylContact C-O 3.03Å; K304-F308 VanDerWaalsContact CA-O 3.3Å; K304-F308 WeakPolarHBondContact CA-O 3.37Å; V305-F308 PolarHBondContact N-O 3.09Å; V305-F308 PolarHBondContact O-N 2.89Å; N306-F308 WeakPolarHBondContact O-CD2 3.42Å; N306-F308 PolarHBondContact O-N 2.87Å; N306-F308 VanDerWaalsContact O-N 3.12Å; F308-G444 WeakPolarHBondContact CB-O 3.35Å; F308-H445 AromaticContact CE2-CD2 3.68Å; F308-N467 HydrophobicContact CE1-CB 4.3Å; F308-N467 HydrophobicContact CZ-CB 4.28Å |
| 309 | K | 80.3 | Confident | 80.5 | Confident | 150 Ų | 150 | 54 Ų | 54 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.5 | 172.6 | -73.4 | -177.5 | 179.7 | 176.6 | 0 | 109.6 | M302 | M302-K309 HydrophobicContact CE-CB 4.42Å |
| 310 | Q | 82.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.4 | -179.9 | 166.9 | 168.5 | 99.3 | 0 | 0 | 111 | M302 R303 I312 E441 A446 N447 | M302-Q310 CarbonylContact C-O 3.49Å; M302-Q310 WeakPolarHBondContact CA-O 3.45Å; R303-Q310 WeakPolarHBondContact CG-O 3.39Å; R303-Q310 PolarHBondContact N-O 2.91Å; R303-Q310 PolarHBondContact O-N 3.25Å; Q310-I312 PolarHBondContact O-N 2.78Å; Q310-E441 PolarHBondContact NE2-O 3.21Å; Q310-A446 PolarHBondContact NE2-O 2.76Å; Q310-N447 WeakPolarHBondContact CA-OD1 3.45Å |
| 311 | N | 78.5 | Confident | 82.7 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 127.7 | 166.9 | -175.5 | -7.8 | 0 | 0 | 0 | 110.1 | Q287 L296 M302 F313 N447 | Q287-N311 PolarHBondContact OE1-ND2 3.13Å; L296-N311 VanDerWaalsContact CD1-ND2 3.3Å; L296-N311 WeakPolarHBondContact CD1-ND2 3.33Å; M302-N311 HydrophobicContact CE-CB 4.32Å; M302-N311 VanDerWaalsContact CE-N 3.34Å; M302-N311 HydrophobicContact SD-CB 4.01Å; N311-F313 WeakPolarHBondContact CB-O 3.44Å; N311-F313 PolarHBondContact ND2-O 3.21Å; N311-F313 CarbonylContact O-C 3.53Å; N311-F313 PolarHBondContact O-N 2.77Å; N311-F313 PolarHBondContact OD1-N 2.86Å; N311-F313 PolarHBondContact OD1-O 3.22Å; N311-N447 WeakPolarHBondContact CB-OD1 3.45Å; N311-N447 PolarHBondContact N-OD1 3.33Å |
| 312 | I | 77.8 | Confident | 83.7 | Confident | 60 Ų | 60 | 64 Ų | 64 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -59.2 | -29.5 | 178.7 | 63.3 | -177.3 | 0 | 0 | 0 | 111.8 | L37 L301 R303 Q310 | L37-I312 HydrophobicContact CD2-CD1 3.63Å; L301-I312 HydrophobicContact CB-CD1 3.77Å; L301-I312 HydrophobicContact CB-CG1 4.16Å; L301-I312 HydrophobicContact CD2-CD1 3.77Å; L301-I312 HydrophobicContact CG-CD1 4.22Å; L301-I312 PolarHBondContact O-N 2.98Å; R303-I312 HydrophobicContact CB-CG2 4.03Å; R303-I312 HydrophobicContact CG-CG2 3.95Å; Q310-I312 PolarHBondContact O-N 2.78Å |
| 313 | F | 77.2 | Confident | 84.4 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -89.5 | 106.9 | 168 | -56 | -67.4 | 0 | 0 | 0 | 108.4 | L37 Q287 L296 L301 N311 | L37-F313 HydrophobicContact CD1-CZ 3.82Å; L37-F313 HydrophobicContact CD2-CE2 4.1Å; L37-F313 HydrophobicContact CD2-CZ 3.87Å; Q287-F313 PolarHBondContact NE2-O 2.84Å; L296-F313 HydrophobicContact CD1-CD2 4.05Å; L296-F313 HydrophobicContact CD2-CD2 3.83Å; L296-F313 HydrophobicContact CD2-CE2 3.93Å; L301-F313 HydrophobicContact CD1-CE2 4.37Å; N311-F313 WeakPolarHBondContact CB-O 3.44Å; N311-F313 PolarHBondContact ND2-O 3.21Å; N311-F313 CarbonylContact O-C 3.53Å; N311-F313 PolarHBondContact O-N 2.77Å; N311-F313 PolarHBondContact OD1-N 2.86Å; N311-F313 PolarHBondContact OD1-O 3.22Å |
| 314 | R | 88.2 | Confident | 85 | Confident | 59 Ų | 59 | 60 Ų | 60 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | trans | -70 | 157 | 168.9 | -68.6 | -165.2 | -62.6 | -127.2 | -5.7 | 110.5 | N285 Q287 V316 S317 E441 | N285-R314 WeakPolarHBondContact CB-O 3.49Å; Q287-R314 PolarHBondContact NE2-O 2.96Å; R314-V316 VanDerWaalsContact CB-O 3.24Å; R314-V316 WeakPolarHBondContact CB-O 3.15Å; R314-V316 PolarHBondContact NE-O 2.86Å; R314-S317 PolarHBondContact NH2-O 3.31Å; R314-E441 HydrophobicContact CB-CG 4.08Å; R314-E441 WeakPolarHBondContact CB-OE2 3.46Å; R314-E441 WeakPolarHBondContact CD-O 3.32Å; R314-E441 HydrophobicContact CG-CG 3.87Å | ||
| 315 | F | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -71 | -43.3 | 165 | 170.8 | -107.6 | 0 | 0 | 0 | 110.6 | F284 N285 Y286 S317 Y437 E441 Y448 A460 I462 M476 L478 | F284-F315 CarbonylContact C-O 3.56Å; F284-F315 WeakPolarHBondContact CA-O 3.49Å; F284-F315 HydrophobicContact CB-CE2 4.39Å; F284-F315 HydrophobicContact CB-CZ 4.32Å; F284-F315 AromaticContact CD1-CE1 3.96Å; F284-F315 HydrophobicContact CD1-CE1 3.96Å; F284-F315 HydrophobicContact CD1-CZ 4.05Å; N285-F315 PolarHBondContact N-O 2.68Å; Y286-F315 AromaticContact CD1-CE2 3.75Å; Y286-F315 HydrophobicContact CD1-CE2 3.75Å; Y286-F315 HydrophobicContact CD1-CZ 4.5Å; Y286-F315 HydrophobicContact CE1-CE2 4.02Å; Y286-F315 HydrophobicContact CE1-CZ 4.36Å; Y286-F315 HydrophobicContact CG-CE2 4.5Å; F315-S317 PolarHBondContact O-N 3.31Å; F315-Y437 HydrophobicContact CB-CE1 4.05Å; F315-Y437 HydrophobicContact CD1-CD1 4.12Å; F315-Y437 AromaticContact CD1-CE1 3.79Å; F315-Y437 HydrophobicContact CD1-CE1 3.79Å; F315-Y437 HydrophobicContact CG-CE1 4.38Å; F315-E441 VanDerWaalsContact N-CD 3.26Å; F315-E441 PolarHBondContact N-OE1 3.22Å; F315-E441 PolarHBondContact N-OE2 2.77Å; F315-Y448 HydrophobicContact CB-CD1 3.87Å; F315-Y448 HydrophobicContact CB-CD2 4.05Å; F315-Y448 HydrophobicContact CB-CE1 4.25Å; F315-Y448 HydrophobicContact CB-CE2 4.44Å; F315-Y448 HydrophobicContact CB-CG 3.74Å; F315-Y448 HydrophobicContact CD2-CE1 4.12Å; F315-Y448 HydrophobicContact CD2-CE2 4.18Å; F315-Y448 AromaticContact CD2-CZ 3.89Å; F315-Y448 HydrophobicContact CG-CD2 4.4Å; F315-Y448 HydrophobicContact CG-CE2 4.39Å; F315-A460 HydrophobicContact CE2-CB 4.38Å; F315-A460 HydrophobicContact CZ-CB 3.69Å; F315-I462 HydrophobicContact CD1-CD1 4.02Å; F315-I462 HydrophobicContact CD2-CG2 4.36Å; F315-I462 HydrophobicContact CE1-CD1 4.16Å; F315-I462 HydrophobicContact CE1-CG2 4.26Å; F315-I462 HydrophobicContact CE2-CG2 4.06Å; F315-I462 HydrophobicContact CZ-CG2 4.02Å; F315-M476 HydrophobicContact CE1-SD 4.43Å; F315-L478 HydrophobicContact CE1-CD2 4.23Å; F315-L478 HydrophobicContact CZ-CD2 4.11Å |
| 316 | V | 92.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 99.6 | 169.1 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | F284 R314 F318 V319 Y437 E441 | F284-V316 HydrophobicContact CD1-CG2 4.25Å; F284-V316 HydrophobicContact CE1-CG2 4.07Å; R314-V316 VanDerWaalsContact CB-O 3.24Å; R314-V316 WeakPolarHBondContact CB-O 3.15Å; R314-V316 PolarHBondContact NE-O 2.86Å; V316-F318 VanDerWaalsContact C-N 3.34Å; V316-F318 PolarHBondContact O-N 3.14Å; V316-V319 HydrophobicContact CG1-CG2 3.64Å; V316-Y437 HydrophobicContact CG2-CD1 3.93Å; V316-Y437 HydrophobicContact CG2-CE1 4.25Å; V316-E441 PolarHBondContact N-OE2 2.75Å |
| 317 | S | 83.2 | Confident | 86.6 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | -47.9 | -173.1 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | D283 R314 F315 | D283-S317 PolarHBondContact O-N 3.27Å; D283-S317 WeakPolarHBondContact OD2-CB 3.35Å; D283-S317 PolarHBondContact OD2-OG 3.48Å; R314-S317 PolarHBondContact NH2-O 3.31Å; F315-S317 PolarHBondContact O-N 3.31Å |
| 318 | F | 84.6 | Confident | 87.3 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 168.5 | 172.7 | 68.5 | -81.9 | 0 | 0 | 0 | 110.8 | D281 T282 D283 V316 | D281-F318 VanDerWaalsContact C-CE2 3.43Å; D281-F318 WeakPolarHBondContact O-CE2 3.4Å; T282-F318 WeakPolarHBondContact CA-O 3.45Å; T282-F318 WeakPolarHBondContact CB-O 3.27Å; T282-F318 PolarHBondContact OG1-O 3.46Å; D283-F318 HydrophobicContact CB-CD1 4.3Å; D283-F318 HydrophobicContact CB-CE1 3.8Å; V316-F318 VanDerWaalsContact C-N 3.34Å; V316-F318 PolarHBondContact O-N 3.14Å |
| 319 | V | 87 | Confident | 87.8 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 120.6 | 164 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | D281 V316 Y323 K324 W434 | D281-V319 CarbonylContact O-C 3.46Å; D281-V319 WeakPolarHBondContact O-CA 3.49Å; V316-V319 HydrophobicContact CG1-CG2 3.64Å; V319-Y323 HydrophobicContact CG1-CD1 3.71Å; V319-Y323 HydrophobicContact CG1-CG 4.38Å; V319-K324 HydrophobicContact CG1-CD 4.48Å; V319-K324 HydrophobicContact CG1-CG 4.1Å; V319-K324 PolarHBondContact O-NZ 2.95Å; V319-W434 HydrophobicContact CG2-CZ3 4.06Å |
| 320 | S | 86.5 | Confident | 88.5 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | trans | -60.9 | 163.3 | -172.6 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | D281 S322 Y323 K324 | D281-S320 PolarHBondContact O-N 3.1Å; D281-S320 PolarHBondContact OD1-OG 2.9Å; S320-S322 WeakPolarHBondContact CB-OG 3.11Å; S320-S322 PolarHBondContact OG-OG 3.03Å; S320-Y323 WeakPolarHBondContact OG-CB 3.36Å; S320-Y323 PolarHBondContact OG-N 2.95Å; S320-K324 WeakPolarHBondContact O-CD 3.17Å; S320-K324 WeakPolarHBondContact O-CG 3.47Å; S320-K324 PolarHBondContact O-N 3.12Å | ||
| 321 | K | 88.6 | Confident | 89.2 | Confident | 194 Ų | 194 | 48.1 Ų | 48.1 | 84% | 0.843 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.9 | -42.2 | 170.7 | -72.4 | -173.7 | 178.6 | -178.8 | 0 | 110.8 | Y323 K324 S325 | K321-Y323 VanDerWaalsContact C-N 3.35Å; K321-Y323 PolarHBondContact O-N 3.38Å; K321-K324 PolarHBondContact O-N 3.19Å; K321-S325 PolarHBondContact O-N 3.27Å; K321-S325 PolarHBondContact O-OG 3.25Å; K321-S325 VanDerWaalsContact O-OG 3.07Å |
| 322 | S | 88.4 | Confident | 90.1 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.1 | -46.6 | 176.7 | 44.7 | 0 | 0 | 0 | 0 | 112.5 | D281 S320 S325 K326 | D281-S322 PolarHBondContact OD1-OG 3.37Å; D281-S322 VanDerWaalsContact OD1-OG 3.08Å; S320-S322 WeakPolarHBondContact CB-OG 3.11Å; S320-S322 PolarHBondContact OG-OG 3.03Å; S322-S325 WeakPolarHBondContact CA-OG 3.39Å; S322-S325 PolarHBondContact O-N 2.89Å; S322-S325 PolarHBondContact O-OG 3.22Å; S322-K326 PolarHBondContact O-N 2.99Å |
| 323 | Y | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 177.9 | -168.1 | -104.2 | 0 | 0 | 0 | 112 | N275 A277 D281 V319 S320 K321 S325 K326 V329 W434 I435 S480 | N275-Y323 WeakPolarHBondContact O-CE2 3.47Å; N275-Y323 PolarHBondContact O-OH 2.98Å; N275-Y323 VanDerWaalsContact O-OH 3.13Å; A277-Y323 HydrophobicContact CB-CD2 3.86Å; A277-Y323 HydrophobicContact CB-CE2 3.6Å; D281-Y323 HydrophobicContact CB-CD2 4Å; D281-Y323 HydrophobicContact CB-CG 4.16Å; V319-Y323 HydrophobicContact CG1-CD1 3.71Å; V319-Y323 HydrophobicContact CG1-CG 4.38Å; S320-Y323 WeakPolarHBondContact OG-CB 3.36Å; S320-Y323 PolarHBondContact OG-N 2.95Å; K321-Y323 VanDerWaalsContact C-N 3.35Å; K321-Y323 PolarHBondContact O-N 3.38Å; Y323-S325 PolarHBondContact O-N 3.09Å; Y323-K326 HydrophobicContact CD2-CD 4.17Å; Y323-K326 HydrophobicContact CE2-CD 4.26Å; Y323-K326 WeakPolarHBondContact O-CB 3.39Å; Y323-K326 PolarHBondContact O-N 3.4Å; Y323-V329 HydrophobicContact CD1-CG1 3.94Å; Y323-V329 HydrophobicContact CE1-CB 4.44Å; Y323-V329 HydrophobicContact CE1-CG1 3.7Å; Y323-V329 HydrophobicContact CE1-CG2 3.85Å; Y323-V329 HydrophobicContact CE2-CG2 4.22Å; Y323-V329 WeakPolarHBondContact O-CG1 3.21Å; Y323-W434 HydrophobicContact CD1-CH2 4.14Å; Y323-W434 AromaticContact CE1-CH2 3.67Å; Y323-W434 HydrophobicContact CE1-CH2 3.67Å; Y323-W434 AromaticContact CE1-CZ2 3.64Å; Y323-W434 HydrophobicContact CE1-CZ2 3.64Å; Y323-W434 AromaticContact CZ-CZ2 3.73Å; Y323-I435 HydrophobicContact CE1-CD1 4.05Å; Y323-I435 HydrophobicContact CE1-CG1 4.26Å; Y323-S480 PolarHBondContact OH-O 2.99Å |
| 324 | K | 92.2 | Very high | 91.6 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 35% | 0.352 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -21.6 | 179 | -69.3 | 168.8 | 177.1 | 150.5 | 0 | 113.5 | V319 S320 K321 L333 | V319-K324 HydrophobicContact CG1-CD 4.48Å; V319-K324 HydrophobicContact CG1-CG 4.1Å; V319-K324 PolarHBondContact O-NZ 2.95Å; S320-K324 WeakPolarHBondContact O-CD 3.17Å; S320-K324 WeakPolarHBondContact O-CG 3.47Å; S320-K324 PolarHBondContact O-N 3.12Å; K321-K324 PolarHBondContact O-N 3.19Å; K324-L333 HydrophobicContact CB-CD1 3.97Å; K324-L333 HydrophobicContact CG-CD1 3.83Å |
| 325 | S | 93.6 | Very high | 91.9 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -85.7 | -11.5 | 173 | 45 | 0 | 0 | 0 | 0 | 114.7 | K321 S322 Y323 | K321-S325 PolarHBondContact O-N 3.27Å; K321-S325 PolarHBondContact O-OG 3.25Å; K321-S325 VanDerWaalsContact O-OG 3.07Å; S322-S325 WeakPolarHBondContact CA-OG 3.39Å; S322-S325 PolarHBondContact O-N 2.89Å; S322-S325 PolarHBondContact O-OG 3.22Å; Y323-S325 PolarHBondContact O-N 3.09Å |
| 326 | K | 94.4 | Very high | 92 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -58 | 138 | 175.1 | -66.3 | -164.7 | -179.7 | -171.3 | 0 | 110 | V274 N275 A276 S322 Y323 T328 V329 K330 | V274-K326 PolarHBondContact O-NZ 2.69Å; N275-K326 HydrophobicContact CB-CD 4.36Å; A276-K326 PolarHBondContact O-NZ 3.02Å; S322-K326 PolarHBondContact O-N 2.99Å; Y323-K326 HydrophobicContact CD2-CD 4.17Å; Y323-K326 HydrophobicContact CE2-CD 4.26Å; Y323-K326 WeakPolarHBondContact O-CB 3.39Å; Y323-K326 PolarHBondContact O-N 3.4Å; K326-T328 PolarHBondContact O-N 3.12Å; K326-V329 HydrophobicContact CB-CB 4.21Å; K326-V329 HydrophobicContact CB-CG2 4.02Å; K326-V329 PolarHBondContact O-N 3.14Å; K326-K330 WeakPolarHBondContact O-CB 3.33Å; K326-K330 PolarHBondContact O-N 2.98Å |
| 327 | P | 94 | Very high | 91.6 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | -163.3 | -28.7 | 36.1 | 0 | 0 | 0 | 115.5 | K330 A331 M363 | P327-K330 PolarHBondContact O-N 3.3Å; P327-A331 PolarHBondContact O-N 2.95Å; P327-A331 VanDerWaalsContact O-N 3.07Å; P327-M363 HydrophobicContact CB-CE 3.88Å; P327-M363 HydrophobicContact CB-SD 4.23Å |
| 328 | T | 97 | Very high | 92 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 179.3 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | N275 K326 K330 A331 F332 M363 V364 T367 E483 | N275-T328 PolarHBondContact ND2-OG1 2.85Å; K326-T328 PolarHBondContact O-N 3.12Å; T328-K330 PolarHBondContact O-N 2.78Å; T328-A331 PolarHBondContact O-N 2.86Å; T328-F332 VanDerWaalsContact O-CB 3.31Å; T328-F332 WeakPolarHBondContact O-CB 3.45Å; T328-F332 PolarHBondContact O-N 3.43Å; T328-M363 HydrophobicContact CG2-CB 4.19Å; T328-M363 WeakPolarHBondContact CG2-O 3.3Å; T328-V364 HydrophobicContact CG2-CG1 4.03Å; T328-T367 HydrophobicContact CG2-CG2 3.88Å; T328-E483 WeakPolarHBondContact CB-OE1 3.41Å; T328-E483 WeakPolarHBondContact CB-OE2 3.44Å; T328-E483 WeakPolarHBondContact CG2-OE1 3.25Å; T328-E483 VanDerWaalsContact OG1-CD 3.28Å; T328-E483 PolarHBondContact OG1-OE1 3.05Å; T328-E483 PolarHBondContact OG1-OE2 2.85Å |
| 329 | V | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 174 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | Y323 K326 F332 L333 | Y323-V329 HydrophobicContact CD1-CG1 3.94Å; Y323-V329 HydrophobicContact CE1-CB 4.44Å; Y323-V329 HydrophobicContact CE1-CG1 3.7Å; Y323-V329 HydrophobicContact CE1-CG2 3.85Å; Y323-V329 HydrophobicContact CE2-CG2 4.22Å; Y323-V329 WeakPolarHBondContact O-CG1 3.21Å; K326-V329 HydrophobicContact CB-CB 4.21Å; K326-V329 HydrophobicContact CB-CG2 4.02Å; K326-V329 PolarHBondContact O-N 3.14Å; V329-F332 PolarHBondContact O-N 2.93Å; V329-L333 HydrophobicContact CG1-CD1 3.86Å; V329-L333 HydrophobicContact CG1-CG 4.29Å; V329-L333 WeakPolarHBondContact O-CB 3.05Å; V329-L333 WeakPolarHBondContact O-CG 3.14Å; V329-L333 PolarHBondContact O-N 3.19Å |
| 330 | K | 95.4 | Very high | 92.2 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.5 | -175.2 | -178.4 | 177.6 | -175.8 | 0 | 111.7 | K326 P327 T328 Q334 | K326-K330 WeakPolarHBondContact O-CB 3.33Å; K326-K330 PolarHBondContact O-N 2.98Å; P327-K330 PolarHBondContact O-N 3.3Å; T328-K330 PolarHBondContact O-N 2.78Å; K330-Q334 WeakPolarHBondContact O-CG 3.42Å; K330-Q334 PolarHBondContact O-N 2.9Å; K330-Q334 VanDerWaalsContact O-N 3.16Å |
| 331 | A | 96.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P327 T328 L333 Q334 L335 F360 M363 | P327-A331 PolarHBondContact O-N 2.95Å; P327-A331 VanDerWaalsContact O-N 3.07Å; T328-A331 PolarHBondContact O-N 2.86Å; A331-L333 PolarHBondContact O-N 3.32Å; A331-Q334 PolarHBondContact O-N 3.14Å; A331-L335 WeakPolarHBondContact O-CB 3.29Å; A331-L335 PolarHBondContact O-N 3.36Å; A331-F360 HydrophobicContact CB-CB 4.5Å; A331-F360 HydrophobicContact CB-CD2 4.15Å; A331-M363 HydrophobicContact CB-CB 4.46Å; A331-M363 HydrophobicContact CB-CG 4.38Å |
| 332 | F | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.9 | 178.9 | -100.5 | 0 | 0 | 0 | 112.6 | T328 V329 Q334 L335 M336 F360 F415 F419 I435 R436 P482 | T328-F332 VanDerWaalsContact O-CB 3.31Å; T328-F332 WeakPolarHBondContact O-CB 3.45Å; T328-F332 PolarHBondContact O-N 3.43Å; V329-F332 PolarHBondContact O-N 2.93Å; F332-Q334 VanDerWaalsContact C-N 3.28Å; F332-Q334 PolarHBondContact O-N 2.83Å; F332-L335 PolarHBondContact O-N 3.09Å; F332-L335 VanDerWaalsContact O-N 3.17Å; F332-M336 HydrophobicContact CE1-SD 4.24Å; F332-M336 WeakPolarHBondContact O-CB 3.43Å; F332-M336 WeakPolarHBondContact O-CG 3.26Å; F332-M336 PolarHBondContact O-N 3.27Å; F332-F360 HydrophobicContact CB-CD2 4.24Å; F332-F360 HydrophobicContact CB-CE2 3.87Å; F332-F360 HydrophobicContact CD2-CE2 4.09Å; F332-F360 HydrophobicContact CD2-CZ 4.22Å; F332-F360 HydrophobicContact CG-CE2 4.49Å; F332-F415 HydrophobicContact CD2-CE2 4.17Å; F332-F415 AromaticContact CD2-CZ 3.82Å; F332-F415 HydrophobicContact CD2-CZ 3.82Å; F332-F415 AromaticContact CE2-CE2 3.99Å; F332-F415 HydrophobicContact CE2-CE2 3.99Å; F332-F415 AromaticContact CE2-CZ 3.66Å; F332-F415 HydrophobicContact CE2-CZ 3.66Å; F332-F419 HydrophobicContact CE2-CB 3.71Å; F332-F419 AromaticContact CE2-CD1 3.48Å; F332-F419 HydrophobicContact CE2-CD1 3.48Å; F332-F419 VanDerWaalsContact CE2-CD1 3.48Å; F332-F419 HydrophobicContact CE2-CE1 4.33Å; F332-F419 AromaticContact CE2-CG 3.81Å; F332-F419 HydrophobicContact CE2-CG 3.81Å; F332-F419 HydrophobicContact CZ-CB 3.9Å; F332-F419 AromaticContact CZ-CD1 3.75Å; F332-F419 HydrophobicContact CZ-CD1 3.75Å; F332-F419 HydrophobicContact CZ-CG 4.23Å; F332-I435 HydrophobicContact CD1-CB 4.49Å; F332-I435 HydrophobicContact CD1-CG2 4.24Å; F332-I435 HydrophobicContact CE1-CB 4.07Å; F332-I435 HydrophobicContact CE1-CG2 4.18Å; F332-R436 HydrophobicContact CZ-CB 4.5Å; F332-P482 HydrophobicContact CB-CB 4.27Å; F332-P482 HydrophobicContact CB-CG 3.72Å; F332-P482 HydrophobicContact CD1-CG 4.11Å; F332-P482 HydrophobicContact CD2-CB 3.94Å; F332-P482 HydrophobicContact CD2-CG 4.05Å; F332-P482 HydrophobicContact CG-CB 4.11Å; F332-P482 HydrophobicContact CG-CG 3.69Å |
| 333 | L | 94.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -29.8 | 178.4 | -72.6 | 171.6 | 0 | 0 | 0 | 113.2 | K324 V329 A331 M336 I435 T439 | K324-L333 HydrophobicContact CB-CD1 3.97Å; K324-L333 HydrophobicContact CG-CD1 3.83Å; V329-L333 HydrophobicContact CG1-CD1 3.86Å; V329-L333 HydrophobicContact CG1-CG 4.29Å; V329-L333 WeakPolarHBondContact O-CB 3.05Å; V329-L333 WeakPolarHBondContact O-CG 3.14Å; V329-L333 PolarHBondContact O-N 3.19Å; A331-L333 PolarHBondContact O-N 3.32Å; L333-M336 HydrophobicContact CB-CE 4.45Å; L333-M336 HydrophobicContact CD2-CE 3.51Å; L333-M336 HydrophobicContact CD2-SD 3.91Å; L333-I435 HydrophobicContact CD2-CG2 3.87Å; L333-I435 HydrophobicContact CG-CG2 4.49Å; L333-T439 HydrophobicContact CD2-CG2 3.64Å |
| 334 | Q | 92.9 | Very high | 91 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -75.3 | -37.4 | 173.3 | -72.4 | 175.4 | -10.7 | 0 | 0 | 112.1 | K330 A331 F332 | K330-Q334 WeakPolarHBondContact O-CG 3.42Å; K330-Q334 PolarHBondContact O-N 2.9Å; K330-Q334 VanDerWaalsContact O-N 3.16Å; A331-Q334 PolarHBondContact O-N 3.14Å; F332-Q334 VanDerWaalsContact C-N 3.28Å; F332-Q334 PolarHBondContact O-N 2.83Å |
| 335 | L | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77.6 | -41.5 | -177 | 176.4 | 56.2 | 0 | 0 | 0 | 113.3 | A331 F332 N337 M338 F339 R356 I357 F360 F400 F415 | A331-L335 WeakPolarHBondContact O-CB 3.29Å; A331-L335 PolarHBondContact O-N 3.36Å; F332-L335 PolarHBondContact O-N 3.09Å; F332-L335 VanDerWaalsContact O-N 3.17Å; L335-N337 PolarHBondContact O-N 2.65Å; L335-M338 WeakPolarHBondContact O-CB 3.25Å; L335-M338 PolarHBondContact O-N 2.81Å; L335-F339 HydrophobicContact CD1-CE2 3.65Å; L335-F339 HydrophobicContact CD1-CZ 4.14Å; L335-F339 HydrophobicContact CG-CE2 3.92Å; L335-R356 HydrophobicContact CD1-CB 4.05Å; L335-I357 HydrophobicContact CD1-CG1 3.73Å; L335-I357 HydrophobicContact CD2-CG1 4.37Å; L335-F360 HydrophobicContact CD2-CB 3.57Å; L335-F360 HydrophobicContact CD2-CD1 3.83Å; L335-F360 HydrophobicContact CD2-CG 3.74Å; L335-F400 HydrophobicContact CD2-CE1 4.01Å; L335-F400 HydrophobicContact CD2-CZ 4.07Å; L335-F415 HydrophobicContact CD2-CE1 4.12Å; L335-F415 HydrophobicContact CD2-CZ 3.93Å; L335-F415 HydrophobicContact CG-CE1 4.14Å; L335-F415 HydrophobicContact CG-CZ 4.28Å |
| 336 | M | 91.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.5 | -173 | 68.9 | 169.3 | -168.6 | 0 | 0 | 115.9 | F332 L333 V420 R436 T439 | F332-M336 HydrophobicContact CE1-SD 4.24Å; F332-M336 WeakPolarHBondContact O-CB 3.43Å; F332-M336 WeakPolarHBondContact O-CG 3.26Å; F332-M336 PolarHBondContact O-N 3.27Å; L333-M336 HydrophobicContact CB-CE 4.45Å; L333-M336 HydrophobicContact CD2-CE 3.51Å; L333-M336 HydrophobicContact CD2-SD 3.91Å; M336-V420 WeakPolarHBondContact O-CG1 3.36Å; M336-R436 VanDerWaalsContact O-CZ 3.28Å; M336-R436 PolarHBondContact O-NH1 3.06Å; M336-R436 PolarHBondContact O-NH2 3.2Å; M336-R436 VanDerWaalsContact O-NH2 3.15Å; M336-R436 HydrophobicContact SD-CB 4.49Å; M336-R436 VanDerWaalsContact SD-CD 3.5Å; M336-T439 HydrophobicContact CE-CG2 3.95Å; M336-T439 WeakPolarHBondContact CE-OG1 3.28Å |
| 337 | N | 84.8 | Confident | 88.8 | Confident | 110 Ų | 110 | 42.2 Ų | 42.2 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 4.4 | 179.7 | -70.6 | -28.7 | 0 | 0 | 0 | 112.9 | L335 R436 | L335-N337 PolarHBondContact O-N 2.65Å; N337-R436 PolarHBondContact OD1-NH1 3.48Å |
| 338 | M | 90.7 | Very high | 88 | Confident | 55 Ų | 55 | 49 Ų | 49 | 27% | 0.271 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -108.3 | 18.2 | -175.2 | -60.6 | -169.1 | 68.3 | 0 | 0 | 114.2 | L335 L352 K353 R356 | L335-M338 WeakPolarHBondContact O-CB 3.25Å; L335-M338 PolarHBondContact O-N 2.81Å; M338-L352 HydrophobicContact CE-CB 4.28Å; M338-L352 HydrophobicContact CE-CD2 4.03Å; M338-L352 HydrophobicContact CE-CG 3.87Å; M338-K353 HydrophobicContact CB-CG 4.14Å; M338-K353 HydrophobicContact CE-CB 3.91Å; M338-K353 HydrophobicContact CE-CG 4.39Å; M338-K353 WeakPolarHBondContact O-CD 3.33Å; M338-K353 WeakPolarHBondContact O-CE 3.35Å; M338-R356 HydrophobicContact SD-CB 4.01Å; M338-R356 HydrophobicContact SD-CG 3.68Å |
| 339 | F | 90.2 | Very high | 87.1 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -119.7 | 143.9 | 179.9 | -68.3 | -94.7 | 0 | 0 | 0 | 109.9 | L335 P341 E347 F400 F415 E416 V420 | L335-F339 HydrophobicContact CD1-CE2 3.65Å; L335-F339 HydrophobicContact CD1-CZ 4.14Å; L335-F339 HydrophobicContact CG-CE2 3.92Å; F339-P341 WeakPolarHBondContact O-CD 3.34Å; F339-E347 VanDerWaalsContact CA-OE2 3.28Å; F339-E347 WeakPolarHBondContact CA-OE2 3.22Å; F339-F400 HydrophobicContact CZ-CD1 4.1Å; F339-F400 HydrophobicContact CZ-CE1 4Å; F339-F415 HydrophobicContact CE1-CD1 4.45Å; F339-F415 AromaticContact CE2-CD1 3.89Å; F339-F415 HydrophobicContact CE2-CD1 3.89Å; F339-F415 AromaticContact CE2-CE1 3.77Å; F339-F415 HydrophobicContact CE2-CE1 3.77Å; F339-F415 AromaticContact CZ-CD1 3.74Å; F339-F415 HydrophobicContact CZ-CD1 3.74Å; F339-F415 HydrophobicContact CZ-CE1 4.07Å; F339-E416 HydrophobicContact CB-CG 4.08Å; F339-E416 HydrophobicContact CD1-CG 3.2Å; F339-E416 WeakPolarHBondContact CD1-OE1 3.45Å; F339-E416 HydrophobicContact CE1-CG 3.71Å; F339-E416 WeakPolarHBondContact CE1-OE1 3.28Å; F339-E416 HydrophobicContact CG-CG 3.8Å; F339-V420 HydrophobicContact CB-CG1 4.22Å; F339-V420 HydrophobicContact CD2-CG2 3.95Å; F339-V420 HydrophobicContact CE2-CG2 4.37Å; F339-V420 HydrophobicContact CG-CG2 4.33Å |
| 340 | E | 85.2 | Confident | 86.5 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | trans | -85.6 | 112.1 | 175 | 175.4 | 47.1 | -116.4 | 0 | 0 | 110 | Q342 A345 E347 | E340-Q342 HydrophobicContact CG-CB 4.29Å; E340-Q342 PolarHBondContact O-N 3.02Å; E340-Q342 WeakPolarHBondContact OE1-CB 3.09Å; E340-Q342 WeakPolarHBondContact OE1-CG 3.24Å; E340-Q342 PolarHBondContact OE1-N 2.73Å; E340-A345 HydrophobicContact CG-CB 3.79Å; E340-E347 PolarHBondContact N-OE2 2.8Å | ||
| 341 | P | 87.8 | Confident | 86.2 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | trans | -73.4 | -8.3 | -175.6 | 31.8 | -39.6 | 0 | 0 | 0 | 114.6 | F339 I343 G421 E422 M423 W466 | F339-P341 WeakPolarHBondContact O-CD 3.34Å; P341-I343 PolarHBondContact O-N 2.83Å; P341-G421 WeakPolarHBondContact CB-O 3.48Å; P341-E422 CarbonylContact O-C 3.58Å; P341-E422 VanDerWaalsContact O-CA 3.3Å; P341-E422 WeakPolarHBondContact O-CA 3.44Å; P341-M423 HydrophobicContact CB-CE 4Å; P341-M423 HydrophobicContact CB-CG 4.16Å; P341-M423 HydrophobicContact CB-SD 4.49Å; P341-M423 HydrophobicContact CG-CE 4.08Å; P341-M423 HydrophobicContact CG-SD 4.42Å; P341-M423 WeakPolarHBondContact O-CG 3.28Å; P341-M423 PolarHBondContact O-N 3.46Å; P341-W466 HydrophobicContact CB-CH2 3.58Å; P341-W466 HydrophobicContact CB-CZ2 4.17Å; P341-W466 HydrophobicContact CB-CZ3 4.3Å; P341-W466 HydrophobicContact CG-CH2 4.2Å; P341-W466 HydrophobicContact CG-CZ2 4.29Å | ||
| 342 | Q | 85.4 | Confident | 86 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 107.8 | -177.3 | -66.3 | -94.4 | 49.5 | 0 | 0 | 113 | E340 G344 A345 M423 K469 | E340-Q342 HydrophobicContact CG-CB 4.29Å; E340-Q342 PolarHBondContact O-N 3.02Å; E340-Q342 WeakPolarHBondContact OE1-CB 3.09Å; E340-Q342 WeakPolarHBondContact OE1-CG 3.24Å; E340-Q342 PolarHBondContact OE1-N 2.73Å; Q342-G344 PolarHBondContact O-N 3.35Å; Q342-A345 HydrophobicContact CB-CB 4.33Å; Q342-A345 WeakPolarHBondContact O-CB 3.33Å; Q342-A345 PolarHBondContact O-N 3.39Å; Q342-M423 HydrophobicContact CG-CG 4.49Å; Q342-K469 VanDerWaalsContact CD-NZ 3.3Å |
| 343 | I | 81.3 | Confident | 85.8 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.3 | 173.7 | -64.6 | -176.6 | 0 | 0 | 0 | 109.8 | P341 D411 E422 M423 E424 | P341-I343 PolarHBondContact O-N 2.83Å; I343-D411 VanDerWaalsContact CG2-OD2 3.25Å; I343-D411 WeakPolarHBondContact CG2-OD2 3.41Å; I343-E422 HydrophobicContact CD1-CB 3.9Å; I343-E422 HydrophobicContact CG1-CB 3.89Å; I343-M423 PolarHBondContact N-O 3.41Å; I343-E424 HydrophobicContact CB-CB 4.04Å; I343-E424 HydrophobicContact CB-CG 4.16Å; I343-E424 HydrophobicContact CD1-CB 4.23Å; I343-E424 HydrophobicContact CG2-CB 4.45Å; I343-E424 HydrophobicContact CG2-CG 4.19Å |
| 344 | G | 75.9 | Confident | 85.8 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -5.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q342 D411 | Q342-G344 PolarHBondContact O-N 3.35Å; G344-D411 PolarHBondContact N-OD2 3.19Å |
| 345 | A | 79.5 | Confident | 85.8 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -83 | 131.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E340 Q342 E347 | E340-A345 HydrophobicContact CG-CB 3.79Å; Q342-A345 HydrophobicContact CB-CB 4.33Å; Q342-A345 WeakPolarHBondContact O-CB 3.33Å; Q342-A345 PolarHBondContact O-N 3.39Å; A345-E347 PolarHBondContact O-N 3.23Å |
| 346 | P | 76.5 | Confident | 85.9 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 122.9 | 178 | 28.4 | -33.2 | 0 | 0 | 0 | 109.9 | V409 | P346-V409 HydrophobicContact CB-CG1 4.31Š|
| 347 | E | 78 | Confident | 86.1 | Confident | 28 Ų | 28 | 67 Ų | 67 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 150.4 | 177.9 | -175.7 | 50.6 | -94.2 | 0 | 0 | 110.4 | F339 E340 A345 K353 | F339-E347 VanDerWaalsContact CA-OE2 3.28Å; F339-E347 WeakPolarHBondContact CA-OE2 3.22Å; E340-E347 PolarHBondContact N-OE2 2.8Å; A345-E347 PolarHBondContact O-N 3.23Å; E347-K353 IonicContact OE1-NZ 2.77Å; E347-K353 PolarHBondContact OE1-NZ 2.79Å; E347-K353 IonicContact OE2-NZ 2.64Å; E347-K353 PolarHBondContact OE2-NZ 2.95Å |
| 348 | R | 76.3 | Confident | 86.6 | Confident | 210 Ų | 210 | 64.8 Ų | 64.8 | 79% | 0.792 | 35% | 0.348 | S | S | * | . | trans | -130.3 | 77.2 | -172.4 | -69.2 | -171.6 | 177.1 | -165.8 | -1.3 | 110.8 | G350 | R348-G350 PolarHBondContact O-N 2.83Š| ||
| 349 | T | 77.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | trans | -73.3 | 69.6 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | K353 A354 I357 E402 | T349-K353 HydrophobicContact CG2-CD 4.34Å; T349-K353 PolarHBondContact OG1-NZ 3.19Å; T349-A354 HydrophobicContact CG2-CB 4.3Å; T349-I357 HydrophobicContact CG2-CD1 4.25Å; T349-E402 VanDerWaalsContact CB-OE1 3.31Å; T349-E402 WeakPolarHBondContact CB-OE1 3.42Å; T349-E402 PolarHBondContact OG1-OE1 2.79Å | ||
| 350 | G | 84.8 | Confident | 87.2 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | trans | -72.8 | 167.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R348 L352 K353 A354 | R348-G350 PolarHBondContact O-N 2.83Å; G350-L352 VanDerWaalsContact C-N 3.27Å; G350-L352 PolarHBondContact O-N 3.47Å; G350-K353 PolarHBondContact O-N 2.79Å; G350-A354 PolarHBondContact O-N 3.49Å; G350-A354 VanDerWaalsContact O-N 3.12Å | ||
| 351 | K | 90 | Very high | 87.8 | Confident | 203 Ų | 203 | 60.2 Ų | 60.2 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -45.3 | -43.4 | -171 | -65.1 | -174.7 | 178 | -177.2 | 0 | 114.6 | A355 | K351-A355 WeakPolarHBondContact O-CB 3.21Å; K351-A355 PolarHBondContact O-N 3.45Å |
| 352 | L | 92.3 | Very high | 88.3 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 59% | 0.592 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | -179.8 | -173.8 | 65.3 | 0 | 0 | 0 | 113.1 | M338 G350 R356 | M338-L352 HydrophobicContact CE-CB 4.28Å; M338-L352 HydrophobicContact CE-CD2 4.03Å; M338-L352 HydrophobicContact CE-CG 3.87Å; G350-L352 VanDerWaalsContact C-N 3.27Å; G350-L352 PolarHBondContact O-N 3.47Å; L352-R356 WeakPolarHBondContact O-CG 3.47Å; L352-R356 PolarHBondContact O-N 2.91Å; L352-R356 VanDerWaalsContact O-N 3.12Å |
| 353 | K | 92.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 177.6 | -167.5 | -172.7 | 176.9 | -166 | 0 | 110.3 | M338 E347 T349 G350 A355 R356 I357 | M338-K353 HydrophobicContact CB-CG 4.14Å; M338-K353 HydrophobicContact CE-CB 3.91Å; M338-K353 HydrophobicContact CE-CG 4.39Å; M338-K353 WeakPolarHBondContact O-CD 3.33Å; M338-K353 WeakPolarHBondContact O-CE 3.35Å; E347-K353 IonicContact OE1-NZ 2.77Å; E347-K353 PolarHBondContact OE1-NZ 2.79Å; E347-K353 IonicContact OE2-NZ 2.64Å; E347-K353 PolarHBondContact OE2-NZ 2.95Å; T349-K353 HydrophobicContact CG2-CD 4.34Å; T349-K353 PolarHBondContact OG1-NZ 3.19Å; G350-K353 PolarHBondContact O-N 2.79Å; K353-A355 VanDerWaalsContact C-N 3.34Å; K353-A355 PolarHBondContact O-N 3.5Å; K353-R356 PolarHBondContact O-N 2.78Å; K353-R356 VanDerWaalsContact O-N 3.09Å; K353-I357 HydrophobicContact CG-CD1 4.26Å; K353-I357 WeakPolarHBondContact O-CG1 3.44Å; K353-I357 PolarHBondContact O-N 3.06Å |
| 354 | A | 93 | Very high | 89.6 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T349 G350 R356 I357 N358 | T349-A354 HydrophobicContact CG2-CB 4.3Å; G350-A354 PolarHBondContact O-N 3.49Å; G350-A354 VanDerWaalsContact O-N 3.12Å; A354-R356 VanDerWaalsContact C-N 3.32Å; A354-R356 PolarHBondContact O-N 3.23Å; A354-I357 PolarHBondContact O-N 2.88Å; A354-N358 PolarHBondContact O-N 2.77Å |
| 355 | A | 94.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K351 K353 N359 | K351-A355 WeakPolarHBondContact O-CB 3.21Å; K351-A355 PolarHBondContact O-N 3.45Å; K353-A355 VanDerWaalsContact C-N 3.34Å; K353-A355 PolarHBondContact O-N 3.5Å; A355-N359 WeakPolarHBondContact O-CB 3.31Å; A355-N359 PolarHBondContact O-N 2.91Å |
| 356 | R | 94.9 | Very high | 91.4 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.9 | -33.3 | 176.7 | -68.9 | -82 | -175.4 | -154.8 | -9.5 | 112.7 | L335 M338 L352 K353 A354 F360 | L335-R356 HydrophobicContact CD1-CB 4.05Å; M338-R356 HydrophobicContact SD-CB 4.01Å; M338-R356 HydrophobicContact SD-CG 3.68Å; L352-R356 WeakPolarHBondContact O-CG 3.47Å; L352-R356 PolarHBondContact O-N 2.91Å; L352-R356 VanDerWaalsContact O-N 3.12Å; K353-R356 PolarHBondContact O-N 2.78Å; K353-R356 VanDerWaalsContact O-N 3.09Å; A354-R356 VanDerWaalsContact C-N 3.32Å; A354-R356 PolarHBondContact O-N 3.23Å; R356-F360 WeakPolarHBondContact O-CB 3.23Å; R356-F360 PolarHBondContact O-N 2.89Å |
| 357 | I | 96.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -51.4 | 170.6 | -68.2 | 167.2 | 0 | 0 | 0 | 109.7 | L335 T349 K353 A354 N359 F360 I361 K396 F400 | L335-I357 HydrophobicContact CD1-CG1 3.73Å; L335-I357 HydrophobicContact CD2-CG1 4.37Å; T349-I357 HydrophobicContact CG2-CD1 4.25Å; K353-I357 HydrophobicContact CG-CD1 4.26Å; K353-I357 WeakPolarHBondContact O-CG1 3.44Å; K353-I357 PolarHBondContact O-N 3.06Å; A354-I357 PolarHBondContact O-N 2.88Å; I357-N359 PolarHBondContact O-N 3.22Å; I357-F360 PolarHBondContact O-N 2.9Å; I357-F360 VanDerWaalsContact O-N 3.14Å; I357-I361 WeakPolarHBondContact O-CG1 3.1Å; I357-I361 PolarHBondContact O-N 2.83Å; I357-K396 HydrophobicContact CG2-CG 4.49Å; I357-F400 HydrophobicContact CB-CD1 4.48Å; I357-F400 HydrophobicContact CD1-CD1 3.8Å; I357-F400 HydrophobicContact CD1-CE1 4.39Å; I357-F400 HydrophobicContact CD1-CG 4.38Å; I357-F400 HydrophobicContact CG1-CD1 3.81Å; I357-F400 HydrophobicContact CG1-CE1 3.91Å; I357-F400 HydrophobicContact CG1-CG 4.47Å; I357-F400 HydrophobicContact CG2-CB 4.26Å; I357-F400 HydrophobicContact CG2-CD1 3.86Å; I357-F400 HydrophobicContact CG2-CD2 3.84Å; I357-F400 HydrophobicContact CG2-CE1 4.1Å; I357-F400 HydrophobicContact CG2-CE2 4.1Å; I357-F400 HydrophobicContact CG2-CG 3.71Å; I357-F400 HydrophobicContact CG2-CZ 4.22Å |
| 358 | N | 96.1 | Very high | 93.3 | Very high | 64 Ų | 64 | 65.7 Ų | 65.7 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.3 | -52.2 | 177.2 | -69.8 | -7.6 | 0 | 0 | 0 | 111.3 | A354 F360 I361 D362 K396 | A354-N358 PolarHBondContact O-N 2.77Å; N358-F360 VanDerWaalsContact C-N 3.27Å; N358-F360 PolarHBondContact O-N 3.12Å; N358-I361 CarbonylContact O-C 3.22Å; N358-I361 WeakPolarHBondContact O-CA 3.34Å; N358-I361 WeakPolarHBondContact O-CB 3.44Å; N358-I361 PolarHBondContact O-N 2.63Å; N358-D362 PolarHBondContact O-N 2.83Å; N358-K396 WeakPolarHBondContact OD1-CE 2.98Å; N358-K396 PolarHBondContact OD1-NZ 2.78Å |
| 359 | N | 96.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 55.7 Ų | 55.7 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -32.9 | 177.3 | 168.5 | 96.3 | 0 | 0 | 0 | 113.7 | A355 I357 M363 | A355-N359 WeakPolarHBondContact O-CB 3.31Å; A355-N359 PolarHBondContact O-N 2.91Å; I357-N359 PolarHBondContact O-N 3.22Å; N359-M363 WeakPolarHBondContact O-CB 3.48Å; N359-M363 WeakPolarHBondContact O-CG 3.35Å; N359-M363 PolarHBondContact O-N 2.85Å |
| 360 | F | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.2 | -45 | 173.2 | 173.1 | -108.2 | 0 | 0 | 0 | 111.3 | A331 F332 L335 R356 I357 N358 M363 V364 F400 F415 P482 M486 | A331-F360 HydrophobicContact CB-CB 4.5Å; A331-F360 HydrophobicContact CB-CD2 4.15Å; F332-F360 HydrophobicContact CB-CD2 4.24Å; F332-F360 HydrophobicContact CB-CE2 3.87Å; F332-F360 HydrophobicContact CD2-CE2 4.09Å; F332-F360 HydrophobicContact CD2-CZ 4.22Å; F332-F360 HydrophobicContact CG-CE2 4.49Å; L335-F360 HydrophobicContact CD2-CB 3.57Å; L335-F360 HydrophobicContact CD2-CD1 3.83Å; L335-F360 HydrophobicContact CD2-CG 3.74Å; R356-F360 WeakPolarHBondContact O-CB 3.23Å; R356-F360 PolarHBondContact O-N 2.89Å; I357-F360 PolarHBondContact O-N 2.9Å; I357-F360 VanDerWaalsContact O-N 3.14Å; N358-F360 VanDerWaalsContact C-N 3.27Å; N358-F360 PolarHBondContact O-N 3.12Å; F360-M363 PolarHBondContact O-N 3.47Å; F360-V364 HydrophobicContact CD2-CG1 4.19Å; F360-V364 HydrophobicContact CE1-CG1 4.28Å; F360-V364 HydrophobicContact CE2-CG1 3.63Å; F360-V364 HydrophobicContact CZ-CG1 3.69Å; F360-V364 PolarHBondContact O-N 2.99Å; F360-F400 HydrophobicContact CD1-CE2 4.39Å; F360-F400 AromaticContact CD1-CZ 3.91Å; F360-F400 HydrophobicContact CD1-CZ 3.91Å; F360-F400 HydrophobicContact CE1-CZ 4.19Å; F360-F415 HydrophobicContact CD1-CE2 4.33Å; F360-F415 HydrophobicContact CE1-CD2 4.43Å; F360-F415 AromaticContact CE1-CE2 3.69Å; F360-F415 HydrophobicContact CE1-CE2 3.69Å; F360-F415 HydrophobicContact CE1-CZ 4.41Å; F360-F415 HydrophobicContact CZ-CE2 4.1Å; F360-P482 HydrophobicContact CE2-CB 4.02Å; F360-P482 HydrophobicContact CZ-CB 4.03Å; F360-M486 HydrophobicContact CE1-SD 4.26Å |
| 361 | I | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 175.4 | -70.2 | -73.8 | 0 | 0 | 0 | 111.1 | I357 N358 M363 V364 V365 K392 L395 K396 F400 M486 | I357-I361 WeakPolarHBondContact O-CG1 3.1Å; I357-I361 PolarHBondContact O-N 2.83Å; N358-I361 CarbonylContact O-C 3.22Å; N358-I361 WeakPolarHBondContact O-CA 3.34Å; N358-I361 WeakPolarHBondContact O-CB 3.44Å; N358-I361 PolarHBondContact O-N 2.63Å; I361-M363 PolarHBondContact O-N 3.1Å; I361-V364 WeakPolarHBondContact O-CG2 3.04Å; I361-V364 PolarHBondContact O-N 2.72Å; I361-V364 VanDerWaalsContact O-N 3.16Å; I361-V365 HydrophobicContact CG2-CG1 4.44Å; I361-V365 WeakPolarHBondContact O-CG2 3.28Å; I361-V365 PolarHBondContact O-N 3.35Å; I361-K392 HydrophobicContact CG2-CB 3.64Å; I361-K392 HydrophobicContact CG2-CD 4.42Å; I361-K392 HydrophobicContact CG2-CG 3.69Å; I361-L395 HydrophobicContact CD1-CB 3.93Å; I361-K396 HydrophobicContact CD1-CG 4.28Å; I361-K396 HydrophobicContact CG1-CG 3.87Å; I361-F400 HydrophobicContact CD1-CD2 4.49Å; I361-F400 HydrophobicContact CD1-CE2 3.99Å; I361-F400 HydrophobicContact CG1-CE2 4.29Å; I361-M486 HydrophobicContact CD1-CE 4Å |
| 362 | D | 97.2 | Very high | 96.1 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -28.7 | 176.7 | -73.8 | -48.4 | 0 | 0 | 0 | 113.6 | N358 K366 K392 | N358-D362 PolarHBondContact O-N 2.83Å; D362-K366 WeakPolarHBondContact O-CD 3.26Å; D362-K366 WeakPolarHBondContact O-CE 3.27Å; D362-K366 WeakPolarHBondContact O-CG 3.31Å; D362-K366 PolarHBondContact O-NZ 2.91Å; D362-K392 WeakPolarHBondContact OD1-CD 3.22Å; D362-K392 WeakPolarHBondContact OD1-CE 3.26Å; D362-K392 IonicContact OD1-NZ 3.09Å; D362-K392 PolarHBondContact OD1-NZ 3.49Å |
| 363 | M | 96.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 42 Ų | 42 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -83.5 | -36.6 | 177.7 | -74.8 | -69.4 | -136.1 | 0 | 0 | 112.5 | P327 T328 A331 N359 F360 I361 | P327-M363 HydrophobicContact CB-CE 3.88Å; P327-M363 HydrophobicContact CB-SD 4.23Å; T328-M363 HydrophobicContact CG2-CB 4.19Å; T328-M363 WeakPolarHBondContact CG2-O 3.3Å; A331-M363 HydrophobicContact CB-CB 4.46Å; A331-M363 HydrophobicContact CB-CG 4.38Å; N359-M363 WeakPolarHBondContact O-CB 3.48Å; N359-M363 WeakPolarHBondContact O-CG 3.35Å; N359-M363 PolarHBondContact O-N 2.85Å; F360-M363 PolarHBondContact O-N 3.47Å; I361-M363 PolarHBondContact O-N 3.1Å |
| 364 | V | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.2 | -38.1 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | T328 F360 I361 K366 T367 M370 E483 M486 | T328-V364 HydrophobicContact CG2-CG1 4.03Å; F360-V364 HydrophobicContact CD2-CG1 4.19Å; F360-V364 HydrophobicContact CE1-CG1 4.28Å; F360-V364 HydrophobicContact CE2-CG1 3.63Å; F360-V364 HydrophobicContact CZ-CG1 3.69Å; F360-V364 PolarHBondContact O-N 2.99Å; I361-V364 WeakPolarHBondContact O-CG2 3.04Å; I361-V364 PolarHBondContact O-N 2.72Å; I361-V364 VanDerWaalsContact O-N 3.16Å; V364-K366 PolarHBondContact O-N 3.04Å; V364-T367 WeakPolarHBondContact O-CB 3.3Å; V364-T367 VanDerWaalsContact O-CG2 3.3Å; V364-T367 WeakPolarHBondContact O-CG2 3.01Å; V364-T367 PolarHBondContact O-N 2.8Å; V364-T367 PolarHBondContact O-OG1 2.88Å; V364-M370 HydrophobicContact CB-CG 4.07Å; V364-M370 HydrophobicContact CG2-CE 4.43Å; V364-M370 HydrophobicContact CG2-CG 4.41Å; V364-M370 VanDerWaalsContact O-CB 3.28Å; V364-M370 WeakPolarHBondContact O-CB 3.46Å; V364-M370 WeakPolarHBondContact O-CG 3Å; V364-E483 HydrophobicContact CB-CB 3.99Å; V364-E483 HydrophobicContact CG1-CB 3.94Å; V364-M486 HydrophobicContact CG2-SD 4.21Å |
| 365 | V | 96.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -30.5 | -178.7 | -63.3 | 0 | 0 | 0 | 0 | 113 | I361 T367 N371 E388 F391 K392 L395 | I361-V365 HydrophobicContact CG2-CG1 4.44Å; I361-V365 WeakPolarHBondContact O-CG2 3.28Å; I361-V365 PolarHBondContact O-N 3.35Å; V365-T367 PolarHBondContact O-N 2.6Å; V365-T367 VanDerWaalsContact O-N 3.17Å; V365-N371 PolarHBondContact O-ND2 3.37Å; V365-N371 VanDerWaalsContact O-ND2 3.1Å; V365-E388 HydrophobicContact CG2-CG 4.44Å; V365-F391 HydrophobicContact CG1-CD1 4.15Å; V365-F391 HydrophobicContact CG1-CE1 4.11Å; V365-K392 HydrophobicContact CG1-CG 4.15Å; V365-K392 HydrophobicContact CG2-CG 4.32Å; V365-L395 HydrophobicContact CG1-CD1 3.68Å |
| 366 | K | 96.3 | Very high | 96.5 | Very high | 140 Ų | 140 | 46.3 Ų | 46.3 | 61% | 0.609 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -8.4 | 175.7 | -68.1 | 170.7 | -170.6 | 161.6 | 0 | 114.1 | D362 V364 | D362-K366 WeakPolarHBondContact O-CD 3.26Å; D362-K366 WeakPolarHBondContact O-CE 3.27Å; D362-K366 WeakPolarHBondContact O-CG 3.31Å; D362-K366 PolarHBondContact O-NZ 2.91Å; V364-K366 PolarHBondContact O-N 3.04Å |
| 367 | T | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -81.2 | 151.1 | -178.5 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | T328 V364 V365 V369 M370 N371 E483 | T328-T367 HydrophobicContact CG2-CG2 3.88Å; V364-T367 WeakPolarHBondContact O-CB 3.3Å; V364-T367 VanDerWaalsContact O-CG2 3.3Å; V364-T367 WeakPolarHBondContact O-CG2 3.01Å; V364-T367 PolarHBondContact O-N 2.8Å; V364-T367 PolarHBondContact O-OG1 2.88Å; V365-T367 PolarHBondContact O-N 2.6Å; V365-T367 VanDerWaalsContact O-N 3.17Å; T367-V369 PolarHBondContact O-N 3.27Å; T367-M370 PolarHBondContact O-N 3.02Å; T367-M370 WeakPolarHBondContact OG1-CG 3.31Å; T367-M370 PolarHBondContact OG1-N 3.12Å; T367-M370 VanDerWaalsContact OG1-N 3.13Å; T367-N371 PolarHBondContact O-N 2.83Å; T367-N371 VanDerWaalsContact O-N 3.09Å; T367-N371 PolarHBondContact O-ND2 2.91Å; T367-E483 HydrophobicContact CG2-CG 3.94Å; T367-E483 WeakPolarHBondContact CG2-OE1 3.46Å |
| 368 | K | 97.1 | Very high | 96.2 | Very high | 155 Ų | 155 | 44.8 Ų | 44.8 | 67% | 0.674 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.3 | -29.5 | 171.9 | -68.3 | -176.9 | 179.1 | -179.5 | 0 | 111.9 | A272 L372 | A272-K368 HydrophobicContact CB-CB 3.83Å; K368-L372 WeakPolarHBondContact O-CG 3.31Å; K368-L372 PolarHBondContact O-N 3.2Å |
| 369 | V | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -52 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | M269 A272 D273 T367 N371 L372 L373 E483 A487 | M269-V369 HydrophobicContact CB-CG1 4.29Å; M269-V369 HydrophobicContact CG-CG1 4.18Å; A272-V369 HydrophobicContact CB-CG2 4.18Å; D273-V369 HydrophobicContact CB-CG2 4.07Å; T367-V369 PolarHBondContact O-N 3.27Å; V369-N371 VanDerWaalsContact C-N 3.32Å; V369-N371 PolarHBondContact O-N 3.27Å; V369-L372 WeakPolarHBondContact O-CB 3.41Å; V369-L372 PolarHBondContact O-N 3.12Å; V369-L373 PolarHBondContact O-N 2.79Å; V369-E483 HydrophobicContact CB-CG 4.29Å; V369-A487 HydrophobicContact CG1-CB 3.82Å |
| 370 | M | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.1 | -26.3 | 179.8 | -63.9 | -60 | -77 | 0 | 0 | 112.8 | V364 T367 L373 K374 F391 L395 E483 M486 A487 | V364-M370 HydrophobicContact CB-CG 4.07Å; V364-M370 HydrophobicContact CG2-CE 4.43Å; V364-M370 HydrophobicContact CG2-CG 4.41Å; V364-M370 VanDerWaalsContact O-CB 3.28Å; V364-M370 WeakPolarHBondContact O-CB 3.46Å; V364-M370 WeakPolarHBondContact O-CG 3Å; T367-M370 PolarHBondContact O-N 3.02Å; T367-M370 WeakPolarHBondContact OG1-CG 3.31Å; T367-M370 PolarHBondContact OG1-N 3.12Å; T367-M370 VanDerWaalsContact OG1-N 3.13Å; M370-L373 HydrophobicContact CE-CD2 3.57Å; M370-L373 WeakPolarHBondContact O-CB 3.48Å; M370-L373 PolarHBondContact O-N 3.15Å; M370-L373 HydrophobicContact SD-CD2 3.82Å; M370-K374 PolarHBondContact O-N 2.86Å; M370-F391 HydrophobicContact CE-CZ 4.44Å; M370-L395 HydrophobicContact CE-CD1 3.5Å; M370-L395 VanDerWaalsContact CE-CD1 3.5Å; M370-L395 HydrophobicContact CE-CD2 3.68Å; M370-L395 HydrophobicContact CE-CG 4.27Å; M370-E483 HydrophobicContact CG-CB 4.14Å; M370-E483 HydrophobicContact SD-CB 4.44Å; M370-M486 HydrophobicContact CE-SD 4.23Å; M370-A487 HydrophobicContact SD-CB 4.04Å |
| 371 | N | 95.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 40% | 0.401 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 169.5 | -83.4 | -79.1 | 0 | 0 | 0 | 112.7 | V365 T367 V369 L373 K375 | V365-N371 PolarHBondContact O-ND2 3.37Å; V365-N371 VanDerWaalsContact O-ND2 3.1Å; T367-N371 PolarHBondContact O-N 2.83Å; T367-N371 VanDerWaalsContact O-N 3.09Å; T367-N371 PolarHBondContact O-ND2 2.91Å; V369-N371 VanDerWaalsContact C-N 3.32Å; V369-N371 PolarHBondContact O-N 3.27Å; N371-L373 VanDerWaalsContact C-N 3.33Å; N371-K375 WeakPolarHBondContact O-CG 3.4Å; N371-K375 PolarHBondContact O-N 2.77Å |
| 372 | L | 97.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 169.7 | -73.6 | 167.4 | 0 | 0 | 0 | 111.5 | L268 M269 A272 K368 V369 F376 | L268-L372 HydrophobicContact CB-CD1 4Å; L268-L372 HydrophobicContact CB-CD2 4.48Å; M269-L372 HydrophobicContact CE-CB 4.02Å; M269-L372 HydrophobicContact CG-CB 4.03Å; M269-L372 HydrophobicContact CG-CD1 4.05Å; A272-L372 HydrophobicContact CB-CD1 3.81Å; K368-L372 WeakPolarHBondContact O-CG 3.31Å; K368-L372 PolarHBondContact O-N 3.2Å; V369-L372 WeakPolarHBondContact O-CB 3.41Å; V369-L372 PolarHBondContact O-N 3.12Å; L372-F376 WeakPolarHBondContact O-CB 3.39Å; L372-F376 PolarHBondContact O-N 2.97Å |
| 373 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -55.2 | 174.6 | -179.5 | 67.3 | 0 | 0 | 0 | 111.4 | M269 V369 M370 N371 K375 F376 L377 F391 L395 A487 T490 I491 | M269-L373 VanDerWaalsContact CE-CA 3.48Å; M269-L373 HydrophobicContact CE-CB 3.68Å; M269-L373 HydrophobicContact CE-CD1 4.24Å; M269-L373 VanDerWaalsContact CE-N 3.31Å; V369-L373 PolarHBondContact O-N 2.79Å; M370-L373 HydrophobicContact CE-CD2 3.57Å; M370-L373 WeakPolarHBondContact O-CB 3.48Å; M370-L373 PolarHBondContact O-N 3.15Å; M370-L373 HydrophobicContact SD-CD2 3.82Å; N371-L373 VanDerWaalsContact C-N 3.33Å; L373-K375 PolarHBondContact O-N 3.35Å; L373-F376 PolarHBondContact O-N 3.05Å; L373-F376 VanDerWaalsContact O-N 3.12Å; L373-L377 HydrophobicContact CD1-CD1 3.99Å; L373-L377 HydrophobicContact CD1-CD2 4.43Å; L373-L377 HydrophobicContact CD1-CG 4.07Å; L373-L377 HydrophobicContact CG-CD1 3.94Å; L373-L377 HydrophobicContact CG-CG 4.34Å; L373-L377 WeakPolarHBondContact O-CG 3.16Å; L373-L377 PolarHBondContact O-N 3.08Å; L373-F391 HydrophobicContact CD2-CZ 4.27Å; L373-L395 HydrophobicContact CD2-CD2 4.39Å; L373-A487 HydrophobicContact CB-CB 4.3Å; L373-A487 HydrophobicContact CD1-CB 4.4Å; L373-A487 HydrophobicContact CD2-CB 4.2Å; L373-T490 HydrophobicContact CD1-CG2 4.1Å; L373-T490 HydrophobicContact CD2-CG2 4.14Å; L373-I491 HydrophobicContact CD1-CD1 3.94Å; L373-I491 HydrophobicContact CD1-CG1 3.53Å |
| 374 | K | 95.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.6 | -50.5 | -178.9 | -178.3 | 169.3 | 174 | 177.2 | 0 | 111.3 | M370 F376 L377 Q378 L383 E386 S387 F391 | M370-K374 PolarHBondContact O-N 2.86Å; K374-F376 VanDerWaalsContact C-N 3.33Å; K374-F376 PolarHBondContact O-N 3.22Å; K374-L377 PolarHBondContact O-N 2.71Å; K374-Q378 HydrophobicContact CG-CG 4.43Å; K374-Q378 WeakPolarHBondContact O-CB 3.45Å; K374-Q378 WeakPolarHBondContact O-CG 3.44Å; K374-Q378 PolarHBondContact O-N 2.97Å; K374-L383 HydrophobicContact CG-CD2 3.96Å; K374-E386 PolarHBondContact NZ-O 2.67Å; K374-S387 PolarHBondContact NZ-O 3.07Å; K374-F391 HydrophobicContact CB-CD1 4.32Å; K374-F391 HydrophobicContact CB-CE1 3.87Å; K374-F391 HydrophobicContact CB-CE2 4.21Å; K374-F391 HydrophobicContact CB-CZ 3.8Å; K374-F391 HydrophobicContact CD-CB 4.29Å; K374-F391 HydrophobicContact CD-CD1 3.87Å; K374-F391 HydrophobicContact CD-CE1 4.29Å; K374-F391 HydrophobicContact CD-CG 3.99Å; K374-F391 HydrophobicContact CG-CD1 4.41Å; K374-F391 HydrophobicContact CG-CD2 4.5Å; K374-F391 HydrophobicContact CG-CE1 4.44Å; K374-F391 HydrophobicContact CG-CG 4.43Å; K374-F391 HydrophobicContact CG-CZ 4.49Å |
| 375 | K | 93.9 | Very high | 92.1 | Very high | 145 Ų | 145 | 57.7 Ų | 57.7 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | 178.4 | -70 | -177.2 | 179 | -169.9 | 0 | 113.2 | N371 L373 R379 | N371-K375 WeakPolarHBondContact O-CG 3.4Å; N371-K375 PolarHBondContact O-N 2.77Å; L373-K375 PolarHBondContact O-N 3.35Å; K375-R379 WeakPolarHBondContact O-CB 3.39Å; K375-R379 PolarHBondContact O-N 3.49Å |
| 376 | F | 94.5 | Very high | 91 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 177.4 | -178.8 | -89.5 | 0 | 0 | 0 | 112.2 | A257 D261 I262 V265 L372 L373 K374 R379 F380 I491 L495 | A257-F376 HydrophobicContact CB-CZ 4.16Å; D261-F376 HydrophobicContact CB-CE2 4.09Å; D261-F376 HydrophobicContact CB-CZ 4.48Å; I262-F376 HydrophobicContact CG1-CZ 4.38Å; V265-F376 HydrophobicContact CB-CD2 3.58Å; V265-F376 HydrophobicContact CB-CE2 3.81Å; V265-F376 HydrophobicContact CB-CG 4.29Å; V265-F376 HydrophobicContact CG1-CD2 3.61Å; V265-F376 HydrophobicContact CG1-CE1 4.43Å; V265-F376 HydrophobicContact CG1-CE2 3.46Å; V265-F376 VanDerWaalsContact CG1-CE2 3.46Å; V265-F376 HydrophobicContact CG1-CG 4.15Å; V265-F376 HydrophobicContact CG1-CZ 3.92Å; V265-F376 HydrophobicContact CG2-CB 4.01Å; V265-F376 HydrophobicContact CG2-CD2 3.71Å; V265-F376 HydrophobicContact CG2-CE2 4.42Å; V265-F376 HydrophobicContact CG2-CG 4Å; L372-F376 WeakPolarHBondContact O-CB 3.39Å; L372-F376 PolarHBondContact O-N 2.97Å; L373-F376 PolarHBondContact O-N 3.05Å; L373-F376 VanDerWaalsContact O-N 3.12Å; K374-F376 VanDerWaalsContact C-N 3.33Å; K374-F376 PolarHBondContact O-N 3.22Å; F376-R379 PolarHBondContact O-N 2.9Å; F376-F380 HydrophobicContact CD1-CD2 4.38Å; F376-F380 HydrophobicContact CD2-CD2 4.3Å; F376-F380 HydrophobicContact CD2-CE2 4.02Å; F376-F380 HydrophobicContact CE1-CD2 4.13Å; F376-F380 HydrophobicContact CE1-CE2 4.43Å; F376-F380 HydrophobicContact CE2-CD2 4.07Å; F376-F380 AromaticContact CE2-CE2 3.6Å; F376-F380 HydrophobicContact CE2-CE2 3.6Å; F376-F380 HydrophobicContact CG-CD2 4.46Å; F376-F380 AromaticContact CZ-CD2 3.98Å; F376-F380 HydrophobicContact CZ-CD2 3.98Å; F376-F380 AromaticContact CZ-CE2 3.82Å; F376-F380 HydrophobicContact CZ-CE2 3.82Å; F376-F380 WeakPolarHBondContact O-CD2 3.47Å; F376-F380 PolarHBondContact O-N 3.17Å; F376-I491 HydrophobicContact CD1-CD1 4.06Å; F376-I491 HydrophobicContact CD1-CG1 4.01Å; F376-I491 HydrophobicContact CE1-CD1 4.25Å; F376-I491 HydrophobicContact CE1-CG1 4.08Å; F376-I491 HydrophobicContact CE1-CG2 3.92Å; F376-I491 HydrophobicContact CZ-CG2 4.39Å; F376-L495 HydrophobicContact CE1-CD1 3.65Å; F376-L495 HydrophobicContact CZ-CD1 3.91Å |
| 377 | L | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 177.1 | -63 | 176.6 | 0 | 0 | 0 | 111.7 | L373 K374 F380 E381 L382 L383 W394 T490 L494 | L373-L377 HydrophobicContact CD1-CD1 3.99Å; L373-L377 HydrophobicContact CD1-CD2 4.43Å; L373-L377 HydrophobicContact CD1-CG 4.07Å; L373-L377 HydrophobicContact CG-CD1 3.94Å; L373-L377 HydrophobicContact CG-CG 4.34Å; L373-L377 WeakPolarHBondContact O-CG 3.16Å; L373-L377 PolarHBondContact O-N 3.08Å; K374-L377 PolarHBondContact O-N 2.71Å; L377-F380 CarbonylContact O-C 3.49Å; L377-F380 PolarHBondContact O-N 3.35Å; L377-E381 PolarHBondContact O-N 3.25Å; L377-L382 HydrophobicContact CB-CB 4.22Å; L377-L382 HydrophobicContact CD2-CB 4.06Å; L377-L382 HydrophobicContact CD2-CD1 3.78Å; L377-L382 PolarHBondContact O-N 3.07Å; L377-L383 HydrophobicContact CB-CB 3.62Å; L377-L383 HydrophobicContact CB-CD2 4.29Å; L377-L383 HydrophobicContact CD1-CB 4.48Å; L377-L383 HydrophobicContact CD1-CD2 4.43Å; L377-W394 HydrophobicContact CD1-CH2 3.46Å; L377-W394 VanDerWaalsContact CD1-CH2 3.46Å; L377-W394 HydrophobicContact CD1-CZ2 4.34Å; L377-W394 HydrophobicContact CD1-CZ3 3.75Å; L377-T490 HydrophobicContact CD1-CG2 4.26Å; L377-L494 HydrophobicContact CD1-CD1 4.48Å; L377-L494 HydrophobicContact CD2-CD1 3.65Å |
| 378 | Q | 91.2 | Very high | 90.2 | Very high | 68 Ų | 68 | 64.8 Ų | 64.8 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.6 | -72.6 | 174 | -39.5 | 0 | 0 | 112 | K374 F380 E381 L383 T385 | K374-Q378 HydrophobicContact CG-CG 4.43Å; K374-Q378 WeakPolarHBondContact O-CB 3.45Å; K374-Q378 WeakPolarHBondContact O-CG 3.44Å; K374-Q378 PolarHBondContact O-N 2.97Å; Q378-F380 PolarHBondContact O-N 3.38Å; Q378-F380 VanDerWaalsContact O-N 3.12Å; Q378-E381 PolarHBondContact O-N 3.16Å; Q378-E381 VanDerWaalsContact O-N 3.11Å; Q378-L383 HydrophobicContact CG-CD2 4.31Å; Q378-T385 PolarHBondContact NE2-O 2.89Å |
| 379 | R | 90.9 | Very high | 90 | Very high | 149 Ų | 149 | 62.2 Ų | 62.2 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.4 | -28.9 | 177.2 | 174.7 | 175.9 | 172.2 | -128.1 | -10.2 | 113.4 | D261 K375 F376 | D261-R379 IonicContact OD1-CZ 2.6Å; D261-R379 IonicContact OD1-NH1 2.71Å; D261-R379 PolarHBondContact OD1-NH1 2.68Å; D261-R379 IonicContact OD1-NH2 2.73Å; D261-R379 PolarHBondContact OD1-NH2 3.17Å; D261-R379 VanDerWaalsContact OD1-NH2 3.09Å; K375-R379 WeakPolarHBondContact O-CB 3.39Å; K375-R379 PolarHBondContact O-N 3.49Å; F376-R379 PolarHBondContact O-N 2.9Å |
| 380 | F | 90.2 | Very high | 89.7 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 20.5 | -177.9 | -69.1 | -65.3 | 0 | 0 | 0 | 113.3 | Q255 A257 D261 F376 L377 Q378 L382 | Q255-F380 VanDerWaalsContact O-CD1 3.26Å; Q255-F380 WeakPolarHBondContact O-CD1 3.43Å; A257-F380 HydrophobicContact CB-CD1 3.82Å; A257-F380 HydrophobicContact CB-CD2 3.64Å; A257-F380 HydrophobicContact CB-CE1 3.73Å; A257-F380 HydrophobicContact CB-CE2 3.55Å; A257-F380 HydrophobicContact CB-CG 3.78Å; A257-F380 HydrophobicContact CB-CZ 3.58Å; D261-F380 HydrophobicContact CB-CE2 4.19Å; D261-F380 HydrophobicContact CB-CZ 4.02Å; F376-F380 HydrophobicContact CD1-CD2 4.38Å; F376-F380 HydrophobicContact CD2-CD2 4.3Å; F376-F380 HydrophobicContact CD2-CE2 4.02Å; F376-F380 HydrophobicContact CE1-CD2 4.13Å; F376-F380 HydrophobicContact CE1-CE2 4.43Å; F376-F380 HydrophobicContact CE2-CD2 4.07Å; F376-F380 AromaticContact CE2-CE2 3.6Å; F376-F380 HydrophobicContact CE2-CE2 3.6Å; F376-F380 HydrophobicContact CG-CD2 4.46Å; F376-F380 AromaticContact CZ-CD2 3.98Å; F376-F380 HydrophobicContact CZ-CD2 3.98Å; F376-F380 AromaticContact CZ-CE2 3.82Å; F376-F380 HydrophobicContact CZ-CE2 3.82Å; F376-F380 WeakPolarHBondContact O-CD2 3.47Å; F376-F380 PolarHBondContact O-N 3.17Å; L377-F380 CarbonylContact O-C 3.49Å; L377-F380 PolarHBondContact O-N 3.35Å; Q378-F380 PolarHBondContact O-N 3.38Å; Q378-F380 VanDerWaalsContact O-N 3.12Å; F380-L382 HydrophobicContact CB-CD1 4.37Å; F380-L382 HydrophobicContact CB-CG 4.22Å; F380-L382 PolarHBondContact O-N 3.01Å |
| 381 | E | 86.7 | Confident | 89.5 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 18.4 | 177.3 | -59.1 | 177.5 | 175.5 | 0 | 0 | 113.9 | R252 Q254 L377 Q378 L383 | R252-E381 IonicContact CZ-OE1 3.74Å; R252-E381 IonicContact NH1-OE1 3.33Å; R252-E381 PolarHBondContact NH1-OE1 3.25Å; Q254-E381 PolarHBondContact NE2-OE2 3.18Å; L377-E381 PolarHBondContact O-N 3.25Å; Q378-E381 PolarHBondContact O-N 3.16Å; Q378-E381 VanDerWaalsContact O-N 3.11Å; E381-L383 VanDerWaalsContact C-N 3.32Å |
| 382 | L | 86.1 | Confident | 89.6 | Confident | 58 Ų | 58 | 64.1 Ų | 64.1 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -81.8 | -10.5 | 178.4 | -62.4 | 177.8 | 0 | 0 | 0 | 113.4 | L377 F380 L494 L495 | L377-L382 HydrophobicContact CB-CB 4.22Å; L377-L382 HydrophobicContact CD2-CB 4.06Å; L377-L382 HydrophobicContact CD2-CD1 3.78Å; L377-L382 PolarHBondContact O-N 3.07Å; F380-L382 HydrophobicContact CB-CD1 4.37Å; F380-L382 HydrophobicContact CB-CG 4.22Å; F380-L382 PolarHBondContact O-N 3.01Å; L382-L494 HydrophobicContact CD1-CB 4.27Å; L382-L495 HydrophobicContact CD1-CD2 3.85Å; L382-L495 HydrophobicContact CD1-CG 3.92Å |
| 383 | L | 86.3 | Confident | 89.4 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | trans | -148.9 | 113 | -178 | -175.3 | 77.7 | 0 | 0 | 0 | 108.5 | K374 L377 Q378 E381 T385 F391 W394 | K374-L383 HydrophobicContact CG-CD2 3.96Å; L377-L383 HydrophobicContact CB-CB 3.62Å; L377-L383 HydrophobicContact CB-CD2 4.29Å; L377-L383 HydrophobicContact CD1-CB 4.48Å; L377-L383 HydrophobicContact CD1-CD2 4.43Å; Q378-L383 HydrophobicContact CG-CD2 4.31Å; E381-L383 VanDerWaalsContact C-N 3.32Å; L383-T385 HydrophobicContact CD1-CG2 3.43Å; L383-T385 VanDerWaalsContact CD1-CG2 3.43Å; L383-T385 HydrophobicContact CD2-CG2 4.04Å; L383-T385 HydrophobicContact CG-CG2 3.54Å; L383-F391 HydrophobicContact CD1-CD2 4.23Å; L383-F391 HydrophobicContact CD2-CD2 3.48Å; L383-F391 VanDerWaalsContact CD2-CD2 3.48Å; L383-F391 HydrophobicContact CD2-CE2 3.79Å; L383-F391 HydrophobicContact CD2-CG 4.38Å; L383-W394 HydrophobicContact CD1-CB 4.35Å; L383-W394 HydrophobicContact CD1-CD2 3.53Å; L383-W394 HydrophobicContact CD1-CE3 3.9Å; L383-W394 HydrophobicContact CD1-CG 3.73Å; L383-W394 HydrophobicContact CD1-CZ2 4.32Å; L383-W394 HydrophobicContact CD1-CZ3 4.44Å | ||
| 384 | I | 78.2 | Confident | 89.2 | Confident | 159 Ų | 159 | 69 Ų | 69 | 82% | 0.815 | 33% | 0.327 | S | S | * | . | trans | -91.7 | -19.6 | -174.5 | -57.5 | 173.9 | 0 | 0 | 0 | 111.8 | E386 | I384-E386 PolarHBondContact O-N 3.34Š| ||
| 385 | T | 76.3 | Confident | 89.2 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -62.8 | 132.6 | 179.6 | 159.7 | 0 | 0 | 0 | 0 | 112.9 | Q378 L383 S387 D390 F391 | Q378-T385 PolarHBondContact NE2-O 2.89Å; L383-T385 HydrophobicContact CD1-CG2 3.43Å; L383-T385 VanDerWaalsContact CD1-CG2 3.43Å; L383-T385 HydrophobicContact CD2-CG2 4.04Å; L383-T385 HydrophobicContact CG-CG2 3.54Å; T385-S387 PolarHBondContact OG1-N 2.83Å; T385-S387 PolarHBondContact OG1-O 3.12Å; T385-D390 WeakPolarHBondContact CB-OD2 3.49Å; T385-D390 HydrophobicContact CG2-CB 4.5Å; T385-D390 PolarHBondContact OG1-OD2 3.47Å; T385-F391 HydrophobicContact CG2-CB 4.34Å | ||
| 386 | E | 72.4 | Confident | 89.2 | Confident | 176 Ų | 176 | 62.9 Ų | 62.9 | 82% | 0.822 | 30% | 0.3 | S | S | * | . | trans | -90.6 | -34.4 | 171.8 | -58.5 | -167.3 | 152.4 | 0 | 0 | 112.1 | K374 I384 | K374-E386 PolarHBondContact NZ-O 2.67Å; I384-E386 PolarHBondContact O-N 3.34Å | ||
| 387 | S | 87.7 | Confident | 89.1 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -73.3 | 163.2 | -173.5 | 97.4 | 0 | 0 | 0 | 0 | 113.4 | K374 T385 D389 D390 | K374-S387 PolarHBondContact NZ-O 3.07Å; T385-S387 PolarHBondContact OG1-N 2.83Å; T385-S387 PolarHBondContact OG1-O 3.12Å; S387-D389 PolarHBondContact OG-N 2.89Å; S387-D389 VanDerWaalsContact OG-N 3.15Å; S387-D390 PolarHBondContact OG-N 3.03Å; S387-D390 PolarHBondContact OG-OD1 2.86Å; S387-D390 PolarHBondContact OG-OD2 3.46Å |
| 388 | E | 90.2 | Very high | 89.1 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -72.9 | -35.1 | 169.8 | -163.9 | -178.2 | 89.3 | 0 | 0 | 111.3 | V365 F391 K392 | V365-E388 HydrophobicContact CG2-CG 4.44Å; E388-F391 WeakPolarHBondContact O-CB 3.27Å; E388-F391 PolarHBondContact O-N 3.01Å; E388-K392 WeakPolarHBondContact O-CG 3.34Å; E388-K392 PolarHBondContact O-N 2.87Å; E388-K392 WeakPolarHBondContact OE1-CE 3.43Å; E388-K392 IonicContact OE1-NZ 3.48Å; E388-K392 PolarHBondContact OE1-NZ 3.49Å |
| 389 | D | 92.9 | Very high | 89.3 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -80.2 | -37.3 | -167.9 | -65.2 | -41 | 0 | 0 | 0 | 113.5 | S387 F391 K392 E393 | S387-D389 PolarHBondContact OG-N 2.89Å; S387-D389 VanDerWaalsContact OG-N 3.15Å; D389-F391 PolarHBondContact O-N 2.66Å; D389-K392 WeakPolarHBondContact O-CB 3.32Å; D389-K392 PolarHBondContact O-N 3.45Å; D389-K392 WeakPolarHBondContact OD1-CD 3.22Å; D389-K392 IonicContact OD1-NZ 2.63Å; D389-K392 PolarHBondContact OD1-NZ 2.75Å; D389-E393 WeakPolarHBondContact O-CB 3.31Å; D389-E393 PolarHBondContact O-N 3.46Å |
| 390 | D | 91.2 | Very high | 89.4 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.9 | -21.7 | 168.5 | 9.9 | -66.1 | 0 | 0 | 0 | 111.8 | T385 S387 W394 | T385-D390 WeakPolarHBondContact CB-OD2 3.49Å; T385-D390 HydrophobicContact CG2-CB 4.5Å; T385-D390 PolarHBondContact OG1-OD2 3.47Å; S387-D390 PolarHBondContact OG-N 3.03Å; S387-D390 PolarHBondContact OG-OD1 2.86Å; S387-D390 PolarHBondContact OG-OD2 3.46Å; D390-W394 WeakPolarHBondContact O-CB 3.24Å; D390-W394 PolarHBondContact O-N 2.85Å |
| 391 | F | 94 | Very high | 89.4 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.2 | -39.8 | 167.2 | 179.9 | -124.1 | 0 | 0 | 0 | 112.1 | V365 M370 L373 K374 L383 T385 E388 D389 W394 L395 | V365-F391 HydrophobicContact CG1-CD1 4.15Å; V365-F391 HydrophobicContact CG1-CE1 4.11Å; M370-F391 HydrophobicContact CE-CZ 4.44Å; L373-F391 HydrophobicContact CD2-CZ 4.27Å; K374-F391 HydrophobicContact CB-CD1 4.32Å; K374-F391 HydrophobicContact CB-CE1 3.87Å; K374-F391 HydrophobicContact CB-CE2 4.21Å; K374-F391 HydrophobicContact CB-CZ 3.8Å; K374-F391 HydrophobicContact CD-CB 4.29Å; K374-F391 HydrophobicContact CD-CD1 3.87Å; K374-F391 HydrophobicContact CD-CE1 4.29Å; K374-F391 HydrophobicContact CD-CG 3.99Å; K374-F391 HydrophobicContact CG-CD1 4.41Å; K374-F391 HydrophobicContact CG-CD2 4.5Å; K374-F391 HydrophobicContact CG-CE1 4.44Å; K374-F391 HydrophobicContact CG-CG 4.43Å; K374-F391 HydrophobicContact CG-CZ 4.49Å; L383-F391 HydrophobicContact CD1-CD2 4.23Å; L383-F391 HydrophobicContact CD2-CD2 3.48Å; L383-F391 VanDerWaalsContact CD2-CD2 3.48Å; L383-F391 HydrophobicContact CD2-CE2 3.79Å; L383-F391 HydrophobicContact CD2-CG 4.38Å; T385-F391 HydrophobicContact CG2-CB 4.34Å; E388-F391 WeakPolarHBondContact O-CB 3.27Å; E388-F391 PolarHBondContact O-N 3.01Å; D389-F391 PolarHBondContact O-N 2.66Å; F391-W394 HydrophobicContact CD2-CE3 4.03Å; F391-W394 AromaticContact CE2-CE3 3.99Å; F391-W394 HydrophobicContact CE2-CE3 3.99Å; F391-W394 HydrophobicContact CE2-CZ3 4.02Å; F391-L395 HydrophobicContact CD1-CD1 4.1Å; F391-L395 HydrophobicContact CD2-CD1 4.39Å; F391-L395 HydrophobicContact CD2-CG 4.25Å; F391-L395 HydrophobicContact CE1-CD1 3.73Å; F391-L395 HydrophobicContact CE2-CD1 4.05Å; F391-L395 HydrophobicContact CE2-CD2 4.19Å; F391-L395 HydrophobicContact CE2-CG 3.95Å; F391-L395 HydrophobicContact CG-CD1 4.44Å; F391-L395 HydrophobicContact CZ-CD1 3.71Å; F391-L395 HydrophobicContact CZ-CD2 4.3Å; F391-L395 HydrophobicContact CZ-CG 4.11Å; F391-L395 WeakPolarHBondContact O-CB 3.41Å; F391-L395 VanDerWaalsContact O-CG 3.26Å; F391-L395 WeakPolarHBondContact O-CG 3.07Å; F391-L395 PolarHBondContact O-N 3.21Å |
| 392 | K | 96.1 | Very high | 89.5 | Confident | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 170 | -69.2 | 173.1 | -170.8 | 149.6 | 0 | 111.1 | I361 D362 V365 E388 D389 L395 K396 | I361-K392 HydrophobicContact CG2-CB 3.64Å; I361-K392 HydrophobicContact CG2-CD 4.42Å; I361-K392 HydrophobicContact CG2-CG 3.69Å; D362-K392 WeakPolarHBondContact OD1-CD 3.22Å; D362-K392 WeakPolarHBondContact OD1-CE 3.26Å; D362-K392 IonicContact OD1-NZ 3.09Å; D362-K392 PolarHBondContact OD1-NZ 3.49Å; V365-K392 HydrophobicContact CG1-CG 4.15Å; V365-K392 HydrophobicContact CG2-CG 4.32Å; E388-K392 WeakPolarHBondContact O-CG 3.34Å; E388-K392 PolarHBondContact O-N 2.87Å; E388-K392 WeakPolarHBondContact OE1-CE 3.43Å; E388-K392 IonicContact OE1-NZ 3.48Å; E388-K392 PolarHBondContact OE1-NZ 3.49Å; D389-K392 WeakPolarHBondContact O-CB 3.32Å; D389-K392 PolarHBondContact O-N 3.45Å; D389-K392 WeakPolarHBondContact OD1-CD 3.22Å; D389-K392 IonicContact OD1-NZ 2.63Å; D389-K392 PolarHBondContact OD1-NZ 2.75Å; K392-L395 PolarHBondContact O-N 3.47Å; K392-K396 WeakPolarHBondContact O-CB 3.07Å; K392-K396 VanDerWaalsContact O-CG 3.3Å; K392-K396 WeakPolarHBondContact O-CG 3.35Å; K392-K396 PolarHBondContact O-N 2.79Å |
| 393 | E | 93.8 | Very high | 89.4 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | -178.9 | -165.6 | 54.2 | -135.6 | 0 | 0 | 111.7 | D389 K396 N397 | D389-E393 WeakPolarHBondContact O-CB 3.31Å; D389-E393 PolarHBondContact O-N 3.46Å; E393-K396 WeakPolarHBondContact O-CB 3.27Å; E393-K396 PolarHBondContact O-N 3.37Å; E393-K396 IonicContact OE1-NZ 2.7Å; E393-K396 VanDerWaalsContact OE2-CE 3.31Å; E393-K396 WeakPolarHBondContact OE2-CE 3.39Å; E393-K396 IonicContact OE2-NZ 3.67Å; E393-K396 PolarHBondContact OE2-NZ 3.44Å; E393-N397 PolarHBondContact O-N 2.96Å; E393-N397 PolarHBondContact O-ND2 2.86Å; E393-N397 PolarHBondContact OE1-ND2 2.94Å |
| 394 | W | 93.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 25% | 0.254 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 171.6 | 179.4 | 90.2 | 0 | 0 | 0 | 112 | L377 L383 D390 F391 N397 L398 T490 L494 | L377-W394 HydrophobicContact CD1-CH2 3.46Å; L377-W394 VanDerWaalsContact CD1-CH2 3.46Å; L377-W394 HydrophobicContact CD1-CZ2 4.34Å; L377-W394 HydrophobicContact CD1-CZ3 3.75Å; L383-W394 HydrophobicContact CD1-CB 4.35Å; L383-W394 HydrophobicContact CD1-CD2 3.53Å; L383-W394 HydrophobicContact CD1-CE3 3.9Å; L383-W394 HydrophobicContact CD1-CG 3.73Å; L383-W394 HydrophobicContact CD1-CZ2 4.32Å; L383-W394 HydrophobicContact CD1-CZ3 4.44Å; D390-W394 WeakPolarHBondContact O-CB 3.24Å; D390-W394 PolarHBondContact O-N 2.85Å; F391-W394 HydrophobicContact CD2-CE3 4.03Å; F391-W394 AromaticContact CE2-CE3 3.99Å; F391-W394 HydrophobicContact CE2-CE3 3.99Å; F391-W394 HydrophobicContact CE2-CZ3 4.02Å; W394-N397 PolarHBondContact O-N 3.19Å; W394-L398 HydrophobicContact CH2-CD2 3.73Å; W394-L398 HydrophobicContact CZ2-CD2 4.17Å; W394-L398 HydrophobicContact CZ3-CD2 4.04Å; W394-L398 WeakPolarHBondContact O-CB 3.39Å; W394-L398 PolarHBondContact O-N 3.27Å; W394-T490 HydrophobicContact CH2-CG2 3.64Å; W394-T490 HydrophobicContact CZ3-CG2 4.04Å; W394-L494 HydrophobicContact CH2-CD1 3.87Å; W394-L494 HydrophobicContact CZ2-CD1 3.89Å |
| 395 | L | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 173.8 | -74.8 | 171.5 | 0 | 0 | 0 | 112 | I361 V365 M370 L373 F391 K392 L398 W399 M486 | I361-L395 HydrophobicContact CD1-CB 3.93Å; V365-L395 HydrophobicContact CG1-CD1 3.68Å; M370-L395 HydrophobicContact CE-CD1 3.5Å; M370-L395 VanDerWaalsContact CE-CD1 3.5Å; M370-L395 HydrophobicContact CE-CD2 3.68Å; M370-L395 HydrophobicContact CE-CG 4.27Å; L373-L395 HydrophobicContact CD2-CD2 4.39Å; F391-L395 HydrophobicContact CD1-CD1 4.1Å; F391-L395 HydrophobicContact CD2-CD1 4.39Å; F391-L395 HydrophobicContact CD2-CG 4.25Å; F391-L395 HydrophobicContact CE1-CD1 3.73Å; F391-L395 HydrophobicContact CE2-CD1 4.05Å; F391-L395 HydrophobicContact CE2-CD2 4.19Å; F391-L395 HydrophobicContact CE2-CG 3.95Å; F391-L395 HydrophobicContact CG-CD1 4.44Å; F391-L395 HydrophobicContact CZ-CD1 3.71Å; F391-L395 HydrophobicContact CZ-CD2 4.3Å; F391-L395 HydrophobicContact CZ-CG 4.11Å; F391-L395 WeakPolarHBondContact O-CB 3.41Å; F391-L395 VanDerWaalsContact O-CG 3.26Å; F391-L395 WeakPolarHBondContact O-CG 3.07Å; F391-L395 PolarHBondContact O-N 3.21Å; K392-L395 PolarHBondContact O-N 3.47Å; L395-L398 PolarHBondContact O-N 3.05Å; L395-W399 WeakPolarHBondContact O-CB 3.4Å; L395-W399 PolarHBondContact O-N 2.94Å; L395-M486 HydrophobicContact CD2-CE 4.28Å |
| 396 | K | 94.5 | Very high | 88.5 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 21% | 0.213 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 174.6 | -77.2 | 166.7 | 58.4 | -167.1 | 0 | 110.9 | I357 N358 I361 K392 E393 W399 F400 A401 | I357-K396 HydrophobicContact CG2-CG 4.49Å; N358-K396 WeakPolarHBondContact OD1-CE 2.98Å; N358-K396 PolarHBondContact OD1-NZ 2.78Å; I361-K396 HydrophobicContact CD1-CG 4.28Å; I361-K396 HydrophobicContact CG1-CG 3.87Å; K392-K396 WeakPolarHBondContact O-CB 3.07Å; K392-K396 VanDerWaalsContact O-CG 3.3Å; K392-K396 WeakPolarHBondContact O-CG 3.35Å; K392-K396 PolarHBondContact O-N 2.79Å; E393-K396 WeakPolarHBondContact O-CB 3.27Å; E393-K396 PolarHBondContact O-N 3.37Å; E393-K396 IonicContact OE1-NZ 2.7Å; E393-K396 VanDerWaalsContact OE2-CE 3.31Å; E393-K396 WeakPolarHBondContact OE2-CE 3.39Å; E393-K396 IonicContact OE2-NZ 3.67Å; E393-K396 PolarHBondContact OE2-NZ 3.44Å; K396-W399 PolarHBondContact O-N 3.2Å; K396-F400 WeakPolarHBondContact O-CA 3.35Å; K396-F400 WeakPolarHBondContact O-CB 3.26Å; K396-F400 PolarHBondContact O-N 2.86Å; K396-A401 PolarHBondContact O-N 3.36Å |
| 397 | N | 92.1 | Very high | 88 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69 | -34.4 | -179.5 | -74 | -70.8 | 0 | 0 | 0 | 112.8 | E393 W394 A401 | E393-N397 PolarHBondContact O-N 2.96Å; E393-N397 PolarHBondContact O-ND2 2.86Å; E393-N397 PolarHBondContact OE1-ND2 2.94Å; W394-N397 PolarHBondContact O-N 3.19Å; N397-A401 WeakPolarHBondContact O-CB 3.49Å |
| 398 | L | 93 | Very high | 87.1 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | 174.5 | 178.8 | 62 | 0 | 0 | 0 | 112.9 | W394 L395 T490 L526 | W394-L398 HydrophobicContact CH2-CD2 3.73Å; W394-L398 HydrophobicContact CZ2-CD2 4.17Å; W394-L398 HydrophobicContact CZ3-CD2 4.04Å; W394-L398 WeakPolarHBondContact O-CB 3.39Å; W394-L398 PolarHBondContact O-N 3.27Å; L395-L398 PolarHBondContact O-N 3.05Å; L398-T490 HydrophobicContact CD2-CG2 3.67Å; L398-L526 HydrophobicContact CD1-CB 4.09Å |
| 399 | W | 95.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -105.2 | -33.7 | -168.2 | -78.5 | 94.5 | 0 | 0 | 0 | 115.7 | L395 K396 A414 F415 V418 F419 M486 A489 T490 L526 | L395-W399 WeakPolarHBondContact O-CB 3.4Å; L395-W399 PolarHBondContact O-N 2.94Å; K396-W399 PolarHBondContact O-N 3.2Å; W399-A414 HydrophobicContact CE3-CB 3.91Å; W399-A414 HydrophobicContact CZ3-CB 4.34Å; W399-A414 PolarHBondContact O-N 3.35Å; W399-F415 HydrophobicContact CE3-CB 4.39Å; W399-F415 WeakPolarHBondContact O-CB 3.39Å; W399-F415 PolarHBondContact O-N 2.86Å; W399-V418 HydrophobicContact CH2-CG1 4.47Å; W399-V418 HydrophobicContact CZ3-CB 4.09Å; W399-V418 HydrophobicContact CZ3-CG1 4.31Å; W399-V418 HydrophobicContact CZ3-CG2 4.1Å; W399-F419 HydrophobicContact CE3-CE2 4.21Å; W399-F419 AromaticContact CH2-CE2 3.99Å; W399-F419 HydrophobicContact CH2-CE2 3.99Å; W399-F419 HydrophobicContact CZ3-CD2 4.11Å; W399-F419 AromaticContact CZ3-CE2 3.64Å; W399-F419 HydrophobicContact CZ3-CE2 3.64Å; W399-M486 HydrophobicContact CB-CE 4.06Å; W399-M486 HydrophobicContact CD2-CE 4.14Å; W399-M486 HydrophobicContact CD2-CG 4.19Å; W399-M486 HydrophobicContact CG-CE 3.56Å; W399-M486 HydrophobicContact CZ2-CB 4.47Å; W399-M486 HydrophobicContact CZ2-CG 3.89Å; W399-M486 WeakPolarHBondContact CZ2-O 3.47Å; W399-A489 HydrophobicContact CH2-CB 3.54Å; W399-A489 HydrophobicContact CZ2-CB 3.72Å; W399-T490 PolarHBondContact NE1-OG1 3.3Å; W399-L526 HydrophobicContact CD2-CD2 4.27Å; W399-L526 HydrophobicContact CE3-CD2 4.28Å; W399-L526 HydrophobicContact CH2-CD2 3.69Å; W399-L526 HydrophobicContact CZ2-CD2 3.63Å; W399-L526 HydrophobicContact CZ3-CD2 4Å |
| 400 | F | 93.7 | Very high | 85.7 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -118.1 | -3.2 | -170.6 | -63.3 | -88.1 | 0 | 0 | 0 | 113.8 | L335 F339 I357 F360 I361 K396 E402 F415 | L335-F400 HydrophobicContact CD2-CE1 4.01Å; L335-F400 HydrophobicContact CD2-CZ 4.07Å; F339-F400 HydrophobicContact CZ-CD1 4.1Å; F339-F400 HydrophobicContact CZ-CE1 4Å; I357-F400 HydrophobicContact CB-CD1 4.48Å; I357-F400 HydrophobicContact CD1-CD1 3.8Å; I357-F400 HydrophobicContact CD1-CE1 4.39Å; I357-F400 HydrophobicContact CD1-CG 4.38Å; I357-F400 HydrophobicContact CG1-CD1 3.81Å; I357-F400 HydrophobicContact CG1-CE1 3.91Å; I357-F400 HydrophobicContact CG1-CG 4.47Å; I357-F400 HydrophobicContact CG2-CB 4.26Å; I357-F400 HydrophobicContact CG2-CD1 3.86Å; I357-F400 HydrophobicContact CG2-CD2 3.84Å; I357-F400 HydrophobicContact CG2-CE1 4.1Å; I357-F400 HydrophobicContact CG2-CE2 4.1Å; I357-F400 HydrophobicContact CG2-CG 3.71Å; I357-F400 HydrophobicContact CG2-CZ 4.22Å; F360-F400 HydrophobicContact CD1-CE2 4.39Å; F360-F400 AromaticContact CD1-CZ 3.91Å; F360-F400 HydrophobicContact CD1-CZ 3.91Å; F360-F400 HydrophobicContact CE1-CZ 4.19Å; I361-F400 HydrophobicContact CD1-CD2 4.49Å; I361-F400 HydrophobicContact CD1-CE2 3.99Å; I361-F400 HydrophobicContact CG1-CE2 4.29Å; K396-F400 WeakPolarHBondContact O-CA 3.35Å; K396-F400 WeakPolarHBondContact O-CB 3.26Å; K396-F400 PolarHBondContact O-N 2.86Å; F400-E402 PolarHBondContact O-N 2.92Å; F400-F415 HydrophobicContact CD1-CB 3.97Å; F400-F415 HydrophobicContact CD1-CD1 4.29Å; F400-F415 HydrophobicContact CD1-CG 4.11Å; F400-F415 HydrophobicContact CE1-CB 3.7Å; F400-F415 AromaticContact CE1-CD1 3.47Å; F400-F415 HydrophobicContact CE1-CD1 3.47Å; F400-F415 VanDerWaalsContact CE1-CD1 3.47Å; F400-F415 AromaticContact CE1-CD2 3.74Å; F400-F415 HydrophobicContact CE1-CD2 3.74Å; F400-F415 AromaticContact CE1-CE1 3.96Å; F400-F415 HydrophobicContact CE1-CE1 3.96Å; F400-F415 HydrophobicContact CE1-CE2 4.2Å; F400-F415 AromaticContact CE1-CG 3.34Å; F400-F415 HydrophobicContact CE1-CG 3.34Å; F400-F415 HydrophobicContact CE1-CZ 4.29Å; F400-F415 HydrophobicContact CE2-CD2 4.23Å; F400-F415 HydrophobicContact CE2-CG 4.45Å; F400-F415 HydrophobicContact CZ-CB 4.03Å; F400-F415 HydrophobicContact CZ-CD1 4.04Å; F400-F415 AromaticContact CZ-CD2 3.42Å; F400-F415 HydrophobicContact CZ-CD2 3.42Å; F400-F415 VanDerWaalsContact CZ-CD2 3.42Å; F400-F415 HydrophobicContact CZ-CE1 4.35Å; F400-F415 AromaticContact CZ-CE2 3.78Å; F400-F415 HydrophobicContact CZ-CE2 3.78Å; F400-F415 AromaticContact CZ-CG 3.56Å; F400-F415 HydrophobicContact CZ-CG 3.56Å; F400-F415 HydrophobicContact CZ-CZ 4.23Å |
| 401 | A | 90 | Very high | 85.2 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 21% | 0.207 | 26% | 0.263 | C | S | . | . | trans | -63.8 | 125 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | K396 N397 Y403 Y525 | K396-A401 PolarHBondContact O-N 3.36Å; N397-A401 WeakPolarHBondContact O-CB 3.49Å; A401-Y403 WeakPolarHBondContact O-CD1 3.45Å; A401-Y525 HydrophobicContact CB-CD1 4.25Å; A401-Y525 HydrophobicContact CB-CE1 3.91Å | ||
| 402 | E | 88 | Confident | 84.8 | Confident | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | trans | -82.1 | 139.8 | -174.7 | -54.8 | 175.3 | -179.2 | 0 | 0 | 110.5 | T349 F400 I410 S412 | T349-E402 VanDerWaalsContact CB-OE1 3.31Å; T349-E402 WeakPolarHBondContact CB-OE1 3.42Å; T349-E402 PolarHBondContact OG1-OE1 2.79Å; F400-E402 PolarHBondContact O-N 2.92Å; E402-I410 HydrophobicContact CB-CG2 3.35Å; E402-S412 CarbonylContact C-O 3.52Å; E402-S412 WeakPolarHBondContact CA-O 3.33Å | ||
| 403 | Y | 84.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | trans | -143.9 | 156.1 | -179.9 | 53 | -101.5 | 0 | 0 | 0 | 112.2 | A401 R405 D411 S412 S413 A414 L518 Y525 L526 S527 | A401-Y403 WeakPolarHBondContact O-CD1 3.45Å; Y403-R405 HydrophobicContact CD2-CG 4.3Å; Y403-R405 HydrophobicContact CE2-CG 3.94Å; Y403-R405 PolarHBondContact O-N 3.45Å; Y403-R405 PolarHBondContact OH-NH1 2.77Å; Y403-R405 PolarHBondContact OH-NH2 2.04Å; Y403-D411 PolarHBondContact O-N 3.4Å; Y403-S412 PolarHBondContact N-O 3.42Å; Y403-S412 PolarHBondContact O-N 3.15Å; Y403-S413 PolarHBondContact OH-O 2.81Å; Y403-A414 PolarHBondContact OH-N 3.13Å; Y403-L518 HydrophobicContact CD2-CD1 4.06Å; Y403-L518 HydrophobicContact CE2-CD1 3.76Å; Y403-Y525 AromaticContact CD1-CD1 3.5Å; Y403-Y525 HydrophobicContact CD1-CD1 3.5Å; Y403-Y525 VanDerWaalsContact CD1-CD1 3.5Å; Y403-Y525 HydrophobicContact CD1-CD2 4.38Å; Y403-Y525 HydrophobicContact CD1-CE1 4.29Å; Y403-Y525 AromaticContact CD1-CG 3.54Å; Y403-Y525 HydrophobicContact CD1-CG 3.54Å; Y403-Y525 HydrophobicContact CE1-CD1 4.26Å; Y403-Y525 HydrophobicContact CE1-CG 4.21Å; Y403-Y525 HydrophobicContact CG-CD1 4.25Å; Y403-Y525 HydrophobicContact CG-CD2 4.47Å; Y403-Y525 HydrophobicContact CG-CG 4.05Å; Y403-L526 WeakPolarHBondContact CE1-O 3.45Å; Y403-L526 PolarHBondContact OH-O 2.96Å; Y403-S527 WeakPolarHBondContact OH-CA 3.03Å | ||
| 404 | A | 81.2 | Confident | 84.6 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | trans | -80.3 | 110.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V409 R520 | A404-V409 WeakPolarHBondContact CA-O 3.34Å; A404-V409 WeakPolarHBondContact CB-O 3.45Å; A404-R520 VanDerWaalsContact O-CZ 3.32Å; A404-R520 PolarHBondContact O-NE 3.45Å; A404-R520 PolarHBondContact O-NH2 2.95Å | ||
| 405 | R | 72.2 | Confident | 84.7 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -69.6 | -46.2 | 172.3 | -78.8 | -170.4 | -159.5 | -64.2 | -26.1 | 111.5 | Y403 D411 S412 S413 H417 E422 L518 R520 S527 | Y403-R405 HydrophobicContact CD2-CG 4.3Å; Y403-R405 HydrophobicContact CE2-CG 3.94Å; Y403-R405 PolarHBondContact O-N 3.45Å; Y403-R405 PolarHBondContact OH-NH1 2.77Å; Y403-R405 PolarHBondContact OH-NH2 2.04Å; R405-D411 PolarHBondContact N-OD1 3.03Å; R405-S412 VanDerWaalsContact CD-OG 3.28Å; R405-S412 WeakPolarHBondContact CD-OG 2.99Å; R405-S412 WeakPolarHBondContact CG-OG 3.33Å; R405-S412 VanDerWaalsContact NE-CB 3.34Å; R405-S412 PolarHBondContact NE-OG 3.28Å; R405-S413 PolarHBondContact NH2-O 3.24Å; R405-H417 VanDerWaalsContact NH2-CB 3.34Å; R405-E422 IonicContact CZ-OE1 3.4Å; R405-E422 IonicContact CZ-OE2 3.82Å; R405-E422 IonicContact NE-OE1 3.65Å; R405-E422 PolarHBondContact NE-OE1 2.85Å; R405-E422 IonicContact NE-OE2 3.33Å; R405-E422 PolarHBondContact NE-OE2 2.9Å; R405-E422 IonicContact NH2-OE1 2.66Å; R405-E422 PolarHBondContact NH2-OE1 3.19Å; R405-E422 IonicContact NH2-OE2 3.46Å; R405-L518 HydrophobicContact CG-CD1 4.2Å; R405-R520 PolarHBondContact O-NH2 3.12Å; R405-S527 PolarHBondContact NH1-O 3.21Å; R405-S527 PolarHBondContact NH1-OG 2.89Å |
| 406 | R | 67.1 | Low | 84.6 | Confident | 146 Ų | 146 | 49.7 Ų | 49.7 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -141 | 142.3 | -176.8 | -70.2 | 176.4 | 171.3 | -177.7 | -3.4 | 109.7 | E424 | R406-E424 VanDerWaalsContact CD-OE2 3.23Å; R406-E424 WeakPolarHBondContact CD-OE2 3.15Å; R406-E424 IonicContact CZ-OE2 2.77Å; R406-E424 IonicContact NE-OE2 2.94Å; R406-E424 IonicContact NH1-OE1 3.54Å; R406-E424 PolarHBondContact NH1-OE1 2.86Å; R406-E424 IonicContact NH1-OE2 3.53Å; R406-E424 PolarHBondContact NH1-OE2 2.84Å |
| 407 | R | 61.8 | Low | 84.6 | Confident | 221 Ų | 221 | 47.9 Ų | 47.9 | 83% | 0.834 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -162.3 | -167.8 | -52.7 | 172.3 | 165.7 | 168.9 | -7.8 | 111.4 | ||
| 408 | K | 69.6 | Low | 84.7 | Confident | 210 Ų | 210 | 44 Ų | 44 | 91% | 0.913 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 14.6 | 176.3 | -63.1 | -173 | 177.8 | -176.4 | 0 | 113.3 | ||
| 409 | V | 74.7 | Confident | 84.8 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | trans | -86.9 | 127.4 | 177.5 | -171.9 | 0 | 0 | 0 | 0 | 108 | P346 A404 D411 | P346-V409 HydrophobicContact CB-CG1 4.31Å; A404-V409 WeakPolarHBondContact CA-O 3.34Å; A404-V409 WeakPolarHBondContact CB-O 3.45Å; V409-D411 HydrophobicContact CG1-CB 4.18Å; V409-D411 PolarHBondContact O-N 3.3Å | ||
| 410 | I | 78.1 | Confident | 84.8 | Confident | 93 Ų | 93 | 42.5 Ų | 42.5 | 48% | 0.477 | 19% | 0.19 | S | C | . | . | trans | -80 | 114 | 172.1 | -67.6 | 173.8 | 0 | 0 | 0 | 107 | E402 | E402-I410 HydrophobicContact CB-CG2 3.35Š| ||
| 411 | D | 80.9 | Confident | 84.7 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | trans | -150.4 | 16.4 | -156.6 | 72.5 | -26.9 | 0 | 0 | 0 | 114.3 | I343 G344 Y403 R405 V409 | I343-D411 VanDerWaalsContact CG2-OD2 3.25Å; I343-D411 WeakPolarHBondContact CG2-OD2 3.41Å; G344-D411 PolarHBondContact N-OD2 3.19Å; Y403-D411 PolarHBondContact O-N 3.4Å; R405-D411 PolarHBondContact N-OD1 3.03Å; V409-D411 HydrophobicContact CG1-CB 4.18Å; V409-D411 PolarHBondContact O-N 3.3Å | ||
| 412 | S | 86.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -170.2 | 148.8 | -169.9 | -76.4 | 0 | 0 | 0 | 0 | 113.2 | E402 Y403 R405 E416 E422 | E402-S412 CarbonylContact C-O 3.52Å; E402-S412 WeakPolarHBondContact CA-O 3.33Å; Y403-S412 PolarHBondContact N-O 3.42Å; Y403-S412 PolarHBondContact O-N 3.15Å; R405-S412 VanDerWaalsContact CD-OG 3.28Å; R405-S412 WeakPolarHBondContact CD-OG 2.99Å; R405-S412 WeakPolarHBondContact CG-OG 3.33Å; R405-S412 VanDerWaalsContact NE-CB 3.34Å; R405-S412 PolarHBondContact NE-OG 3.28Å; S412-E416 WeakPolarHBondContact CA-OE2 3.02Å; S412-E422 PolarHBondContact OG-OE1 3.2Å | ||
| 413 | S | 92.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -129 | 172.6 | 165.5 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | Y403 R405 F415 E416 H417 | Y403-S413 PolarHBondContact OH-O 2.81Å; R405-S413 PolarHBondContact NH2-O 3.24Å; S413-F415 VanDerWaalsContact C-N 3.32Å; S413-E416 WeakPolarHBondContact CB-OE1 3.16Å; S413-E416 PolarHBondContact N-OE1 3.3Å; S413-E416 PolarHBondContact O-N 2.84Å; S413-E416 VanDerWaalsContact OG-CD 3.3Å; S413-E416 WeakPolarHBondContact OG-CG 3.42Å; S413-E416 PolarHBondContact OG-N 2.89Å; S413-E416 PolarHBondContact OG-OE1 3.44Å; S413-H417 PolarHBondContact O-N 3.39Å | ||
| 414 | A | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W399 Y403 V418 L526 | W399-A414 HydrophobicContact CE3-CB 3.91Å; W399-A414 HydrophobicContact CZ3-CB 4.34Å; W399-A414 PolarHBondContact O-N 3.35Å; Y403-A414 PolarHBondContact OH-N 3.13Å; A414-V418 WeakPolarHBondContact O-CB 3.42Å; A414-V418 VanDerWaalsContact O-CG2 3.31Å; A414-V418 WeakPolarHBondContact O-CG2 3.2Å; A414-V418 PolarHBondContact O-N 2.75Å; A414-V418 VanDerWaalsContact O-N 3.1Å; A414-L526 HydrophobicContact CB-CB 3.76Å; A414-L526 HydrophobicContact CB-CD2 4.14Å; A414-L526 HydrophobicContact CB-CG 3.85Å; A414-L526 WeakPolarHBondContact CB-O 3.31Å |
| 415 | F | 94.8 | Very high | 85 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 178.5 | -175.8 | -94.9 | 0 | 0 | 0 | 111.6 | F332 L335 F339 F360 W399 F400 S413 F419 V420 | F332-F415 HydrophobicContact CD2-CE2 4.17Å; F332-F415 AromaticContact CD2-CZ 3.82Å; F332-F415 HydrophobicContact CD2-CZ 3.82Å; F332-F415 AromaticContact CE2-CE2 3.99Å; F332-F415 HydrophobicContact CE2-CE2 3.99Å; F332-F415 AromaticContact CE2-CZ 3.66Å; F332-F415 HydrophobicContact CE2-CZ 3.66Å; L335-F415 HydrophobicContact CD2-CE1 4.12Å; L335-F415 HydrophobicContact CD2-CZ 3.93Å; L335-F415 HydrophobicContact CG-CE1 4.14Å; L335-F415 HydrophobicContact CG-CZ 4.28Å; F339-F415 HydrophobicContact CE1-CD1 4.45Å; F339-F415 AromaticContact CE2-CD1 3.89Å; F339-F415 HydrophobicContact CE2-CD1 3.89Å; F339-F415 AromaticContact CE2-CE1 3.77Å; F339-F415 HydrophobicContact CE2-CE1 3.77Å; F339-F415 AromaticContact CZ-CD1 3.74Å; F339-F415 HydrophobicContact CZ-CD1 3.74Å; F339-F415 HydrophobicContact CZ-CE1 4.07Å; F360-F415 HydrophobicContact CD1-CE2 4.33Å; F360-F415 HydrophobicContact CE1-CD2 4.43Å; F360-F415 AromaticContact CE1-CE2 3.69Å; F360-F415 HydrophobicContact CE1-CE2 3.69Å; F360-F415 HydrophobicContact CE1-CZ 4.41Å; F360-F415 HydrophobicContact CZ-CE2 4.1Å; W399-F415 HydrophobicContact CE3-CB 4.39Å; W399-F415 WeakPolarHBondContact O-CB 3.39Å; W399-F415 PolarHBondContact O-N 2.86Å; F400-F415 HydrophobicContact CD1-CB 3.97Å; F400-F415 HydrophobicContact CD1-CD1 4.29Å; F400-F415 HydrophobicContact CD1-CG 4.11Å; F400-F415 HydrophobicContact CE1-CB 3.7Å; F400-F415 AromaticContact CE1-CD1 3.47Å; F400-F415 HydrophobicContact CE1-CD1 3.47Å; F400-F415 VanDerWaalsContact CE1-CD1 3.47Å; F400-F415 AromaticContact CE1-CD2 3.74Å; F400-F415 HydrophobicContact CE1-CD2 3.74Å; F400-F415 AromaticContact CE1-CE1 3.96Å; F400-F415 HydrophobicContact CE1-CE1 3.96Å; F400-F415 HydrophobicContact CE1-CE2 4.2Å; F400-F415 AromaticContact CE1-CG 3.34Å; F400-F415 HydrophobicContact CE1-CG 3.34Å; F400-F415 HydrophobicContact CE1-CZ 4.29Å; F400-F415 HydrophobicContact CE2-CD2 4.23Å; F400-F415 HydrophobicContact CE2-CG 4.45Å; F400-F415 HydrophobicContact CZ-CB 4.03Å; F400-F415 HydrophobicContact CZ-CD1 4.04Å; F400-F415 AromaticContact CZ-CD2 3.42Å; F400-F415 HydrophobicContact CZ-CD2 3.42Å; F400-F415 VanDerWaalsContact CZ-CD2 3.42Å; F400-F415 HydrophobicContact CZ-CE1 4.35Å; F400-F415 AromaticContact CZ-CE2 3.78Å; F400-F415 HydrophobicContact CZ-CE2 3.78Å; F400-F415 AromaticContact CZ-CG 3.56Å; F400-F415 HydrophobicContact CZ-CG 3.56Å; F400-F415 HydrophobicContact CZ-CZ 4.23Å; S413-F415 VanDerWaalsContact C-N 3.32Å; F415-F419 HydrophobicContact CD2-CB 4.35Å; F415-F419 AromaticContact CD2-CD2 3.62Å; F415-F419 HydrophobicContact CD2-CD2 3.62Å; F415-F419 HydrophobicContact CD2-CE2 4.22Å; F415-F419 HydrophobicContact CD2-CG 4.18Å; F415-F419 HydrophobicContact CE2-CB 4.19Å; F415-F419 AromaticContact CE2-CD2 3.9Å; F415-F419 HydrophobicContact CE2-CD2 3.9Å; F415-F419 HydrophobicContact CE2-CE2 4.49Å; F415-F419 HydrophobicContact CE2-CG 4.05Å; F415-F419 HydrophobicContact CG-CD2 4.31Å; F415-F419 HydrophobicContact CZ-CB 4.29Å; F415-F419 WeakPolarHBondContact O-CA 3.26Å; F415-F419 VanDerWaalsContact O-CB 3.31Å; F415-F419 WeakPolarHBondContact O-CB 3.2Å; F415-F419 PolarHBondContact O-N 3.31Å; F415-V420 HydrophobicContact CD1-CG2 3.83Å; F415-V420 HydrophobicContact CE1-CG2 3.67Å; F415-V420 PolarHBondContact O-N 3.26Å |
| 416 | E | 93.2 | Very high | 85.5 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -58.8 | -53 | 176.5 | -78.5 | 154.4 | -109.1 | 0 | 0 | 112.4 | F339 S412 S413 V420 G421 E422 | F339-E416 HydrophobicContact CB-CG 4.08Å; F339-E416 HydrophobicContact CD1-CG 3.2Å; F339-E416 WeakPolarHBondContact CD1-OE1 3.45Å; F339-E416 HydrophobicContact CE1-CG 3.71Å; F339-E416 WeakPolarHBondContact CE1-OE1 3.28Å; F339-E416 HydrophobicContact CG-CG 3.8Å; S412-E416 WeakPolarHBondContact CA-OE2 3.02Å; S413-E416 WeakPolarHBondContact CB-OE1 3.16Å; S413-E416 PolarHBondContact N-OE1 3.3Å; S413-E416 PolarHBondContact O-N 2.84Å; S413-E416 VanDerWaalsContact OG-CD 3.3Å; S413-E416 WeakPolarHBondContact OG-CG 3.42Å; S413-E416 PolarHBondContact OG-N 2.89Å; S413-E416 PolarHBondContact OG-OE1 3.44Å; E416-V420 PolarHBondContact O-N 3.07Å; E416-G421 PolarHBondContact O-N 2.72Å; E416-E422 HydrophobicContact CB-CG 4.19Å |
| 417 | H | 93 | Very high | 86.6 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -64.5 | -45.8 | -177.6 | -170.5 | 88.9 | 0 | 0 | 0 | 113.2 | R405 S413 E422 S429 G430 L431 S527 T528 | R405-H417 VanDerWaalsContact NH2-CB 3.34Å; S413-H417 PolarHBondContact O-N 3.39Å; H417-E422 IonicContact CE1-OE2 3.48Å; H417-E422 IonicContact CG-OE2 2.6Å; H417-E422 PolarHBondContact N-OE1 2.96Å; H417-E422 IonicContact ND1-OE2 2.78Å; H417-E422 PolarHBondContact ND1-OE2 3.06Å; H417-S429 PolarHBondContact CE1-OG 3.36Å; H417-G430 CarbonylContact O-C 3.44Å; H417-G430 WeakPolarHBondContact O-CA 3.23Å; H417-L431 PolarHBondContact O-N 2.76Å; H417-S527 PolarHBondContact CD2-O 2.9Å; H417-T528 PolarHBondContact CD2-OG1 2.93Å; H417-T528 VanDerWaalsContact CD2-OG1 3.24Å; H417-T528 WeakPolarHBondContact NE2-CB 3.47Å; H417-T528 PolarHBondContact NE2-OG1 2.86Å |
| 418 | V | 94.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -74.9 | -49.2 | -175.4 | 178 | 0 | 0 | 0 | 0 | 110.4 | W399 A414 H432 N433 | W399-V418 HydrophobicContact CH2-CG1 4.47Å; W399-V418 HydrophobicContact CZ3-CB 4.09Å; W399-V418 HydrophobicContact CZ3-CG1 4.31Å; W399-V418 HydrophobicContact CZ3-CG2 4.1Å; A414-V418 WeakPolarHBondContact O-CB 3.42Å; A414-V418 VanDerWaalsContact O-CG2 3.31Å; A414-V418 WeakPolarHBondContact O-CG2 3.2Å; A414-V418 PolarHBondContact O-N 2.75Å; A414-V418 VanDerWaalsContact O-N 3.1Å; V418-H432 CarbonylContact O-C 3.55Å; V418-H432 WeakPolarHBondContact O-CA 3.26Å; V418-H432 WeakPolarHBondContact O-CB 3.32Å; V418-H432 PolarHBondContact O-N 3.17Å; V418-N433 PolarHBondContact O-N 2.94Å |
| 419 | F | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -98.2 | -51 | -171 | -69.9 | -85.2 | 0 | 0 | 0 | 114.3 | F332 W399 F415 N433 R436 D485 M486 | F332-F419 HydrophobicContact CE2-CB 3.71Å; F332-F419 AromaticContact CE2-CD1 3.48Å; F332-F419 HydrophobicContact CE2-CD1 3.48Å; F332-F419 VanDerWaalsContact CE2-CD1 3.48Å; F332-F419 HydrophobicContact CE2-CE1 4.33Å; F332-F419 AromaticContact CE2-CG 3.81Å; F332-F419 HydrophobicContact CE2-CG 3.81Å; F332-F419 HydrophobicContact CZ-CB 3.9Å; F332-F419 AromaticContact CZ-CD1 3.75Å; F332-F419 HydrophobicContact CZ-CD1 3.75Å; F332-F419 HydrophobicContact CZ-CG 4.23Å; W399-F419 HydrophobicContact CE3-CE2 4.21Å; W399-F419 AromaticContact CH2-CE2 3.99Å; W399-F419 HydrophobicContact CH2-CE2 3.99Å; W399-F419 HydrophobicContact CZ3-CD2 4.11Å; W399-F419 AromaticContact CZ3-CE2 3.64Å; W399-F419 HydrophobicContact CZ3-CE2 3.64Å; F415-F419 HydrophobicContact CD2-CB 4.35Å; F415-F419 AromaticContact CD2-CD2 3.62Å; F415-F419 HydrophobicContact CD2-CD2 3.62Å; F415-F419 HydrophobicContact CD2-CE2 4.22Å; F415-F419 HydrophobicContact CD2-CG 4.18Å; F415-F419 HydrophobicContact CE2-CB 4.19Å; F415-F419 AromaticContact CE2-CD2 3.9Å; F415-F419 HydrophobicContact CE2-CD2 3.9Å; F415-F419 HydrophobicContact CE2-CE2 4.49Å; F415-F419 HydrophobicContact CE2-CG 4.05Å; F415-F419 HydrophobicContact CG-CD2 4.31Å; F415-F419 HydrophobicContact CZ-CB 4.29Å; F415-F419 WeakPolarHBondContact O-CA 3.26Å; F415-F419 VanDerWaalsContact O-CB 3.31Å; F415-F419 WeakPolarHBondContact O-CB 3.2Å; F415-F419 PolarHBondContact O-N 3.31Å; F419-N433 HydrophobicContact CB-CB 4.48Å; F419-N433 HydrophobicContact CD1-CB 3.66Å; F419-N433 HydrophobicContact CE1-CB 4.34Å; F419-N433 HydrophobicContact CG-CB 4.41Å; F419-R436 WeakPolarHBondContact O-CB 3.4Å; F419-R436 VanDerWaalsContact O-CG 3.25Å; F419-R436 WeakPolarHBondContact O-CG 3.41Å; F419-D485 HydrophobicContact CE1-CB 3.59Å; F419-D485 HydrophobicContact CZ-CB 3.65Å; F419-M486 HydrophobicContact CE2-CB 4.45Å; F419-M486 HydrophobicContact CZ-CB 4.06Å |
| 420 | V | 94.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -81.7 | -41.6 | -166.8 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | M336 F339 F415 E416 R436 | M336-V420 WeakPolarHBondContact O-CG1 3.36Å; F339-V420 HydrophobicContact CB-CG1 4.22Å; F339-V420 HydrophobicContact CD2-CG2 3.95Å; F339-V420 HydrophobicContact CE2-CG2 4.37Å; F339-V420 HydrophobicContact CG-CG2 4.33Å; F415-V420 HydrophobicContact CD1-CG2 3.83Å; F415-V420 HydrophobicContact CE1-CG2 3.67Å; F415-V420 PolarHBondContact O-N 3.26Å; E416-V420 PolarHBondContact O-N 3.07Å; V420-R436 VanDerWaalsContact O-CG 3.32Å; V420-R436 WeakPolarHBondContact O-CG 2.95Å; V420-R436 PolarHBondContact O-NE 3.29Å |
| 421 | G | 92.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | trans | 95.4 | 132.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P341 E416 W466 | P341-G421 WeakPolarHBondContact CB-O 3.48Å; E416-G421 PolarHBondContact O-N 2.72Å; G421-W466 WeakPolarHBondContact O-CH2 2.93Å; G421-W466 WeakPolarHBondContact O-CZ3 3.13Å | ||
| 422 | E | 91.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | trans | -120.7 | 158.7 | 175.3 | -51.3 | 159.2 | 155.2 | 0 | 0 | 109.9 | P341 I343 R405 S412 E416 H417 V428 S429 | P341-E422 CarbonylContact O-C 3.58Å; P341-E422 VanDerWaalsContact O-CA 3.3Å; P341-E422 WeakPolarHBondContact O-CA 3.44Å; I343-E422 HydrophobicContact CD1-CB 3.9Å; I343-E422 HydrophobicContact CG1-CB 3.89Å; R405-E422 IonicContact CZ-OE1 3.4Å; R405-E422 IonicContact CZ-OE2 3.82Å; R405-E422 IonicContact NE-OE1 3.65Å; R405-E422 PolarHBondContact NE-OE1 2.85Å; R405-E422 IonicContact NE-OE2 3.33Å; R405-E422 PolarHBondContact NE-OE2 2.9Å; R405-E422 IonicContact NH2-OE1 2.66Å; R405-E422 PolarHBondContact NH2-OE1 3.19Å; R405-E422 IonicContact NH2-OE2 3.46Å; S412-E422 PolarHBondContact OG-OE1 3.2Å; E416-E422 HydrophobicContact CB-CG 4.19Å; H417-E422 IonicContact CE1-OE2 3.48Å; H417-E422 IonicContact CG-OE2 2.6Å; H417-E422 PolarHBondContact N-OE1 2.96Å; H417-E422 IonicContact ND1-OE2 2.78Å; H417-E422 PolarHBondContact ND1-OE2 3.06Å; E422-V428 CarbonylContact O-C 3.24Å; E422-V428 WeakPolarHBondContact O-CA 3.47Å; E422-V428 WeakPolarHBondContact O-CG1 3.48Å; E422-S429 PolarHBondContact O-N 3.27Å | ||
| 423 | M | 90 | Very high | 91.8 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 141 | -176.6 | 52.2 | 177.8 | 78.8 | 0 | 0 | 113 | P341 Q342 I343 L427 W466 K469 | P341-M423 HydrophobicContact CB-CE 4Å; P341-M423 HydrophobicContact CB-CG 4.16Å; P341-M423 HydrophobicContact CB-SD 4.49Å; P341-M423 HydrophobicContact CG-CE 4.08Å; P341-M423 HydrophobicContact CG-SD 4.42Å; P341-M423 WeakPolarHBondContact O-CG 3.28Å; P341-M423 PolarHBondContact O-N 3.46Å; Q342-M423 HydrophobicContact CG-CG 4.49Å; I343-M423 PolarHBondContact N-O 3.41Å; M423-L427 CarbonylContact C-O 3.45Å; M423-L427 VanDerWaalsContact CA-O 3.25Å; M423-L427 WeakPolarHBondContact CA-O 3.38Å; M423-L427 WeakPolarHBondContact CB-O 3.47Å; M423-W466 HydrophobicContact CE-CD2 3.44Å; M423-W466 VanDerWaalsContact CE-CD2 3.44Å; M423-W466 VanDerWaalsContact CE-CE2 3.47Å; M423-W466 HydrophobicContact CE-CE3 3.44Å; M423-W466 VanDerWaalsContact CE-CE3 3.44Å; M423-W466 HydrophobicContact CE-CG 4.19Å; M423-W466 HydrophobicContact CE-CH2 3.61Å; M423-W466 HydrophobicContact CE-CZ2 3.58Å; M423-W466 HydrophobicContact CE-CZ3 3.51Å; M423-K469 HydrophobicContact CB-CD 3.79Å; M423-K469 HydrophobicContact CG-CD 4.15Å; M423-K469 HydrophobicContact SD-CD 3.66Å; M423-K469 PolarHBondContact SD-NZ 3.28Å |
| 424 | E | 85.1 | Confident | 92 | Very high | 34 Ų | 34 | 21.7 Ų | 21.7 | 16% | 0.159 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.4 | 179.2 | -160.4 | -156.9 | 142.7 | 0 | 0 | 109.3 | I343 R406 G426 L427 | I343-E424 HydrophobicContact CB-CB 4.04Å; I343-E424 HydrophobicContact CB-CG 4.16Å; I343-E424 HydrophobicContact CD1-CB 4.23Å; I343-E424 HydrophobicContact CG2-CB 4.45Å; I343-E424 HydrophobicContact CG2-CG 4.19Å; R406-E424 VanDerWaalsContact CD-OE2 3.23Å; R406-E424 WeakPolarHBondContact CD-OE2 3.15Å; R406-E424 IonicContact CZ-OE2 2.77Å; R406-E424 IonicContact NE-OE2 2.94Å; R406-E424 IonicContact NH1-OE1 3.54Å; R406-E424 PolarHBondContact NH1-OE1 2.86Å; R406-E424 IonicContact NH1-OE2 3.53Å; R406-E424 PolarHBondContact NH1-OE2 2.84Å; E424-G426 VanDerWaalsContact C-N 3.26Å; E424-G426 PolarHBondContact O-N 3.37Å; E424-L427 PolarHBondContact N-O 2.97Å; E424-L427 PolarHBondContact O-N 2.72Å |
| 425 | K | 83.4 | Confident | 92.1 | Very high | 177 Ų | 177 | 21.8 Ų | 21.8 | 77% | 0.77 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 41.6 | 169.4 | -70.2 | 168.4 | -178.2 | 139.7 | 0 | 115.2 | L427 | K425-L427 VanDerWaalsContact C-N 3.26Å; K425-L427 PolarHBondContact O-N 2.85Å |
| 426 | G | 82.6 | Confident | 92.2 | Very high | 40 Ų | 40 | 22.4 Ų | 22.4 | 41% | 0.412 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E424 K469 V470 | E424-G426 VanDerWaalsContact C-N 3.26Å; E424-G426 PolarHBondContact O-N 3.37Å; G426-K469 CarbonylContact O-C 3.59Å; G426-K469 VanDerWaalsContact O-CA 3.23Å; G426-K469 WeakPolarHBondContact O-CA 3.5Å; G426-K469 VanDerWaalsContact O-CB 3.31Å; G426-K469 WeakPolarHBondContact O-CB 3.4Å; G426-V470 PolarHBondContact O-N 3.25Å |
| 427 | L | 91 | Very high | 92.3 | Very high | 103 Ų | 103 | 22.2 Ų | 22.2 | 54% | 0.539 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 157.9 | 177.4 | -60.1 | 178.6 | 0 | 0 | 0 | 111.3 | M423 E424 K425 V470 | M423-L427 CarbonylContact C-O 3.45Å; M423-L427 VanDerWaalsContact CA-O 3.25Å; M423-L427 WeakPolarHBondContact CA-O 3.38Å; M423-L427 WeakPolarHBondContact CB-O 3.47Å; E424-L427 PolarHBondContact N-O 2.97Å; E424-L427 PolarHBondContact O-N 2.72Å; K425-L427 VanDerWaalsContact C-N 3.26Å; K425-L427 PolarHBondContact O-N 2.85Å; L427-V470 WeakPolarHBondContact CA-O 3.03Å; L427-V470 HydrophobicContact CD2-CB 4.25Å |
| 428 | V | 92.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 6% | 0.055 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.2 | 164.3 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | E422 L431 F464 W466 K469 V470 K471 | E422-V428 CarbonylContact O-C 3.24Å; E422-V428 WeakPolarHBondContact O-CA 3.47Å; E422-V428 WeakPolarHBondContact O-CG1 3.48Å; V428-L431 HydrophobicContact CG1-CB 4.43Å; V428-F464 HydrophobicContact CG1-CE2 4.31Å; V428-F464 HydrophobicContact CG1-CZ 4.49Å; V428-F464 HydrophobicContact CG2-CE2 4.47Å; V428-W466 HydrophobicContact CG1-CE3 4.09Å; V428-W466 HydrophobicContact CG1-CZ3 4.49Å; V428-W466 HydrophobicContact CG2-CB 4.08Å; V428-W466 HydrophobicContact CG2-CE3 4.09Å; V428-K469 HydrophobicContact CG2-CB 4.17Å; V428-V470 PolarHBondContact N-O 2.65Å; V428-K471 HydrophobicContact CB-CB 4.01Å; V428-K471 HydrophobicContact CB-CD 4.14Å; V428-K471 HydrophobicContact CG1-CB 4.45Å; V428-K471 HydrophobicContact CG1-CD 4.22Å; V428-K471 VanDerWaalsContact O-CD 3.26Å; V428-K471 WeakPolarHBondContact O-CD 3.34Å |
| 429 | S | 89 | Confident | 92.4 | Very high | 48 Ų | 48 | 22.8 Ų | 22.8 | 34% | 0.336 | 13% | 0.126 | S | C | . | . | trans | -85.6 | -65.7 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | H417 E422 K471 | H417-S429 PolarHBondContact CE1-OG 3.36Å; E422-S429 PolarHBondContact O-N 3.27Å; S429-K471 WeakPolarHBondContact O-CE 3.49Å; S429-K471 PolarHBondContact O-NZ 2.78Å | ||
| 430 | G | 90.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -96.7 | -133.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H417 K471 | H417-G430 CarbonylContact O-C 3.44Å; H417-G430 WeakPolarHBondContact O-CA 3.23Å; G430-K471 WeakPolarHBondContact O-CE 3.27Å | ||
| 431 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 67.7 | 85.8 | -171.8 | -177 | 48.8 | 0 | 0 | 0 | 112.8 | H417 V428 R436 L440 F464 W466 S474 | H417-L431 PolarHBondContact O-N 2.76Å; V428-L431 HydrophobicContact CG1-CB 4.43Å; L431-R436 HydrophobicContact CD1-CB 3.74Å; L431-R436 HydrophobicContact CD1-CG 3.43Å; L431-R436 VanDerWaalsContact CD1-CG 3.43Å; L431-L440 HydrophobicContact CD2-CD1 3.75Å; L431-F464 HydrophobicContact CB-CZ 4.16Å; L431-F464 HydrophobicContact CD2-CE2 3.96Å; L431-F464 HydrophobicContact CD2-CZ 3.71Å; L431-F464 HydrophobicContact CG-CZ 3.94Å; L431-W466 HydrophobicContact CD2-CE3 4.27Å; L431-S474 WeakPolarHBondContact O-CB 3.33Å; L431-S474 PolarHBondContact O-OG 3.37Å | ||
| 432 | H | 95.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | trans | -122.7 | 9.3 | -176.1 | -73.4 | -83.5 | 0 | 0 | 0 | 113.8 | V418 K471 S474 S475 M476 F530 | V418-H432 CarbonylContact O-C 3.55Å; V418-H432 WeakPolarHBondContact O-CA 3.26Å; V418-H432 WeakPolarHBondContact O-CB 3.32Å; V418-H432 PolarHBondContact O-N 3.17Å; H432-K471 PolarHBondContact NE2-NZ 2.81Å; H432-S474 PolarHBondContact CE1-OG 3.4Å; H432-S474 PolarHBondContact ND1-OG 2.92Å; H432-S474 VanDerWaalsContact ND1-OG 3.13Å; H432-S475 PolarHBondContact ND1-N 3.41Å; H432-S475 PolarHBondContact ND1-O 3.14Å; H432-M476 WeakPolarHBondContact O-CA 3.33Å; H432-M476 WeakPolarHBondContact O-CB 3.35Å; H432-F530 HydrophobicContact CB-CB 4.24Å; H432-F530 AromaticContact CE1-CD1 3.78Å; H432-F530 AromaticContact CE1-CG 3.83Å; H432-F530 VanDerWaalsContact ND1-CB 3.32Å; H432-F530 WeakPolarHBondContact ND1-CB 3.32Å; H432-F530 AromaticContact ND1-CG 3.83Å | ||
| 433 | N | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -108 | 135.6 | 174.3 | 172.5 | -94.6 | 0 | 0 | 0 | 112.5 | V418 F419 I435 R436 Y437 D485 | V418-N433 PolarHBondContact O-N 2.94Å; F419-N433 HydrophobicContact CB-CB 4.48Å; F419-N433 HydrophobicContact CD1-CB 3.66Å; F419-N433 HydrophobicContact CE1-CB 4.34Å; F419-N433 HydrophobicContact CG-CB 4.41Å; N433-I435 WeakPolarHBondContact OD1-CA 3.21Å; N433-I435 VanDerWaalsContact OD1-CB 3.32Å; N433-I435 WeakPolarHBondContact OD1-CB 3.24Å; N433-I435 PolarHBondContact OD1-N 3.31Å; N433-R436 PolarHBondContact OD1-N 3.33Å; N433-Y437 PolarHBondContact O-N 3.29Å; N433-D485 PolarHBondContact ND2-OD2 3.32Å | ||
| 434 | W | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.4 | -32.2 | -175.4 | 77.8 | -88.4 | 0 | 0 | 0 | 113.8 | A277 T282 F284 V319 Y323 G438 M476 F477 L478 S480 | A277-W434 HydrophobicContact CB-CH2 3.93Å; A277-W434 HydrophobicContact CB-CZ2 3.88Å; T282-W434 HydrophobicContact CG2-CH2 3.83Å; T282-W434 HydrophobicContact CG2-CZ3 3.84Å; F284-W434 HydrophobicContact CE1-CD2 4.31Å; F284-W434 AromaticContact CE1-CE3 3.75Å; F284-W434 HydrophobicContact CE1-CE3 3.75Å; F284-W434 HydrophobicContact CE1-CZ3 4.34Å; F284-W434 AromaticContact CZ-CD2 3.99Å; F284-W434 HydrophobicContact CZ-CD2 3.99Å; F284-W434 AromaticContact CZ-CE3 3.63Å; F284-W434 HydrophobicContact CZ-CE3 3.63Å; F284-W434 HydrophobicContact CZ-CZ3 4.01Å; V319-W434 HydrophobicContact CG2-CZ3 4.06Å; Y323-W434 HydrophobicContact CD1-CH2 4.14Å; Y323-W434 AromaticContact CE1-CH2 3.67Å; Y323-W434 HydrophobicContact CE1-CH2 3.67Å; Y323-W434 AromaticContact CE1-CZ2 3.64Å; Y323-W434 HydrophobicContact CE1-CZ2 3.64Å; Y323-W434 AromaticContact CZ-CZ2 3.73Å; W434-G438 PolarHBondContact O-N 2.8Å; W434-M476 HydrophobicContact CB-CG 4.34Å; W434-M476 HydrophobicContact CB-SD 3.8Å; W434-F477 WeakPolarHBondContact CB-O 3.22Å; W434-L478 HydrophobicContact CB-CD2 4.3Å; W434-S480 PolarHBondContact NE1-O 3.49Å |
| 435 | I | 96.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -50.9 | -179.7 | -53 | 172 | 0 | 0 | 0 | 108.7 | Y323 F332 L333 N433 Y437 G438 T439 P482 | Y323-I435 HydrophobicContact CE1-CD1 4.05Å; Y323-I435 HydrophobicContact CE1-CG1 4.26Å; F332-I435 HydrophobicContact CD1-CB 4.49Å; F332-I435 HydrophobicContact CD1-CG2 4.24Å; F332-I435 HydrophobicContact CE1-CB 4.07Å; F332-I435 HydrophobicContact CE1-CG2 4.18Å; L333-I435 HydrophobicContact CD2-CG2 3.87Å; L333-I435 HydrophobicContact CG-CG2 4.49Å; N433-I435 WeakPolarHBondContact OD1-CA 3.21Å; N433-I435 VanDerWaalsContact OD1-CB 3.32Å; N433-I435 WeakPolarHBondContact OD1-CB 3.24Å; N433-I435 PolarHBondContact OD1-N 3.31Å; I435-Y437 PolarHBondContact O-N 2.97Å; I435-G438 PolarHBondContact O-N 3.35Å; I435-T439 WeakPolarHBondContact O-CG2 3.19Å; I435-T439 PolarHBondContact O-N 2.76Å; I435-P482 HydrophobicContact CD1-CG 3.94Å |
| 436 | R | 95.7 | Very high | 93 | Very high | 13 Ų | 13 | 20 Ų | 20 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.4 | -51.7 | 176.2 | 178.2 | 60.7 | 169.6 | 175.4 | -8.8 | 111.2 | F332 M336 N337 F419 V420 L431 N433 G438 T439 L440 | F332-R436 HydrophobicContact CZ-CB 4.5Å; M336-R436 VanDerWaalsContact O-CZ 3.28Å; M336-R436 PolarHBondContact O-NH1 3.06Å; M336-R436 PolarHBondContact O-NH2 3.2Å; M336-R436 VanDerWaalsContact O-NH2 3.15Å; M336-R436 HydrophobicContact SD-CB 4.49Å; M336-R436 VanDerWaalsContact SD-CD 3.5Å; N337-R436 PolarHBondContact OD1-NH1 3.48Å; F419-R436 WeakPolarHBondContact O-CB 3.4Å; F419-R436 VanDerWaalsContact O-CG 3.25Å; F419-R436 WeakPolarHBondContact O-CG 3.41Å; V420-R436 VanDerWaalsContact O-CG 3.32Å; V420-R436 WeakPolarHBondContact O-CG 2.95Å; V420-R436 PolarHBondContact O-NE 3.29Å; L431-R436 HydrophobicContact CD1-CB 3.74Å; L431-R436 HydrophobicContact CD1-CG 3.43Å; L431-R436 VanDerWaalsContact CD1-CG 3.43Å; N433-R436 PolarHBondContact OD1-N 3.33Å; R436-G438 VanDerWaalsContact C-N 3.32Å; R436-G438 PolarHBondContact O-N 2.79Å; R436-T439 PolarHBondContact O-N 3.07Å; R436-T439 VanDerWaalsContact O-N 3.12Å; R436-T439 PolarHBondContact O-OG1 3.18Å; R436-L440 HydrophobicContact CG-CD1 4.29Å; R436-L440 PolarHBondContact O-N 3.26Å; R436-L440 VanDerWaalsContact O-N 3.12Å |
| 437 | Y | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.8 | -48.5 | 177.5 | 176.1 | -89.6 | 0 | 0 | 0 | 111.6 | F315 V316 N433 I435 T439 L440 E441 A446 Y448 I462 F464 M476 | F315-Y437 HydrophobicContact CB-CE1 4.05Å; F315-Y437 HydrophobicContact CD1-CD1 4.12Å; F315-Y437 AromaticContact CD1-CE1 3.79Å; F315-Y437 HydrophobicContact CD1-CE1 3.79Å; F315-Y437 HydrophobicContact CG-CE1 4.38Å; V316-Y437 HydrophobicContact CG2-CD1 3.93Å; V316-Y437 HydrophobicContact CG2-CE1 4.25Å; N433-Y437 PolarHBondContact O-N 3.29Å; I435-Y437 PolarHBondContact O-N 2.97Å; Y437-T439 VanDerWaalsContact C-N 3.27Å; Y437-T439 PolarHBondContact O-N 3.41Å; Y437-L440 PolarHBondContact O-N 2.93Å; Y437-E441 HydrophobicContact CE1-CB 4.02Å; Y437-E441 HydrophobicContact CE1-CG 4.31Å; Y437-E441 WeakPolarHBondContact CE1-OE2 3.03Å; Y437-E441 WeakPolarHBondContact O-CB 3.36Å; Y437-E441 PolarHBondContact O-N 3.19Å; Y437-E441 VanDerWaalsContact OH-CD 3.24Å; Y437-E441 PolarHBondContact OH-OE1 2.03Å; Y437-A446 HydrophobicContact CE2-CB 4.06Å; Y437-Y448 WeakPolarHBondContact OH-CA 3.48Å; Y437-Y448 WeakPolarHBondContact OH-CB 3.36Å; Y437-Y448 PolarHBondContact OH-N 2.7Å; Y437-I462 HydrophobicContact CD1-CD1 4.25Å; Y437-I462 HydrophobicContact CD2-CD1 4.15Å; Y437-I462 HydrophobicContact CE1-CD1 4.16Å; Y437-I462 HydrophobicContact CE2-CD1 4.03Å; Y437-I462 HydrophobicContact CG-CD1 4.27Å; Y437-F464 AromaticContact CD2-CD1 3.82Å; Y437-F464 HydrophobicContact CD2-CD1 3.82Å; Y437-F464 HydrophobicContact CD2-CD2 4.42Å; Y437-F464 AromaticContact CD2-CE1 3.89Å; Y437-F464 HydrophobicContact CD2-CE1 3.89Å; Y437-F464 HydrophobicContact CD2-CE2 4.49Å; Y437-F464 HydrophobicContact CD2-CG 4.1Å; Y437-F464 HydrophobicContact CD2-CZ 4.24Å; Y437-F464 HydrophobicContact CE2-CB 3.7Å; Y437-F464 AromaticContact CE2-CD1 3.54Å; Y437-F464 HydrophobicContact CE2-CD1 3.54Å; Y437-F464 HydrophobicContact CE2-CD2 4.04Å; Y437-F464 HydrophobicContact CE2-CE1 4.1Å; Y437-F464 AromaticContact CE2-CG 3.51Å; Y437-F464 HydrophobicContact CE2-CG 3.51Å; Y437-M476 HydrophobicContact CG-CE 4.34Å |
| 438 | G | 94.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.4 | -29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | W434 I435 R436 A442 | W434-G438 PolarHBondContact O-N 2.8Å; I435-G438 PolarHBondContact O-N 3.35Å; R436-G438 VanDerWaalsContact C-N 3.32Å; R436-G438 PolarHBondContact O-N 2.79Å; G438-A442 WeakPolarHBondContact O-CB 3.18Å; G438-A442 PolarHBondContact O-N 3.05Å |
| 439 | T | 94 | Very high | 93.1 | Very high | 29 Ų | 29 | 16 Ų | 16 | 18% | 0.178 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -77.2 | -37.1 | 174.1 | 62.7 | 0 | 0 | 0 | 0 | 113.8 | L333 M336 I435 R436 Y437 E441 A442 S443 | L333-T439 HydrophobicContact CD2-CG2 3.64Å; M336-T439 HydrophobicContact CE-CG2 3.95Å; M336-T439 WeakPolarHBondContact CE-OG1 3.28Å; I435-T439 WeakPolarHBondContact O-CG2 3.19Å; I435-T439 PolarHBondContact O-N 2.76Å; R436-T439 PolarHBondContact O-N 3.07Å; R436-T439 VanDerWaalsContact O-N 3.12Å; R436-T439 PolarHBondContact O-OG1 3.18Å; Y437-T439 VanDerWaalsContact C-N 3.27Å; Y437-T439 PolarHBondContact O-N 3.41Å; T439-E441 VanDerWaalsContact C-N 3.33Å; T439-A442 PolarHBondContact O-N 3.05Å; T439-S443 WeakPolarHBondContact O-CB 3.18Å; T439-S443 PolarHBondContact O-N 3.38Å; T439-S443 VanDerWaalsContact O-N 3.14Å; T439-S443 PolarHBondContact O-OG 3.41Å |
| 440 | L | 94 | Very high | 92.9 | Very high | 12 Ų | 12 | 13.8 Ų | 13.8 | 6% | 0.063 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.8 | -37.8 | 172.6 | -65.6 | 172.5 | 0 | 0 | 0 | 110.8 | L431 R436 Y437 S443 G444 H445 A446 W466 | L431-L440 HydrophobicContact CD2-CD1 3.75Å; R436-L440 HydrophobicContact CG-CD1 4.29Å; R436-L440 PolarHBondContact O-N 3.26Å; R436-L440 VanDerWaalsContact O-N 3.12Å; Y437-L440 PolarHBondContact O-N 2.93Å; L440-S443 PolarHBondContact O-N 3.05Å; L440-S443 PolarHBondContact O-OG 2.97Å; L440-G444 PolarHBondContact O-N 2.87Å; L440-H445 HydrophobicContact CB-CB 4.47Å; L440-H445 HydrophobicContact CD2-CB 4.26Å; L440-H445 PolarHBondContact O-N 3.26Å; L440-A446 HydrophobicContact CB-CB 3.67Å; L440-A446 PolarHBondContact O-N 2.77Å; L440-W466 HydrophobicContact CD1-CD2 3.91Å; L440-W466 HydrophobicContact CD1-CE3 4.4Å; L440-W466 HydrophobicContact CD1-CG 4.3Å; L440-W466 HydrophobicContact CD1-CH2 4.4Å; L440-W466 HydrophobicContact CD1-CZ2 3.93Å; L440-W466 HydrophobicContact CD2-CZ2 4.24Å |
| 441 | E | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.3 | -34.5 | 175 | -160.8 | 179.6 | -133.8 | 0 | 0 | 111.7 | Q310 R314 F315 V316 Y437 T439 S443 G444 A446 Y448 | Q310-E441 PolarHBondContact NE2-O 3.21Å; R314-E441 HydrophobicContact CB-CG 4.08Å; R314-E441 WeakPolarHBondContact CB-OE2 3.46Å; R314-E441 WeakPolarHBondContact CD-O 3.32Å; R314-E441 HydrophobicContact CG-CG 3.87Å; F315-E441 VanDerWaalsContact N-CD 3.26Å; F315-E441 PolarHBondContact N-OE1 3.22Å; F315-E441 PolarHBondContact N-OE2 2.77Å; V316-E441 PolarHBondContact N-OE2 2.75Å; Y437-E441 HydrophobicContact CE1-CB 4.02Å; Y437-E441 HydrophobicContact CE1-CG 4.31Å; Y437-E441 WeakPolarHBondContact CE1-OE2 3.03Å; Y437-E441 WeakPolarHBondContact O-CB 3.36Å; Y437-E441 PolarHBondContact O-N 3.19Å; Y437-E441 VanDerWaalsContact OH-CD 3.24Å; Y437-E441 PolarHBondContact OH-OE1 2.03Å; T439-E441 VanDerWaalsContact C-N 3.33Å; E441-S443 PolarHBondContact O-N 2.88Å; E441-G444 PolarHBondContact O-N 2.97Å; E441-A446 HydrophobicContact CB-CB 4.25Å; E441-Y448 WeakPolarHBondContact OE1-CB 3.34Å; E441-Y448 PolarHBondContact OE1-N 3.28Å |
| 442 | A | 90.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 17.6 Ų | 17.6 | 39% | 0.388 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -62.4 | -31.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | G438 T439 | G438-A442 WeakPolarHBondContact O-CB 3.18Å; G438-A442 PolarHBondContact O-N 3.05Å; T439-A442 PolarHBondContact O-N 3.05Å |
| 443 | S | 90.8 | Very high | 91.1 | Very high | 39 Ų | 39 | 18.5 Ų | 18.5 | 27% | 0.273 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 6.5 | -176.7 | 57.5 | 0 | 0 | 0 | 0 | 115 | N306 T439 L440 E441 H445 | N306-S443 PolarHBondContact ND2-O 3.34Å; T439-S443 WeakPolarHBondContact O-CB 3.18Å; T439-S443 PolarHBondContact O-N 3.38Å; T439-S443 VanDerWaalsContact O-N 3.14Å; T439-S443 PolarHBondContact O-OG 3.41Å; L440-S443 PolarHBondContact O-N 3.05Å; L440-S443 PolarHBondContact O-OG 2.97Å; E441-S443 PolarHBondContact O-N 2.88Å; S443-H445 VanDerWaalsContact C-N 3.26Å; S443-H445 PolarHBondContact O-N 3.44Å; S443-H445 PolarHBondContact O-ND1 2.95Å; S443-H445 PolarHBondContact OG-ND1 2.89Å |
| 444 | G | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -19.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F308 L440 E441 A446 | F308-G444 WeakPolarHBondContact CB-O 3.35Å; L440-G444 PolarHBondContact O-N 2.87Å; E441-G444 PolarHBondContact O-N 2.97Å; G444-A446 VanDerWaalsContact C-N 3.32Å; G444-A446 PolarHBondContact O-N 2.99Å |
| 445 | H | 92.4 | Very high | 89.1 | Confident | 61 Ų | 61 | 21.4 Ų | 21.4 | 28% | 0.282 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -63 | -34.9 | -178.4 | -63.1 | 106.2 | 0 | 0 | 0 | 113.4 | F308 L440 S443 W466 N467 | F308-H445 AromaticContact CE2-CD2 3.68Å; L440-H445 HydrophobicContact CB-CB 4.47Å; L440-H445 HydrophobicContact CD2-CB 4.26Å; L440-H445 PolarHBondContact O-N 3.26Å; S443-H445 VanDerWaalsContact C-N 3.26Å; S443-H445 PolarHBondContact O-N 3.44Å; S443-H445 PolarHBondContact O-ND1 2.95Å; S443-H445 PolarHBondContact OG-ND1 2.89Å; H445-W466 CarbonylContact O-C 3.35Å; H445-W466 WeakPolarHBondContact O-CA 3.12Å; H445-N467 WeakPolarHBondContact CB-OD1 3.28Å; H445-N467 PolarHBondContact CD2-OD1 3.29Å; H445-N467 PolarHBondContact O-N 3.41Å |
| 446 | A | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 148.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q310 Y437 L440 E441 G444 T465 | Q310-A446 PolarHBondContact NE2-O 2.76Å; Y437-A446 HydrophobicContact CE2-CB 4.06Å; L440-A446 HydrophobicContact CB-CB 3.67Å; L440-A446 PolarHBondContact O-N 2.77Å; E441-A446 HydrophobicContact CB-CB 4.25Å; G444-A446 VanDerWaalsContact C-N 3.32Å; G444-A446 PolarHBondContact O-N 2.99Å; A446-T465 CarbonylContact C-O 3.47Å; A446-T465 VanDerWaalsContact CA-O 3.27Å; A446-T465 WeakPolarHBondContact CA-O 3.31Å |
| 447 | N | 91.1 | Very high | 87.6 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 10% | 0.096 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 123.5 | 174.2 | 168.9 | 82.6 | 0 | 0 | 0 | 110.5 | Q310 N311 F464 T465 | Q310-N447 WeakPolarHBondContact CA-OD1 3.45Å; N311-N447 WeakPolarHBondContact CB-OD1 3.45Å; N311-N447 PolarHBondContact N-OD1 3.33Å; N447-F464 WeakPolarHBondContact O-CA 3.11Å; N447-F464 WeakPolarHBondContact O-CB 3.09Å; N447-T465 PolarHBondContact N-O 2.84Å; N447-T465 PolarHBondContact O-N 3.48Å; N447-T465 PolarHBondContact O-OG1 2.66Å |
| 448 | Y | 90.9 | Very high | 87.2 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 143.6 | 174.8 | -175.9 | -138.3 | 0 | 0 | 0 | 113.1 | Y286 Q287 F315 Y437 E441 G450 Y451 I462 | Y286-Y448 WeakPolarHBondContact O-CE1 3.28Å; Y286-Y448 PolarHBondContact O-OH 3.48Å; Q287-Y448 HydrophobicContact CB-CE1 4.09Å; Q287-Y448 HydrophobicContact CG-CE1 4.22Å; F315-Y448 HydrophobicContact CB-CD1 3.87Å; F315-Y448 HydrophobicContact CB-CD2 4.05Å; F315-Y448 HydrophobicContact CB-CE1 4.25Å; F315-Y448 HydrophobicContact CB-CE2 4.44Å; F315-Y448 HydrophobicContact CB-CG 3.74Å; F315-Y448 HydrophobicContact CD2-CE1 4.12Å; F315-Y448 HydrophobicContact CD2-CE2 4.18Å; F315-Y448 AromaticContact CD2-CZ 3.89Å; F315-Y448 HydrophobicContact CG-CD2 4.4Å; F315-Y448 HydrophobicContact CG-CE2 4.39Å; Y437-Y448 WeakPolarHBondContact OH-CA 3.48Å; Y437-Y448 WeakPolarHBondContact OH-CB 3.36Å; Y437-Y448 PolarHBondContact OH-N 2.7Å; E441-Y448 WeakPolarHBondContact OE1-CB 3.34Å; E441-Y448 PolarHBondContact OE1-N 3.28Å; Y448-G450 VanDerWaalsContact CE2-CA 3.49Å; Y448-G450 WeakPolarHBondContact CE2-O 3.47Å; Y448-G450 VanDerWaalsContact CZ-C 3.47Å; Y448-G450 VanDerWaalsContact CZ-CA 3.4Å; Y448-Y451 PolarHBondContact OH-N 3Å; Y448-Y451 VanDerWaalsContact OH-N 3.09Å; Y448-I462 HydrophobicContact CD2-CB 4.25Å; Y448-I462 HydrophobicContact CD2-CG2 4.41Å; Y448-I462 HydrophobicContact CE2-CB 3.75Å; Y448-I462 HydrophobicContact CE2-CG2 3.6Å |
| 449 | T | 87.6 | Confident | 87.1 | Confident | 46 Ų | 46 | 23.5 Ų | 23.5 | 28% | 0.282 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 8.5 | 176.4 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | R290 G463 F464 T465 | R290-T449 WeakPolarHBondContact CA-O 3.05Å; R290-T449 WeakPolarHBondContact CD-OG1 3.32Å; R290-T449 WeakPolarHBondContact CG-O 3.47Å; R290-T449 PolarHBondContact NE-OG1 2.85Å; T449-G463 WeakPolarHBondContact CA-O 3.43Å; T449-G463 PolarHBondContact N-O 2.82Å; T449-G463 PolarHBondContact OG1-O 3.32Å; T449-F464 PolarHBondContact OG1-N 2.87Å; T449-T465 HydrophobicContact CG2-CG2 4.39Å |
| 450 | G | 84.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.9 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q288 Y448 G463 | Q288-G450 CarbonylContact O-C 3.53Å; Q288-G450 WeakPolarHBondContact O-CA 3.5Å; Y448-G450 VanDerWaalsContact CE2-CA 3.49Å; Y448-G450 WeakPolarHBondContact CE2-O 3.47Å; Y448-G450 VanDerWaalsContact CZ-C 3.47Å; Y448-G450 VanDerWaalsContact CZ-CA 3.4Å; G450-G463 PolarHBondContact O-N 3.12Å |
| 451 | Y | 87.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 22.3 Ų | 22.3 | 12% | 0.118 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 156.6 | 177.7 | 58.4 | -91.7 | 0 | 0 | 0 | 112.4 | Y286 Q288 L289 R290 Y448 G453 M455 T461 R542 | Y286-Y451 WeakPolarHBondContact O-CD1 3.25Å; Q288-Y451 WeakPolarHBondContact O-CD1 3.28Å; Q288-Y451 WeakPolarHBondContact O-CE1 3.25Å; Q288-Y451 PolarHBondContact O-N 3.08Å; Q288-Y451 VanDerWaalsContact O-N 3.1Å; L289-Y451 HydrophobicContact CB-CE2 4.05Å; L289-Y451 HydrophobicContact CD1-CD2 3.62Å; L289-Y451 HydrophobicContact CD1-CE2 3.54Å; L289-Y451 WeakPolarHBondContact CD1-O 3.39Å; L289-Y451 HydrophobicContact CG-CE2 4.43Å; R290-Y451 WeakPolarHBondContact CB-O 3.35Å; R290-Y451 PolarHBondContact N-O 2.91Å; Y448-Y451 PolarHBondContact OH-N 3Å; Y448-Y451 VanDerWaalsContact OH-N 3.09Å; Y451-G453 WeakPolarHBondContact CD2-O 3.49Å; Y451-M455 WeakPolarHBondContact CB-SD 3Å; Y451-M455 HydrophobicContact CD1-CG 4.23Å; Y451-M455 HydrophobicContact CD2-CG 4.17Å; Y451-M455 HydrophobicContact CG-CE 4.4Å; Y451-M455 HydrophobicContact CG-CG 3.91Å; Y451-M455 HydrophobicContact CG-SD 4.07Å; Y451-T461 WeakPolarHBondContact CA-O 3.3Å; Y451-R542 PolarHBondContact OH-NE 3.41Å; Y451-R542 PolarHBondContact OH-NH2 3.3Å |
| 452 | T | 82.3 | Confident | 86.8 | Confident | 51 Ų | 51 | 22.2 Ų | 22.2 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | trans | -123.8 | 0.8 | -179.6 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | R290 T461 T473 | R290-T452 HydrophobicContact CB-CG2 3.71Å; R290-T452 HydrophobicContact CG-CG2 4.15Å; T452-T461 PolarHBondContact N-O 2.86Å; T452-T461 PolarHBondContact OG1-O 2.82Å; T452-T473 WeakPolarHBondContact OG1-CG2 3.12Å; T452-T473 PolarHBondContact OG1-OG1 3.29Å | ||
| 453 | G | 73.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 20 Ų | 20 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -150.7 | -159.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y451 M455 | Y451-G453 WeakPolarHBondContact CD2-O 3.49Å; G453-M455 WeakPolarHBondContact O-CE 3.21Å |
| 454 | K | 74 | Confident | 87 | Confident | 55 Ų | 55 | 18.1 Ų | 18.1 | 24% | 0.239 | 11% | 0.11 | C | C | . | . | trans | -64.8 | 127.2 | 172.7 | -79.3 | -171.2 | 161.6 | -164.9 | 0 | 111.4 | A533 D534 K535 C537 E539 | K454-A533 HydrophobicContact CB-CB 3.75Å; K454-A533 HydrophobicContact CD-CB 3.96Å; K454-A533 HydrophobicContact CG-CB 4.42Å; K454-D534 PolarHBondContact NZ-O 3.24Å; K454-K535 PolarHBondContact NZ-O 2.92Å; K454-C537 HydrophobicContact CD-CB 4.4Å; K454-C537 PolarHBondContact NZ-O 3.25Å; K454-E539 HydrophobicContact CG-CG 4.4Å | ||
| 455 | M | 76.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 19.6 Ų | 19.6 | 3% | 0.034 | 12% | 0.118 | C | C | . | . | trans | -97.5 | 146.6 | 169.6 | -58.3 | -60.2 | 87.7 | 0 | 0 | 110.5 | Y286 Y451 G453 A460 T461 Y540 | Y286-M455 HydrophobicContact CD1-CB 3.73Å; Y286-M455 HydrophobicContact CD1-CG 3.49Å; Y286-M455 VanDerWaalsContact CD1-CG 3.49Å; Y286-M455 HydrophobicContact CD1-SD 3.58Å; Y286-M455 VanDerWaalsContact CD1-SD 3.58Å; Y286-M455 HydrophobicContact CE1-CB 3.84Å; Y286-M455 HydrophobicContact CE1-CG 4.05Å; Y286-M455 HydrophobicContact CE1-SD 4.01Å; Y286-M455 HydrophobicContact CG-CB 4.37Å; Y286-M455 HydrophobicContact CG-CG 4.15Å; Y451-M455 WeakPolarHBondContact CB-SD 3Å; Y451-M455 HydrophobicContact CD1-CG 4.23Å; Y451-M455 HydrophobicContact CD2-CG 4.17Å; Y451-M455 HydrophobicContact CG-CE 4.4Å; Y451-M455 HydrophobicContact CG-CG 3.91Å; Y451-M455 HydrophobicContact CG-SD 4.07Å; G453-M455 WeakPolarHBondContact O-CE 3.21Å; M455-A460 HydrophobicContact CE-CB 4.32Å; M455-A460 HydrophobicContact SD-CB 3.68Å; M455-T461 WeakPolarHBondContact CE-O 3.47Å; M455-Y540 PolarHBondContact O-N 2.95Å | ||
| 456 | S | 80.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | trans | -149.9 | 170.2 | 169.7 | 68.1 | 0 | 0 | 0 | 0 | 110.5 | Y286 A458 M459 P538 | Y286-S456 PolarHBondContact OH-O 3.16Å; S456-A458 PolarHBondContact O-N 3.06Å; S456-A458 VanDerWaalsContact O-N 3.1Å; S456-A458 WeakPolarHBondContact OG-CB 3.41Å; S456-A458 PolarHBondContact OG-N 2.92Å; S456-M459 PolarHBondContact N-O 3.48Å; S456-M459 PolarHBondContact O-N 2.93Å; S456-M459 VanDerWaalsContact O-O 3.09Å; S456-M459 PolarHBondContact OG-N 3.5Å; S456-M459 PolarHBondContact OG-O 3.27Å; S456-P538 VanDerWaalsContact CB-O 3.29Å; S456-P538 WeakPolarHBondContact CB-O 3.49Å | ||
| 457 | A | 80.7 | Confident | 87.1 | Confident | 57 Ų | 57 | 20 Ų | 20 | 47% | 0.471 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -65.4 | -7.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 458 | A | 88 | Confident | 87 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -95.3 | -39 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S456 L478 Y506 K507 C509 | S456-A458 PolarHBondContact O-N 3.06Å; S456-A458 VanDerWaalsContact O-N 3.1Å; S456-A458 WeakPolarHBondContact OG-CB 3.41Å; S456-A458 PolarHBondContact OG-N 2.92Å; A458-L478 PolarHBondContact O-N 2.92Å; A458-Y506 HydrophobicContact CB-CD1 3.92Å; A458-Y506 WeakPolarHBondContact CB-O 3.49Å; A458-Y506 WeakPolarHBondContact O-CE1 3.44Å; A458-K507 HydrophobicContact CB-CB 3.84Å; A458-C509 HydrophobicContact CB-CB 3.42Å; A458-C509 VanDerWaalsContact CB-CB 3.42Å |
| 459 | M | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 155.7 | -174.8 | 64.5 | 153.3 | -72.8 | 0 | 0 | 112.7 | S456 T461 M476 I511 P531 A533 | S456-M459 PolarHBondContact N-O 3.48Å; S456-M459 PolarHBondContact O-N 2.93Å; S456-M459 VanDerWaalsContact O-O 3.09Å; S456-M459 PolarHBondContact OG-N 3.5Å; S456-M459 PolarHBondContact OG-O 3.27Å; M459-T461 VanDerWaalsContact CE-OG1 3.24Å; M459-T461 WeakPolarHBondContact CE-OG1 3.18Å; M459-M476 VanDerWaalsContact CA-O 3.26Å; M459-M476 WeakPolarHBondContact CA-O 3.32Å; M459-M476 VanDerWaalsContact CB-O 3.29Å; M459-M476 WeakPolarHBondContact CB-O 3.15Å; M459-I511 HydrophobicContact CB-CD1 4.4Å; M459-I511 HydrophobicContact CG-CD1 4.01Å; M459-I511 HydrophobicContact CG-CG1 4.46Å; M459-I511 HydrophobicContact SD-CD1 4.01Å; M459-I511 HydrophobicContact SD-CG1 4.01Å; M459-P531 HydrophobicContact CB-CG 4.49Å; M459-P531 HydrophobicContact SD-CB 4.01Å; M459-P531 HydrophobicContact SD-CG 4.44Å; M459-A533 HydrophobicContact CE-CB 4.35Å; M459-A533 HydrophobicContact SD-CB 4.03Å; M459-A533 PolarHBondContact SD-N 3.09Å |
| 460 | A | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 162.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y286 F315 M455 I462 S475 M476 L478 | Y286-A460 HydrophobicContact CE1-CB 4.29Å; F315-A460 HydrophobicContact CE2-CB 4.38Å; F315-A460 HydrophobicContact CZ-CB 3.69Å; M455-A460 HydrophobicContact CE-CB 4.32Å; M455-A460 HydrophobicContact SD-CB 3.68Å; A460-I462 HydrophobicContact CB-CG2 4.05Å; A460-S475 CarbonylContact O-C 3.52Å; A460-S475 WeakPolarHBondContact O-CA 3.48Å; A460-M476 PolarHBondContact N-O 2.87Å; A460-M476 PolarHBondContact O-N 2.82Å; A460-L478 HydrophobicContact CB-CD1 4.01Å; A460-L478 HydrophobicContact CB-CD2 4.08Å; A460-L478 HydrophobicContact CB-CG 4.24Å |
| 461 | T | 93.2 | Very high | 87.7 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 92.9 | 179.7 | -61.7 | 0 | 0 | 0 | 0 | 107.4 | Y451 T452 M455 M459 T473 S474 S475 | Y451-T461 WeakPolarHBondContact CA-O 3.3Å; T452-T461 PolarHBondContact N-O 2.86Å; T452-T461 PolarHBondContact OG1-O 2.82Å; M455-T461 WeakPolarHBondContact CE-O 3.47Å; M459-T461 VanDerWaalsContact CE-OG1 3.24Å; M459-T461 WeakPolarHBondContact CE-OG1 3.18Å; T461-T473 HydrophobicContact CG2-CG2 3.49Å; T461-T473 VanDerWaalsContact CG2-CG2 3.49Å; T461-S474 CarbonylContact C-O 3.29Å; T461-S474 WeakPolarHBondContact CA-O 3.43Å; T461-S475 WeakPolarHBondContact CG2-OG 3.09Å; T461-S475 PolarHBondContact OG1-OG 2.7Å |
| 462 | I | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.7 | -165.7 | 60.7 | 167.5 | 0 | 0 | 0 | 112.5 | F315 Y437 Y448 A460 F464 T473 S474 M476 | F315-I462 HydrophobicContact CD1-CD1 4.02Å; F315-I462 HydrophobicContact CD2-CG2 4.36Å; F315-I462 HydrophobicContact CE1-CD1 4.16Å; F315-I462 HydrophobicContact CE1-CG2 4.26Å; F315-I462 HydrophobicContact CE2-CG2 4.06Å; F315-I462 HydrophobicContact CZ-CG2 4.02Å; Y437-I462 HydrophobicContact CD1-CD1 4.25Å; Y437-I462 HydrophobicContact CD2-CD1 4.15Å; Y437-I462 HydrophobicContact CE1-CD1 4.16Å; Y437-I462 HydrophobicContact CE2-CD1 4.03Å; Y437-I462 HydrophobicContact CG-CD1 4.27Å; Y448-I462 HydrophobicContact CD2-CB 4.25Å; Y448-I462 HydrophobicContact CD2-CG2 4.41Å; Y448-I462 HydrophobicContact CE2-CB 3.75Å; Y448-I462 HydrophobicContact CE2-CG2 3.6Å; A460-I462 HydrophobicContact CB-CG2 4.05Å; I462-F464 HydrophobicContact CD1-CD1 3.91Å; I462-F464 HydrophobicContact CD1-CE1 4.38Å; I462-F464 HydrophobicContact CG1-CD1 4.07Å; I462-F464 HydrophobicContact CG1-CE1 4.46Å; I462-T473 CarbonylContact O-C 3.39Å; I462-T473 WeakPolarHBondContact O-CA 3.46Å; I462-S474 PolarHBondContact N-O 2.92Å; I462-S474 PolarHBondContact O-N 3.18Å; I462-M476 HydrophobicContact CD1-CE 3.7Å; I462-M476 HydrophobicContact CD1-SD 4.11Å; I462-M476 HydrophobicContact CG1-CE 4.01Å |
| 463 | G | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143 | 162 | 0 | 0 | 0 | 0 | 0 | 110.7 | T449 G450 K471 S472 | T449-G463 WeakPolarHBondContact CA-O 3.43Å; T449-G463 PolarHBondContact N-O 2.82Å; T449-G463 PolarHBondContact OG1-O 3.32Å; G450-G463 PolarHBondContact O-N 3.12Å; G463-K471 WeakPolarHBondContact CA-O 3.17Å; G463-S472 WeakPolarHBondContact CA-O 3Å |
| 464 | F | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 170.3 | -177 | 57.8 | -100.4 | 0 | 0 | 0 | 111.8 | V428 L431 Y437 N447 T449 I462 W466 K471 | V428-F464 HydrophobicContact CG1-CE2 4.31Å; V428-F464 HydrophobicContact CG1-CZ 4.49Å; V428-F464 HydrophobicContact CG2-CE2 4.47Å; L431-F464 HydrophobicContact CB-CZ 4.16Å; L431-F464 HydrophobicContact CD2-CE2 3.96Å; L431-F464 HydrophobicContact CD2-CZ 3.71Å; L431-F464 HydrophobicContact CG-CZ 3.94Å; Y437-F464 AromaticContact CD2-CD1 3.82Å; Y437-F464 HydrophobicContact CD2-CD1 3.82Å; Y437-F464 HydrophobicContact CD2-CD2 4.42Å; Y437-F464 AromaticContact CD2-CE1 3.89Å; Y437-F464 HydrophobicContact CD2-CE1 3.89Å; Y437-F464 HydrophobicContact CD2-CE2 4.49Å; Y437-F464 HydrophobicContact CD2-CG 4.1Å; Y437-F464 HydrophobicContact CD2-CZ 4.24Å; Y437-F464 HydrophobicContact CE2-CB 3.7Å; Y437-F464 AromaticContact CE2-CD1 3.54Å; Y437-F464 HydrophobicContact CE2-CD1 3.54Å; Y437-F464 HydrophobicContact CE2-CD2 4.04Å; Y437-F464 HydrophobicContact CE2-CE1 4.1Å; Y437-F464 AromaticContact CE2-CG 3.51Å; Y437-F464 HydrophobicContact CE2-CG 3.51Å; N447-F464 WeakPolarHBondContact O-CA 3.11Å; N447-F464 WeakPolarHBondContact O-CB 3.09Å; T449-F464 PolarHBondContact OG1-N 2.87Å; I462-F464 HydrophobicContact CD1-CD1 3.91Å; I462-F464 HydrophobicContact CD1-CE1 4.38Å; I462-F464 HydrophobicContact CG1-CD1 4.07Å; I462-F464 HydrophobicContact CG1-CE1 4.46Å; F464-W466 HydrophobicContact CD2-CB 4.4Å; F464-W466 HydrophobicContact CE2-CB 4.29Å; F464-K471 HydrophobicContact CD1-CB 4.06Å; F464-K471 HydrophobicContact CD1-CG 4.34Å; F464-K471 HydrophobicContact CD2-CB 3.81Å; F464-K471 HydrophobicContact CE1-CB 3.83Å; F464-K471 HydrophobicContact CE1-CG 3.77Å; F464-K471 HydrophobicContact CE2-CB 3.55Å; F464-K471 HydrophobicContact CE2-CG 4.2Å; F464-K471 HydrophobicContact CG-CB 4.05Å; F464-K471 HydrophobicContact CZ-CB 3.56Å; F464-K471 HydrophobicContact CZ-CG 3.68Å; F464-K471 PolarHBondContact N-O 2.89Å; F464-K471 VanDerWaalsContact N-O 3.08Å; F464-K471 PolarHBondContact O-N 3.02Å |
| 465 | T | 93.3 | Very high | 90.3 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 19% | 0.19 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.8 | 163.1 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | A446 N447 T449 K469 V470 | A446-T465 CarbonylContact C-O 3.47Å; A446-T465 VanDerWaalsContact CA-O 3.27Å; A446-T465 WeakPolarHBondContact CA-O 3.31Å; N447-T465 PolarHBondContact N-O 2.84Å; N447-T465 PolarHBondContact O-N 3.48Å; N447-T465 PolarHBondContact O-OG1 2.66Å; T449-T465 HydrophobicContact CG2-CG2 4.39Å; T465-K469 CarbonylContact C-O 3.49Å; T465-K469 WeakPolarHBondContact CA-O 3.34Å; T465-V470 HydrophobicContact CG2-CG2 4.22Å |
| 466 | W | 93.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 3% | 0.03 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.4 | 170.4 | 174.3 | 22.4 | 0 | 0 | 0 | 108.6 | P341 G421 M423 V428 L431 L440 H445 F464 N468 K469 | P341-W466 HydrophobicContact CB-CH2 3.58Å; P341-W466 HydrophobicContact CB-CZ2 4.17Å; P341-W466 HydrophobicContact CB-CZ3 4.3Å; P341-W466 HydrophobicContact CG-CH2 4.2Å; P341-W466 HydrophobicContact CG-CZ2 4.29Å; G421-W466 WeakPolarHBondContact O-CH2 2.93Å; G421-W466 WeakPolarHBondContact O-CZ3 3.13Å; M423-W466 HydrophobicContact CE-CD2 3.44Å; M423-W466 VanDerWaalsContact CE-CD2 3.44Å; M423-W466 VanDerWaalsContact CE-CE2 3.47Å; M423-W466 HydrophobicContact CE-CE3 3.44Å; M423-W466 VanDerWaalsContact CE-CE3 3.44Å; M423-W466 HydrophobicContact CE-CG 4.19Å; M423-W466 HydrophobicContact CE-CH2 3.61Å; M423-W466 HydrophobicContact CE-CZ2 3.58Å; M423-W466 HydrophobicContact CE-CZ3 3.51Å; V428-W466 HydrophobicContact CG1-CE3 4.09Å; V428-W466 HydrophobicContact CG1-CZ3 4.49Å; V428-W466 HydrophobicContact CG2-CB 4.08Å; V428-W466 HydrophobicContact CG2-CE3 4.09Å; L431-W466 HydrophobicContact CD2-CE3 4.27Å; L440-W466 HydrophobicContact CD1-CD2 3.91Å; L440-W466 HydrophobicContact CD1-CE3 4.4Å; L440-W466 HydrophobicContact CD1-CG 4.3Å; L440-W466 HydrophobicContact CD1-CH2 4.4Å; L440-W466 HydrophobicContact CD1-CZ2 3.93Å; L440-W466 HydrophobicContact CD2-CZ2 4.24Å; H445-W466 CarbonylContact O-C 3.35Å; H445-W466 WeakPolarHBondContact O-CA 3.12Å; F464-W466 HydrophobicContact CD2-CB 4.4Å; F464-W466 HydrophobicContact CE2-CB 4.29Å; W466-N468 PolarHBondContact O-N 2.86Å; W466-K469 PolarHBondContact N-O 3.45Å; W466-K469 WeakPolarHBondContact O-CB 2.89Å; W466-K469 PolarHBondContact O-N 2.77Å |
| 467 | N | 91.6 | Very high | 91.9 | Very high | 63 Ų | 63 | 25.6 Ų | 25.6 | 34% | 0.337 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 45.7 | -173.2 | -64.3 | 1.8 | 0 | 0 | 0 | 111.9 | F308 H445 K469 | F308-N467 HydrophobicContact CE1-CB 4.3Å; F308-N467 HydrophobicContact CZ-CB 4.28Å; H445-N467 WeakPolarHBondContact CB-OD1 3.28Å; H445-N467 PolarHBondContact CD2-OD1 3.29Å; H445-N467 PolarHBondContact O-N 3.41Å; N467-K469 PolarHBondContact O-N 3.08Å |
| 468 | N | 88 | Confident | 92.5 | Very high | 118 Ų | 118 | 23 Ų | 23 | 63% | 0.631 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -8.7 | -172 | -54 | -43.8 | 0 | 0 | 0 | 117 | W466 | W466-N468 PolarHBondContact O-N 2.86Š|
| 469 | K | 92.5 | Very high | 92.8 | Very high | 38 Ų | 38 | 23 Ų | 23 | 17% | 0.165 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 146.2 | 173.3 | -59.3 | -174.3 | -173.2 | 171.4 | 0 | 111.1 | Q342 M423 G426 V428 T465 W466 N467 | Q342-K469 VanDerWaalsContact CD-NZ 3.3Å; M423-K469 HydrophobicContact CB-CD 3.79Å; M423-K469 HydrophobicContact CG-CD 4.15Å; M423-K469 HydrophobicContact SD-CD 3.66Å; M423-K469 PolarHBondContact SD-NZ 3.28Å; G426-K469 CarbonylContact O-C 3.59Å; G426-K469 VanDerWaalsContact O-CA 3.23Å; G426-K469 WeakPolarHBondContact O-CA 3.5Å; G426-K469 VanDerWaalsContact O-CB 3.31Å; G426-K469 WeakPolarHBondContact O-CB 3.4Å; V428-K469 HydrophobicContact CG2-CB 4.17Å; T465-K469 CarbonylContact C-O 3.49Å; T465-K469 WeakPolarHBondContact CA-O 3.34Å; W466-K469 PolarHBondContact N-O 3.45Å; W466-K469 WeakPolarHBondContact O-CB 2.89Å; W466-K469 PolarHBondContact O-N 2.77Å; N467-K469 PolarHBondContact O-N 3.08Å |
| 470 | V | 92.5 | Very high | 93 | Very high | 50 Ų | 50 | 23 Ų | 23 | 30% | 0.303 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.7 | -169.1 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | G426 L427 V428 T465 | G426-V470 PolarHBondContact O-N 3.25Å; L427-V470 WeakPolarHBondContact CA-O 3.03Å; L427-V470 HydrophobicContact CD2-CB 4.25Å; V428-V470 PolarHBondContact N-O 2.65Å; T465-V470 HydrophobicContact CG2-CG2 4.22Å |
| 471 | K | 94.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 23 Ų | 23 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 114.4 | 155.3 | -167.9 | 58 | 143.2 | 116.1 | 0 | 108.4 | V428 S429 G430 H432 G463 F464 T473 | V428-K471 HydrophobicContact CB-CB 4.01Å; V428-K471 HydrophobicContact CB-CD 4.14Å; V428-K471 HydrophobicContact CG1-CB 4.45Å; V428-K471 HydrophobicContact CG1-CD 4.22Å; V428-K471 VanDerWaalsContact O-CD 3.26Å; V428-K471 WeakPolarHBondContact O-CD 3.34Å; S429-K471 WeakPolarHBondContact O-CE 3.49Å; S429-K471 PolarHBondContact O-NZ 2.78Å; G430-K471 WeakPolarHBondContact O-CE 3.27Å; H432-K471 PolarHBondContact NE2-NZ 2.81Å; G463-K471 WeakPolarHBondContact CA-O 3.17Å; F464-K471 HydrophobicContact CD1-CB 4.06Å; F464-K471 HydrophobicContact CD1-CG 4.34Å; F464-K471 HydrophobicContact CD2-CB 3.81Å; F464-K471 HydrophobicContact CE1-CB 3.83Å; F464-K471 HydrophobicContact CE1-CG 3.77Å; F464-K471 HydrophobicContact CE2-CB 3.55Å; F464-K471 HydrophobicContact CE2-CG 4.2Å; F464-K471 HydrophobicContact CG-CB 4.05Å; F464-K471 HydrophobicContact CZ-CB 3.56Å; F464-K471 HydrophobicContact CZ-CG 3.68Å; F464-K471 PolarHBondContact N-O 2.89Å; F464-K471 VanDerWaalsContact N-O 3.08Å; F464-K471 PolarHBondContact O-N 3.02Å; K471-T473 WeakPolarHBondContact CD-O 3.33Å; K471-T473 WeakPolarHBondContact CE-O 3.11Å; K471-T473 PolarHBondContact NZ-O 3.38Å |
| 472 | S | 90.7 | Very high | 93.5 | Very high | 70 Ų | 70 | 22.3 Ų | 22.3 | 49% | 0.49 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -46.6 | 178.8 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | R290 G463 | R290-S472 PolarHBondContact NH1-O 3.01Å; G463-S472 WeakPolarHBondContact CA-O 3Å |
| 473 | T | 91.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 22.4 Ų | 22.4 | 35% | 0.35 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 135.4 | 176.4 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | T452 T461 I462 K471 | T452-T473 WeakPolarHBondContact OG1-CG2 3.12Å; T452-T473 PolarHBondContact OG1-OG1 3.29Å; T461-T473 HydrophobicContact CG2-CG2 3.49Å; T461-T473 VanDerWaalsContact CG2-CG2 3.49Å; I462-T473 CarbonylContact O-C 3.39Å; I462-T473 WeakPolarHBondContact O-CA 3.46Å; K471-T473 WeakPolarHBondContact CD-O 3.33Å; K471-T473 WeakPolarHBondContact CE-O 3.11Å; K471-T473 PolarHBondContact NZ-O 3.38Å |
| 474 | S | 94.2 | Very high | 94 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.5 | 163.2 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | L431 H432 T461 I462 | L431-S474 WeakPolarHBondContact O-CB 3.33Å; L431-S474 PolarHBondContact O-OG 3.37Å; H432-S474 PolarHBondContact CE1-OG 3.4Å; H432-S474 PolarHBondContact ND1-OG 2.92Å; H432-S474 VanDerWaalsContact ND1-OG 3.13Å; T461-S474 CarbonylContact C-O 3.29Å; T461-S474 WeakPolarHBondContact CA-O 3.43Å; I462-S474 PolarHBondContact N-O 2.92Å; I462-S474 PolarHBondContact O-N 3.18Å |
| 475 | S | 94.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143.9 | 169.6 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | H432 A460 T461 P531 | H432-S475 PolarHBondContact ND1-N 3.41Å; H432-S475 PolarHBondContact ND1-O 3.14Å; A460-S475 CarbonylContact O-C 3.52Å; A460-S475 WeakPolarHBondContact O-CA 3.48Å; T461-S475 WeakPolarHBondContact CG2-OG 3.09Å; T461-S475 PolarHBondContact OG1-OG 2.7Å; S475-P531 WeakPolarHBondContact CB-O 3.25Å; S475-P531 PolarHBondContact OG-O 3.33Å |
| 476 | M | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 146.5 | -177.5 | 58 | -170.9 | 60.6 | 0 | 0 | 111.3 | F315 H432 W434 Y437 M459 A460 I462 L478 | F315-M476 HydrophobicContact CE1-SD 4.43Å; H432-M476 WeakPolarHBondContact O-CA 3.33Å; H432-M476 WeakPolarHBondContact O-CB 3.35Å; W434-M476 HydrophobicContact CB-CG 4.34Å; W434-M476 HydrophobicContact CB-SD 3.8Å; Y437-M476 HydrophobicContact CG-CE 4.34Å; M459-M476 VanDerWaalsContact CA-O 3.26Å; M459-M476 WeakPolarHBondContact CA-O 3.32Å; M459-M476 VanDerWaalsContact CB-O 3.29Å; M459-M476 WeakPolarHBondContact CB-O 3.15Å; A460-M476 PolarHBondContact N-O 2.87Å; A460-M476 PolarHBondContact O-N 2.82Å; I462-M476 HydrophobicContact CD1-CE 3.7Å; I462-M476 HydrophobicContact CD1-SD 4.11Å; I462-M476 HydrophobicContact CG1-CE 4.01Å; M476-L478 HydrophobicContact CG-CD2 4.15Å |
| 477 | F | 95.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 147.9 | 163.8 | -70.9 | -61.2 | 0 | 0 | 0 | 109.6 | W434 S480 F484 D485 V488 L504 Y506 I511 F513 P531 | W434-F477 WeakPolarHBondContact CB-O 3.22Å; F477-S480 WeakPolarHBondContact CB-OG 3.35Å; F477-F484 HydrophobicContact CD2-CD1 4.5Å; F477-F484 HydrophobicContact CD2-CE1 4.24Å; F477-F484 HydrophobicContact CE1-CE1 4.44Å; F477-F484 HydrophobicContact CE2-CE1 4.11Å; F477-F484 HydrophobicContact CG-CE1 4.46Å; F477-F484 HydrophobicContact CZ-CE1 4.23Å; F477-D485 WeakPolarHBondContact CD2-OD1 3.45Å; F477-V488 HydrophobicContact CE2-CB 4.27Å; F477-V488 HydrophobicContact CE2-CG1 4.02Å; F477-V488 HydrophobicContact CZ-CG1 3.98Å; F477-L504 HydrophobicContact CZ-CD1 4.46Å; F477-Y506 HydrophobicContact CB-CE1 4.33Å; F477-Y506 AromaticContact CD1-CD1 3.52Å; F477-Y506 HydrophobicContact CD1-CD1 3.52Å; F477-Y506 AromaticContact CD1-CE1 3.85Å; F477-Y506 HydrophobicContact CD1-CE1 3.85Å; F477-Y506 HydrophobicContact CD1-CG 4.19Å; F477-Y506 AromaticContact CE1-CD1 3.87Å; F477-Y506 HydrophobicContact CE1-CD1 3.87Å; F477-Y506 HydrophobicContact CE1-CG 4.1Å; F477-Y506 HydrophobicContact CG-CD1 4.46Å; F477-Y506 HydrophobicContact CG-CE1 4.39Å; F477-I511 HydrophobicContact CD1-CD1 4.25Å; F477-I511 HydrophobicContact CE1-CD1 3.66Å; F477-F513 AromaticContact CE2-CD2 3.99Å; F477-F513 HydrophobicContact CE2-CD2 3.99Å; F477-F513 AromaticContact CE2-CE2 3.62Å; F477-F513 HydrophobicContact CE2-CE2 3.62Å; F477-F513 AromaticContact CZ-CD2 3.89Å; F477-F513 HydrophobicContact CZ-CD2 3.89Å; F477-F513 HydrophobicContact CZ-CE2 4.01Å; F477-P531 HydrophobicContact CD1-CB 4.35Å; F477-P531 HydrophobicContact CD1-CG 4.25Å; F477-P531 HydrophobicContact CD2-CG 4.43Å; F477-P531 HydrophobicContact CE1-CB 4.01Å; F477-P531 HydrophobicContact CE1-CG 4.37Å; F477-P531 HydrophobicContact CG-CG 4.28Å; F477-P531 HydrophobicContact CZ-CB 4.13Å |
| 478 | L | 93.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -109.4 | 124.5 | 179.1 | -65 | -173.6 | 0 | 0 | 0 | 111.3 | F284 Y286 F315 W434 A458 A460 M476 S480 K507 | F284-L478 HydrophobicContact CB-CD1 4.31Å; F284-L478 HydrophobicContact CD1-CD1 4.4Å; F284-L478 HydrophobicContact CD1-CD2 3.89Å; F284-L478 HydrophobicContact CD2-CB 4.16Å; F284-L478 HydrophobicContact CD2-CD1 3.98Å; F284-L478 HydrophobicContact CD2-CG 4.45Å; F284-L478 HydrophobicContact CE1-CD2 3.76Å; F284-L478 HydrophobicContact CE2-CB 3.79Å; F284-L478 HydrophobicContact CE2-CD1 4.42Å; F284-L478 HydrophobicContact CE2-CD2 4.39Å; F284-L478 HydrophobicContact CE2-CG 4.42Å; F284-L478 HydrophobicContact CG-CD1 3.97Å; F284-L478 HydrophobicContact CG-CD2 4.27Å; F284-L478 HydrophobicContact CZ-CB 4.05Å; F284-L478 HydrophobicContact CZ-CD2 4.02Å; F284-L478 HydrophobicContact CZ-CG 4.5Å; Y286-L478 HydrophobicContact CE1-CD1 4.05Å; Y286-L478 VanDerWaalsContact OH-CD1 3.26Å; Y286-L478 WeakPolarHBondContact OH-CD1 3.45Å; F315-L478 HydrophobicContact CE1-CD2 4.23Å; F315-L478 HydrophobicContact CZ-CD2 4.11Å; W434-L478 HydrophobicContact CB-CD2 4.3Å; A458-L478 PolarHBondContact O-N 2.92Å; A460-L478 HydrophobicContact CB-CD1 4.01Å; A460-L478 HydrophobicContact CB-CD2 4.08Å; A460-L478 HydrophobicContact CB-CG 4.24Å; M476-L478 HydrophobicContact CG-CD2 4.15Å; L478-S480 VanDerWaalsContact C-N 3.26Å; L478-S480 PolarHBondContact O-N 2.82Å; L478-K507 PolarHBondContact O-NZ 2.85Å |
| 479 | G | 93.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 68.2 | 20.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A276 A277 | A276-G479 WeakPolarHBondContact CA-O 3.2Å; A276-G479 WeakPolarHBondContact CB-O 3.31Å; A277-G479 PolarHBondContact N-O 2.63Å |
| 480 | S | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -78 | 158.7 | 166.2 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | Y323 W434 F477 L478 D485 | Y323-S480 PolarHBondContact OH-O 2.99Å; W434-S480 PolarHBondContact NE1-O 3.49Å; F477-S480 WeakPolarHBondContact CB-OG 3.35Å; L478-S480 VanDerWaalsContact C-N 3.26Å; L478-S480 PolarHBondContact O-N 2.82Å; S480-D485 WeakPolarHBondContact CB-OD1 3.23Å; S480-D485 PolarHBondContact OG-OD1 2.9Å | ||
| 481 | S | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | trans | -81.8 | 163.3 | 165 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | D273 E483 F484 D485 | D273-S481 WeakPolarHBondContact OD1-CB 2.98Å; D273-S481 PolarHBondContact OD1-OG 2.66Å; D273-S481 PolarHBondContact OD2-N 3.42Å; D273-S481 VanDerWaalsContact OD2-N 3.12Å; D273-S481 PolarHBondContact OD2-OG 2.68Å; S481-E483 VanDerWaalsContact C-N 3.29Å; S481-E483 VanDerWaalsContact CB-CD 3.49Å; S481-E483 WeakPolarHBondContact CB-OE2 3.44Å; S481-E483 PolarHBondContact O-N 3.17Å; S481-E483 VanDerWaalsContact OG-CD 3.26Å; S481-E483 VanDerWaalsContact OG-CG 3.3Å; S481-E483 WeakPolarHBondContact OG-CG 3.37Å; S481-F484 PolarHBondContact O-N 2.92Å; S481-F484 PolarHBondContact OG-N 3.12Å; S481-D485 PolarHBondContact O-N 2.96Å | ||
| 482 | P | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -55.4 | -41.4 | 172.6 | -24.8 | 34 | 0 | 0 | 0 | 113.5 | F332 F360 I435 D485 M486 | F332-P482 HydrophobicContact CB-CB 4.27Å; F332-P482 HydrophobicContact CB-CG 3.72Å; F332-P482 HydrophobicContact CD1-CG 4.11Å; F332-P482 HydrophobicContact CD2-CB 3.94Å; F332-P482 HydrophobicContact CD2-CG 4.05Å; F332-P482 HydrophobicContact CG-CB 4.11Å; F332-P482 HydrophobicContact CG-CG 3.69Å; F360-P482 HydrophobicContact CE2-CB 4.02Å; F360-P482 HydrophobicContact CZ-CB 4.03Å; I435-P482 HydrophobicContact CD1-CG 3.94Å; P482-D485 PolarHBondContact O-N 2.62Å; P482-M486 VanDerWaalsContact O-CB 3.23Å; P482-M486 WeakPolarHBondContact O-CB 3.46Å; P482-M486 PolarHBondContact O-N 2.92Å |
| 483 | E | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67.7 | -32.8 | 179.4 | 57.1 | -89.3 | -142.5 | 0 | 0 | 113 | N275 T328 V364 T367 V369 M370 S481 A487 | N275-E483 VanDerWaalsContact CB-OE1 3.25Å; N275-E483 WeakPolarHBondContact CB-OE1 3.25Å; N275-E483 PolarHBondContact ND2-OE1 3.37Å; T328-E483 WeakPolarHBondContact CB-OE1 3.41Å; T328-E483 WeakPolarHBondContact CB-OE2 3.44Å; T328-E483 WeakPolarHBondContact CG2-OE1 3.25Å; T328-E483 VanDerWaalsContact OG1-CD 3.28Å; T328-E483 PolarHBondContact OG1-OE1 3.05Å; T328-E483 PolarHBondContact OG1-OE2 2.85Å; V364-E483 HydrophobicContact CB-CB 3.99Å; V364-E483 HydrophobicContact CG1-CB 3.94Å; T367-E483 HydrophobicContact CG2-CG 3.94Å; T367-E483 WeakPolarHBondContact CG2-OE1 3.46Å; V369-E483 HydrophobicContact CB-CG 4.29Å; M370-E483 HydrophobicContact CG-CB 4.14Å; M370-E483 HydrophobicContact SD-CB 4.44Å; S481-E483 VanDerWaalsContact C-N 3.29Å; S481-E483 VanDerWaalsContact CB-CD 3.49Å; S481-E483 WeakPolarHBondContact CB-OE2 3.44Å; S481-E483 PolarHBondContact O-N 3.17Å; S481-E483 VanDerWaalsContact OG-CD 3.26Å; S481-E483 VanDerWaalsContact OG-CG 3.3Å; S481-E483 WeakPolarHBondContact OG-CG 3.37Å; E483-A487 VanDerWaalsContact O-CB 3.24Å; E483-A487 WeakPolarHBondContact O-CB 3.34Å; E483-A487 PolarHBondContact O-N 3.39Å |
| 484 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -67.8 | -49.4 | 172.8 | -179.4 | -88.4 | 0 | 0 | 0 | 111.7 | V266 M269 Q270 D273 F477 S481 M486 A487 V488 Y506 | V266-F484 HydrophobicContact CG1-CE2 4.27Å; V266-F484 HydrophobicContact CG1-CZ 3.93Å; M269-F484 HydrophobicContact CB-CD2 4.09Å; M269-F484 HydrophobicContact CB-CE2 3.99Å; Q270-F484 HydrophobicContact CB-CE2 4.14Å; D273-F484 HydrophobicContact CB-CD2 4.44Å; D273-F484 WeakPolarHBondContact OD2-CB 3.43Å; F477-F484 HydrophobicContact CD2-CD1 4.5Å; F477-F484 HydrophobicContact CD2-CE1 4.24Å; F477-F484 HydrophobicContact CE1-CE1 4.44Å; F477-F484 HydrophobicContact CE2-CE1 4.11Å; F477-F484 HydrophobicContact CG-CE1 4.46Å; F477-F484 HydrophobicContact CZ-CE1 4.23Å; S481-F484 PolarHBondContact O-N 2.92Å; S481-F484 PolarHBondContact OG-N 3.12Å; F484-M486 VanDerWaalsContact C-N 3.26Å; F484-M486 PolarHBondContact O-N 2.72Å; F484-A487 PolarHBondContact O-N 2.97Å; F484-V488 HydrophobicContact CD1-CG2 4.22Å; F484-V488 HydrophobicContact CD2-CG2 4.49Å; F484-V488 HydrophobicContact CE1-CG2 3.73Å; F484-V488 HydrophobicContact CE2-CG2 4.02Å; F484-V488 HydrophobicContact CZ-CG2 3.6Å; F484-V488 WeakPolarHBondContact O-CG2 3.41Å; F484-V488 PolarHBondContact O-N 3Å; F484-Y506 HydrophobicContact CD1-CE2 4.09Å; F484-Y506 AromaticContact CE1-CD2 3.63Å; F484-Y506 HydrophobicContact CE1-CD2 3.63Å; F484-Y506 HydrophobicContact CE1-CE1 4.47Å; F484-Y506 AromaticContact CE1-CE2 3.38Å; F484-Y506 HydrophobicContact CE1-CE2 3.38Å; F484-Y506 HydrophobicContact CE1-CG 4.25Å; F484-Y506 AromaticContact CE1-CZ 3.85Å; F484-Y506 HydrophobicContact CE2-CD2 4.07Å; F484-Y506 AromaticContact CE2-CE2 3.88Å; F484-Y506 HydrophobicContact CE2-CE2 3.88Å; F484-Y506 AromaticContact CZ-CD2 3.24Å; F484-Y506 HydrophobicContact CZ-CD2 3.24Å; F484-Y506 AromaticContact CZ-CE2 3.27Å; F484-Y506 HydrophobicContact CZ-CE2 3.27Å; F484-Y506 HydrophobicContact CZ-CG 4.13Å |
| 485 | D | 97 | Very high | 95 | Very high | 8 Ų | 8 | 6.1 Ų | 6.1 | 4% | 0.043 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -55.6 | -44.2 | 175.5 | -76.9 | 8.4 | 0 | 0 | 0 | 110.8 | F419 N433 F477 S480 S481 P482 A489 | F419-D485 HydrophobicContact CE1-CB 3.59Å; F419-D485 HydrophobicContact CZ-CB 3.65Å; N433-D485 PolarHBondContact ND2-OD2 3.32Å; F477-D485 WeakPolarHBondContact CD2-OD1 3.45Å; S480-D485 WeakPolarHBondContact CB-OD1 3.23Å; S480-D485 PolarHBondContact OG-OD1 2.9Å; S481-D485 PolarHBondContact O-N 2.96Å; P482-D485 PolarHBondContact O-N 2.62Å; D485-A489 WeakPolarHBondContact O-CB 3.14Å; D485-A489 PolarHBondContact O-N 3.49Å |
| 486 | M | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | -179.1 | -170 | -178.2 | -171.6 | 0 | 0 | 112.4 | F360 I361 V364 M370 L395 W399 F419 P482 F484 T490 | F360-M486 HydrophobicContact CE1-SD 4.26Å; I361-M486 HydrophobicContact CD1-CE 4Å; V364-M486 HydrophobicContact CG2-SD 4.21Å; M370-M486 HydrophobicContact CE-SD 4.23Å; L395-M486 HydrophobicContact CD2-CE 4.28Å; W399-M486 HydrophobicContact CB-CE 4.06Å; W399-M486 HydrophobicContact CD2-CE 4.14Å; W399-M486 HydrophobicContact CD2-CG 4.19Å; W399-M486 HydrophobicContact CG-CE 3.56Å; W399-M486 HydrophobicContact CZ2-CB 4.47Å; W399-M486 HydrophobicContact CZ2-CG 3.89Å; W399-M486 WeakPolarHBondContact CZ2-O 3.47Å; F419-M486 HydrophobicContact CE2-CB 4.45Å; F419-M486 HydrophobicContact CZ-CB 4.06Å; P482-M486 VanDerWaalsContact O-CB 3.23Å; P482-M486 WeakPolarHBondContact O-CB 3.46Å; P482-M486 PolarHBondContact O-N 2.92Å; F484-M486 VanDerWaalsContact C-N 3.26Å; F484-M486 PolarHBondContact O-N 2.72Å; M486-T490 WeakPolarHBondContact O-CB 3.35Å; M486-T490 PolarHBondContact O-N 2.77Å; M486-T490 PolarHBondContact O-OG1 2.89Å |
| 487 | A | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67.7 | -45.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M269 V369 M370 L373 E483 F484 T490 I491 | M269-A487 HydrophobicContact CE-CB 3.88Å; M269-A487 HydrophobicContact SD-CB 3.9Å; V369-A487 HydrophobicContact CG1-CB 3.82Å; M370-A487 HydrophobicContact SD-CB 4.04Å; L373-A487 HydrophobicContact CB-CB 4.3Å; L373-A487 HydrophobicContact CD1-CB 4.4Å; L373-A487 HydrophobicContact CD2-CB 4.2Å; E483-A487 VanDerWaalsContact O-CB 3.24Å; E483-A487 WeakPolarHBondContact O-CB 3.34Å; E483-A487 PolarHBondContact O-N 3.39Å; F484-A487 PolarHBondContact O-N 2.97Å; A487-T490 PolarHBondContact O-N 2.8Å; A487-I491 WeakPolarHBondContact O-CG1 3.35Å; A487-I491 PolarHBondContact O-N 2.93Å |
| 488 | V | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | V266 F477 F484 T490 I491 C492 L504 F513 | V266-V488 HydrophobicContact CG1-CG2 4.09Å; V266-V488 HydrophobicContact CG2-CG2 4.15Å; F477-V488 HydrophobicContact CE2-CB 4.27Å; F477-V488 HydrophobicContact CE2-CG1 4.02Å; F477-V488 HydrophobicContact CZ-CG1 3.98Å; F484-V488 HydrophobicContact CD1-CG2 4.22Å; F484-V488 HydrophobicContact CD2-CG2 4.49Å; F484-V488 HydrophobicContact CE1-CG2 3.73Å; F484-V488 HydrophobicContact CE2-CG2 4.02Å; F484-V488 HydrophobicContact CZ-CG2 3.6Å; F484-V488 WeakPolarHBondContact O-CG2 3.41Å; F484-V488 PolarHBondContact O-N 3Å; V488-T490 VanDerWaalsContact C-N 3.29Å; V488-T490 PolarHBondContact O-N 3.12Å; V488-I491 PolarHBondContact O-N 3.19Å; V488-C492 WeakPolarHBondContact O-CB 3.33Å; V488-C492 PolarHBondContact O-N 3.21Å; V488-C492 PolarHBondContact O-SG 2.89Å; V488-L504 HydrophobicContact CG1-CD2 3.44Å; V488-L504 VanDerWaalsContact CG1-CD2 3.44Å; V488-F513 HydrophobicContact CG1-CD2 3.92Å; V488-F513 HydrophobicContact CG1-CE2 4.03Å; V488-F513 HydrophobicContact CG1-CG 4.35Å |
| 489 | A | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -35.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W399 D485 S493 F513 | W399-A489 HydrophobicContact CH2-CB 3.54Å; W399-A489 HydrophobicContact CZ2-CB 3.72Å; D485-A489 WeakPolarHBondContact O-CB 3.14Å; D485-A489 PolarHBondContact O-N 3.49Å; A489-S493 VanDerWaalsContact O-CB 3.27Å; A489-S493 WeakPolarHBondContact O-CB 3.28Å; A489-S493 PolarHBondContact O-N 2.71Å; A489-S493 PolarHBondContact O-OG 2.88Å; A489-S493 VanDerWaalsContact O-OG 3.12Å; A489-F513 HydrophobicContact CB-CE1 4.13Å; A489-F513 HydrophobicContact CB-CZ 3.86Å |
| 490 | T | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.6 | -46.6 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 112 | L373 L377 W394 L398 W399 M486 A487 V488 C492 S493 L494 | L373-T490 HydrophobicContact CD1-CG2 4.1Å; L373-T490 HydrophobicContact CD2-CG2 4.14Å; L377-T490 HydrophobicContact CD1-CG2 4.26Å; W394-T490 HydrophobicContact CH2-CG2 3.64Å; W394-T490 HydrophobicContact CZ3-CG2 4.04Å; L398-T490 HydrophobicContact CD2-CG2 3.67Å; W399-T490 PolarHBondContact NE1-OG1 3.3Å; M486-T490 WeakPolarHBondContact O-CB 3.35Å; M486-T490 PolarHBondContact O-N 2.77Å; M486-T490 PolarHBondContact O-OG1 2.89Å; A487-T490 PolarHBondContact O-N 2.8Å; V488-T490 VanDerWaalsContact C-N 3.29Å; V488-T490 PolarHBondContact O-N 3.12Å; T490-C492 VanDerWaalsContact C-N 3.34Å; T490-C492 PolarHBondContact O-N 3.35Å; T490-S493 PolarHBondContact O-N 2.89Å; T490-S493 PolarHBondContact O-OG 2.74Å; T490-L494 HydrophobicContact CG2-CD1 4.11Å; T490-L494 WeakPolarHBondContact O-CG 3.43Å; T490-L494 PolarHBondContact O-N 3.37Å |
| 491 | I | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -48.5 | 175.8 | -72.6 | 171.4 | 0 | 0 | 0 | 110.5 | I262 V265 M269 L373 F376 A487 V488 L495 | I262-I491 HydrophobicContact CG1-CG2 4.24Å; I262-I491 HydrophobicContact CG2-CG2 4.32Å; V265-I491 HydrophobicContact CG1-CD1 3.73Å; V265-I491 HydrophobicContact CG2-CD1 4.5Å; M269-I491 HydrophobicContact CE-CD1 3.67Å; M269-I491 HydrophobicContact SD-CD1 3.96Å; L373-I491 HydrophobicContact CD1-CD1 3.94Å; L373-I491 HydrophobicContact CD1-CG1 3.53Å; F376-I491 HydrophobicContact CD1-CD1 4.06Å; F376-I491 HydrophobicContact CD1-CG1 4.01Å; F376-I491 HydrophobicContact CE1-CD1 4.25Å; F376-I491 HydrophobicContact CE1-CG1 4.08Å; F376-I491 HydrophobicContact CE1-CG2 3.92Å; F376-I491 HydrophobicContact CZ-CG2 4.39Å; A487-I491 WeakPolarHBondContact O-CG1 3.35Å; A487-I491 PolarHBondContact O-N 2.93Å; V488-I491 PolarHBondContact O-N 3.19Å; I491-L495 HydrophobicContact CG2-CD1 4.1Å; I491-L495 WeakPolarHBondContact O-CB 3.35Å; I491-L495 PolarHBondContact O-N 3.47Å; I491-L495 VanDerWaalsContact O-N 3.1Å |
| 492 | C | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.7 | -22 | -175.3 | -68.9 | 0 | 0 | 0 | 0 | 114.1 | V488 T490 R496 C502 F513 S515 | V488-C492 WeakPolarHBondContact O-CB 3.33Å; V488-C492 PolarHBondContact O-N 3.21Å; V488-C492 PolarHBondContact O-SG 2.89Å; T490-C492 VanDerWaalsContact C-N 3.34Å; T490-C492 PolarHBondContact O-N 3.35Å; C492-R496 CarbonylContact O-C 3.44Å; C492-R496 VanDerWaalsContact O-C 3.23Å; C492-R496 PolarHBondContact O-N 2.86Å; C492-C502 WeakPolarHBondContact CA-SG 3.42Å; C492-C502 HydrophobicContact CB-CB 3.4Å; C492-C502 WeakPolarHBondContact CB-SG 3.47Å; C492-C502 WeakPolarHBondContact SG-CB 3.47Å; C492-C502 CovalentContact SG-SG 2.04Å; C492-C502 PolarHBondContact SG-SG 2.76Å; C492-F513 HydrophobicContact CB-CD1 3.63Å; C492-F513 HydrophobicContact CB-CE1 4.21Å; C492-F513 HydrophobicContact CB-CG 4.34Å; C492-S515 PolarHBondContact O-OG 2.98Å |
| 493 | S | 91.1 | Very high | 89.8 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76.6 | -36.8 | 173.9 | 63.6 | 0 | 0 | 0 | 0 | 112.8 | A489 T490 P497 | A489-S493 VanDerWaalsContact O-CB 3.27Å; A489-S493 WeakPolarHBondContact O-CB 3.28Å; A489-S493 PolarHBondContact O-N 2.71Å; A489-S493 PolarHBondContact O-OG 2.88Å; A489-S493 VanDerWaalsContact O-OG 3.12Å; T490-S493 PolarHBondContact O-N 2.89Å; T490-S493 PolarHBondContact O-OG 2.74Å; S493-P497 WeakPolarHBondContact O-CB 3.13Å |
| 494 | L | 89.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 31% | 0.314 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -77.2 | -53.1 | 179.9 | -63.5 | 170.4 | 0 | 0 | 0 | 111.8 | L377 L382 W394 T490 | L377-L494 HydrophobicContact CD1-CD1 4.48Å; L377-L494 HydrophobicContact CD2-CD1 3.65Å; L382-L494 HydrophobicContact CD1-CB 4.27Å; W394-L494 HydrophobicContact CH2-CD1 3.87Å; W394-L494 HydrophobicContact CZ2-CD1 3.89Å; T490-L494 HydrophobicContact CG2-CD1 4.11Å; T490-L494 WeakPolarHBondContact O-CG 3.43Å; T490-L494 PolarHBondContact O-N 3.37Å |
| 495 | L | 88.5 | Confident | 89.3 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -82.2 | -24.7 | -172.4 | -73.9 | 172.1 | 0 | 0 | 0 | 115 | A257 I262 F376 L382 I491 | A257-L495 HydrophobicContact CB-CD1 3.55Å; A257-L495 HydrophobicContact CB-CD2 3.73Å; A257-L495 HydrophobicContact CB-CG 4.3Å; I262-L495 HydrophobicContact CD1-CB 4.39Å; I262-L495 HydrophobicContact CD1-CD1 4.03Å; I262-L495 HydrophobicContact CG1-CD1 3.95Å; F376-L495 HydrophobicContact CE1-CD1 3.65Å; F376-L495 HydrophobicContact CZ-CD1 3.91Å; L382-L495 HydrophobicContact CD1-CD2 3.85Å; L382-L495 HydrophobicContact CD1-CG 3.92Å; I491-L495 HydrophobicContact CG2-CD1 4.1Å; I491-L495 WeakPolarHBondContact O-CB 3.35Å; I491-L495 PolarHBondContact O-N 3.47Å; I491-L495 VanDerWaalsContact O-N 3.1Å |
| 496 | R | 85.8 | Confident | 89.1 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -143.4 | 45.2 | -165.2 | -67 | -62.2 | -176.8 | -80.7 | -7.5 | 113.9 | A257 D259 I262 C492 K500 C502 S515 | A257-R496 PolarHBondContact O-NH1 3.46Å; A257-R496 PolarHBondContact O-NH2 2.77Å; D259-R496 IonicContact OD1-CZ 2.69Å; D259-R496 IonicContact OD1-NE 3.98Å; D259-R496 PolarHBondContact OD1-NE 3.06Å; D259-R496 IonicContact OD1-NH2 2.66Å; D259-R496 PolarHBondContact OD1-NH2 3.34Å; I262-R496 HydrophobicContact CD1-CG 3.93Å; C492-R496 CarbonylContact O-C 3.44Å; C492-R496 VanDerWaalsContact O-C 3.23Å; C492-R496 PolarHBondContact O-N 2.86Å; R496-K500 WeakPolarHBondContact CB-O 3.37Å; R496-K500 VanDerWaalsContact O-O 3.12Å; R496-C502 HydrophobicContact CB-CB 3.66Å; R496-C502 HydrophobicContact CG-CB 4.09Å; R496-S515 PolarHBondContact O-OG 3.09Å |
| 497 | P | 77.7 | Confident | 88.6 | Confident | 33 Ų | 33 | 41.3 Ų | 41.3 | 21% | 0.214 | 19% | 0.193 | C | C | . | . | trans | -68.2 | 147.1 | -178.2 | 27.4 | -34.4 | 0 | 0 | 0 | 114.1 | S493 | S493-P497 WeakPolarHBondContact O-CB 3.13Š| ||
| 498 | G | 72.3 | Confident | 88 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -124 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K500 S515 | G498-K500 VanDerWaalsContact C-N 3.32Å; G498-K500 PolarHBondContact O-N 3.04Å; G498-S515 WeakPolarHBondContact CA-O 3.44Å; G498-S515 PolarHBondContact N-O 3.02Å |
| 499 | R | 73.1 | Confident | 87.6 | Confident | 252 Ų | 252 | 43.3 Ų | 43.3 | 95% | 0.951 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27.7 | -174.7 | -66.6 | -174.8 | -179.1 | -179.4 | 1.5 | 113.2 | K501 | R499-K501 VanDerWaalsContact C-N 3.29Å; R499-K501 PolarHBondContact O-N 3.17Å |
| 500 | K | 74.1 | Confident | 87.4 | Confident | 163 Ų | 163 | 43.6 Ų | 43.6 | 71% | 0.709 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -81.3 | 66 | -178.6 | -69.6 | -174.6 | 176.6 | -179.1 | 0 | 111.3 | R496 G498 C502 | R496-K500 WeakPolarHBondContact CB-O 3.37Å; R496-K500 VanDerWaalsContact O-O 3.12Å; G498-K500 VanDerWaalsContact C-N 3.32Å; G498-K500 PolarHBondContact O-N 3.04Å; K500-C502 PolarHBondContact O-N 2.71Å |
| 501 | K | 87.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 43.7 Ų | 43.7 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -51 | 133.6 | -175 | -57.9 | -169.2 | -175.3 | -159.9 | 0 | 113 | R499 K503 R512 T514 E532 | R499-K501 VanDerWaalsContact C-N 3.29Å; R499-K501 PolarHBondContact O-N 3.17Å; K501-K503 PolarHBondContact O-N 2.76Å; K501-R512 HydrophobicContact CB-CB 4.17Å; K501-R512 HydrophobicContact CD-CB 4.26Å; K501-T514 WeakPolarHBondContact CD-OG1 3.36Å; K501-T514 WeakPolarHBondContact CE-OG1 3.44Å; K501-T514 PolarHBondContact NZ-OG1 2.62Å; K501-E532 IonicContact NZ-OE1 2.67Å; K501-E532 PolarHBondContact NZ-OE1 2.63Å; K501-E532 IonicContact NZ-OE2 3.6Å; K501-E532 PolarHBondContact NZ-OE2 2.76Å |
| 502 | C | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 119 | -176.2 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | C492 R496 K500 R512 F513 | C492-C502 WeakPolarHBondContact CA-SG 3.42Å; C492-C502 HydrophobicContact CB-CB 3.4Å; C492-C502 WeakPolarHBondContact CB-SG 3.47Å; C492-C502 WeakPolarHBondContact SG-CB 3.47Å; C492-C502 CovalentContact SG-SG 2.04Å; C492-C502 PolarHBondContact SG-SG 2.76Å; R496-C502 HydrophobicContact CB-CB 3.66Å; R496-C502 HydrophobicContact CG-CB 4.09Å; K500-C502 PolarHBondContact O-N 2.71Å; C502-R512 CarbonylContact O-C 2.72Å; C502-R512 WeakPolarHBondContact O-CA 3.39Å; C502-F513 HydrophobicContact CB-CB 4.14Å; C502-F513 WeakPolarHBondContact CB-O 3.49Å; C502-F513 PolarHBondContact N-O 2.72Å; C502-F513 PolarHBondContact O-N 3.28Å |
| 503 | K | 92.4 | Very high | 87.2 | Confident | 97 Ų | 97 | 47.5 Ų | 47.5 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.1 | -177.2 | -55.6 | -166.8 | -153.7 | 96.1 | 0 | 111.3 | D259 K501 I511 | D259-K503 IonicContact OD2-NZ 2.76Å; D259-K503 PolarHBondContact OD2-NZ 2.79Å; K501-K503 PolarHBondContact O-N 2.76Å; K503-I511 WeakPolarHBondContact CA-O 3.36Å |
| 504 | L | 93.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 173 | 179.4 | 64.4 | 86.6 | 0 | 0 | 0 | 111.8 | I262 V266 F477 V488 I511 F513 | I262-L504 HydrophobicContact CG2-CB 4.39Å; V266-L504 HydrophobicContact CG1-CB 4.43Å; V266-L504 HydrophobicContact CG1-CD1 4.25Å; V266-L504 HydrophobicContact CG2-CB 4.43Å; V266-L504 HydrophobicContact CG2-CD2 4.48Å; F477-L504 HydrophobicContact CZ-CD1 4.46Å; V488-L504 HydrophobicContact CG1-CD2 3.44Å; V488-L504 VanDerWaalsContact CG1-CD2 3.44Å; L504-I511 HydrophobicContact CD1-CB 3.72Å; L504-I511 HydrophobicContact CD1-CD1 4.29Å; L504-I511 HydrophobicContact CD1-CG1 4.5Å; L504-I511 HydrophobicContact CD1-CG2 3.97Å; L504-I511 HydrophobicContact CG-CB 4.18Å; L504-I511 HydrophobicContact CG-CG2 4.2Å; L504-I511 PolarHBondContact N-O 3.22Å; L504-I511 PolarHBondContact O-N 3.38Å; L504-F513 HydrophobicContact CD2-CB 3.93Å; L504-F513 HydrophobicContact CD2-CD2 4.48Å; L504-F513 HydrophobicContact CD2-CG 4.46Å |
| 505 | V | 91.7 | Very high | 87.4 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.6 | 169.5 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | C509 | V505-C509 WeakPolarHBondContact CA-O 3.46Å |
| 506 | Y | 91.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 129.3 | 173.1 | -179.8 | -115.8 | 0 | 0 | 0 | 109.5 | Q270 A458 F477 F484 G508 C509 | Q270-Y506 HydrophobicContact CB-CD2 4.18Å; Q270-Y506 HydrophobicContact CB-CE2 4.2Å; Q270-Y506 HydrophobicContact CG-CD2 3.95Å; Q270-Y506 HydrophobicContact CG-CE2 3.78Å; Q270-Y506 VanDerWaalsContact OE1-CD2 3.28Å; A458-Y506 HydrophobicContact CB-CD1 3.92Å; A458-Y506 WeakPolarHBondContact CB-O 3.49Å; A458-Y506 WeakPolarHBondContact O-CE1 3.44Å; F477-Y506 HydrophobicContact CB-CE1 4.33Å; F477-Y506 AromaticContact CD1-CD1 3.52Å; F477-Y506 HydrophobicContact CD1-CD1 3.52Å; F477-Y506 AromaticContact CD1-CE1 3.85Å; F477-Y506 HydrophobicContact CD1-CE1 3.85Å; F477-Y506 HydrophobicContact CD1-CG 4.19Å; F477-Y506 AromaticContact CE1-CD1 3.87Å; F477-Y506 HydrophobicContact CE1-CD1 3.87Å; F477-Y506 HydrophobicContact CE1-CG 4.1Å; F477-Y506 HydrophobicContact CG-CD1 4.46Å; F477-Y506 HydrophobicContact CG-CE1 4.39Å; F484-Y506 HydrophobicContact CD1-CE2 4.09Å; F484-Y506 AromaticContact CE1-CD2 3.63Å; F484-Y506 HydrophobicContact CE1-CD2 3.63Å; F484-Y506 HydrophobicContact CE1-CE1 4.47Å; F484-Y506 AromaticContact CE1-CE2 3.38Å; F484-Y506 HydrophobicContact CE1-CE2 3.38Å; F484-Y506 HydrophobicContact CE1-CG 4.25Å; F484-Y506 AromaticContact CE1-CZ 3.85Å; F484-Y506 HydrophobicContact CE2-CD2 4.07Å; F484-Y506 AromaticContact CE2-CE2 3.88Å; F484-Y506 HydrophobicContact CE2-CE2 3.88Å; F484-Y506 AromaticContact CZ-CD2 3.24Å; F484-Y506 HydrophobicContact CZ-CD2 3.24Å; F484-Y506 AromaticContact CZ-CE2 3.27Å; F484-Y506 HydrophobicContact CZ-CE2 3.27Å; F484-Y506 HydrophobicContact CZ-CG 4.13Å; Y506-G508 PolarHBondContact O-N 2.95Å; Y506-G508 VanDerWaalsContact O-N 3.13Å; Y506-C509 PolarHBondContact N-O 3.45Å; Y506-C509 WeakPolarHBondContact O-CB 3.48Å; Y506-C509 PolarHBondContact O-N 2.98Å |
| 507 | K | 87.4 | Confident | 87.3 | Confident | 41 Ų | 41 | 46 Ų | 46 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 45.5 | -178.1 | -64.2 | 175.3 | 177.7 | 170.5 | 0 | 112.8 | A458 L478 C509 | A458-K507 HydrophobicContact CB-CB 3.84Å; L478-K507 PolarHBondContact O-NZ 2.85Å; K507-C509 PolarHBondContact O-N 3.37Å |
| 508 | G | 84.2 | Confident | 87.6 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 44% | 0.443 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -13 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y506 | Y506-G508 PolarHBondContact O-N 2.95Å; Y506-G508 VanDerWaalsContact O-N 3.13Å |
| 509 | C | 88 | Confident | 88.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.7 | 177 | 173 | 0 | 0 | 0 | 0 | 111.4 | A458 V505 Y506 K507 I511 C537 | A458-C509 HydrophobicContact CB-CB 3.42Å; A458-C509 VanDerWaalsContact CB-CB 3.42Å; V505-C509 WeakPolarHBondContact CA-O 3.46Å; Y506-C509 PolarHBondContact N-O 3.45Å; Y506-C509 WeakPolarHBondContact O-CB 3.48Å; Y506-C509 PolarHBondContact O-N 2.98Å; K507-C509 PolarHBondContact O-N 3.37Å; C509-I511 HydrophobicContact CB-CD1 4.48Å; C509-I511 HydrophobicContact CB-CG1 4.41Å; C509-I511 WeakPolarHBondContact SG-CG1 3.28Å; C509-C537 HydrophobicContact CB-CB 4.11Å; C509-C537 WeakPolarHBondContact CB-SG 3.19Å; C509-C537 WeakPolarHBondContact SG-CB 3.23Å; C509-C537 CovalentContact SG-SG 2.04Å; C509-C537 PolarHBondContact SG-SG 2.95Å |
| 510 | G | 91.1 | Very high | 88.6 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | D534 C537 | G510-D534 VanDerWaalsContact O-CB 3.23Å; G510-D534 WeakPolarHBondContact O-CB 3.2Å; G510-D534 PolarHBondContact O-N 2.69Å; G510-C537 WeakPolarHBondContact O-CB 3.13Å |
| 511 | I | 92.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.4 | -171.8 | -70.8 | 173.8 | 0 | 0 | 0 | 110.5 | M459 F477 K503 L504 C509 F513 P531 E532 | M459-I511 HydrophobicContact CB-CD1 4.4Å; M459-I511 HydrophobicContact CG-CD1 4.01Å; M459-I511 HydrophobicContact CG-CG1 4.46Å; M459-I511 HydrophobicContact SD-CD1 4.01Å; M459-I511 HydrophobicContact SD-CG1 4.01Å; F477-I511 HydrophobicContact CD1-CD1 4.25Å; F477-I511 HydrophobicContact CE1-CD1 3.66Å; K503-I511 WeakPolarHBondContact CA-O 3.36Å; L504-I511 HydrophobicContact CD1-CB 3.72Å; L504-I511 HydrophobicContact CD1-CD1 4.29Å; L504-I511 HydrophobicContact CD1-CG1 4.5Å; L504-I511 HydrophobicContact CD1-CG2 3.97Å; L504-I511 HydrophobicContact CG-CB 4.18Å; L504-I511 HydrophobicContact CG-CG2 4.2Å; L504-I511 PolarHBondContact N-O 3.22Å; L504-I511 PolarHBondContact O-N 3.38Å; C509-I511 HydrophobicContact CB-CD1 4.48Å; C509-I511 HydrophobicContact CB-CG1 4.41Å; C509-I511 WeakPolarHBondContact SG-CG1 3.28Å; I511-F513 HydrophobicContact CG2-CB 4.34Å; I511-P531 HydrophobicContact CD1-CB 4.4Å; I511-P531 HydrophobicContact CG2-CB 3.65Å; I511-E532 CarbonylContact C-O 3.56Å; I511-E532 WeakPolarHBondContact CA-O 3.43Å |
| 512 | R | 92.6 | Very high | 88.4 | Confident | 76 Ų | 76 | 43.6 Ų | 43.6 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 91.5 | 169.1 | -62.2 | 171.7 | -59 | 111.2 | 23.5 | 107.1 | K501 C502 T514 E532 A533 D534 | K501-R512 HydrophobicContact CB-CB 4.17Å; K501-R512 HydrophobicContact CD-CB 4.26Å; C502-R512 CarbonylContact O-C 2.72Å; C502-R512 WeakPolarHBondContact O-CA 3.39Å; R512-T514 PolarHBondContact O-N 2.96Å; R512-E532 IonicContact CZ-OE2 3.09Å; R512-E532 PolarHBondContact N-O 2.97Å; R512-E532 IonicContact NH1-OE2 3.34Å; R512-E532 PolarHBondContact NH1-OE2 3.41Å; R512-E532 IonicContact NH2-OE2 2.75Å; R512-E532 PolarHBondContact NH2-OE2 3.11Å; R512-E532 WeakPolarHBondContact O-CB 3.44Å; R512-E532 PolarHBondContact O-N 3.07Å; R512-E532 VanDerWaalsContact O-N 3.07Å; R512-A533 PolarHBondContact NH2-O 2.75Å; R512-D534 WeakPolarHBondContact CD-OD1 3.23Å; R512-D534 HydrophobicContact CG-CB 4.04Å; R512-D534 IonicContact NE-OD1 2.65Å |
| 513 | F | 93.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.4 | -179.4 | -165.4 | -80.1 | 0 | 0 | 0 | 109.8 | F477 V488 A489 C492 C502 L504 I511 P531 | F477-F513 AromaticContact CE2-CD2 3.99Å; F477-F513 HydrophobicContact CE2-CD2 3.99Å; F477-F513 AromaticContact CE2-CE2 3.62Å; F477-F513 HydrophobicContact CE2-CE2 3.62Å; F477-F513 AromaticContact CZ-CD2 3.89Å; F477-F513 HydrophobicContact CZ-CD2 3.89Å; F477-F513 HydrophobicContact CZ-CE2 4.01Å; V488-F513 HydrophobicContact CG1-CD2 3.92Å; V488-F513 HydrophobicContact CG1-CE2 4.03Å; V488-F513 HydrophobicContact CG1-CG 4.35Å; A489-F513 HydrophobicContact CB-CE1 4.13Å; A489-F513 HydrophobicContact CB-CZ 3.86Å; C492-F513 HydrophobicContact CB-CD1 3.63Å; C492-F513 HydrophobicContact CB-CE1 4.21Å; C492-F513 HydrophobicContact CB-CG 4.34Å; C502-F513 HydrophobicContact CB-CB 4.14Å; C502-F513 WeakPolarHBondContact CB-O 3.49Å; C502-F513 PolarHBondContact N-O 2.72Å; C502-F513 PolarHBondContact O-N 3.28Å; L504-F513 HydrophobicContact CD2-CB 3.93Å; L504-F513 HydrophobicContact CD2-CD2 4.48Å; L504-F513 HydrophobicContact CD2-CG 4.46Å; I511-F513 HydrophobicContact CG2-CB 4.34Å; F513-P531 HydrophobicContact CD2-CB 3.99Å; F513-P531 HydrophobicContact CE2-CB 4.41Å |
| 514 | T | 93 | Very high | 87.6 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.1 | 178.2 | -67 | 0 | 0 | 0 | 0 | 108.5 | K501 R512 S529 F530 E532 | K501-T514 WeakPolarHBondContact CD-OG1 3.36Å; K501-T514 WeakPolarHBondContact CE-OG1 3.44Å; K501-T514 PolarHBondContact NZ-OG1 2.62Å; R512-T514 PolarHBondContact O-N 2.96Å; T514-S529 CarbonylContact O-C 3.5Å; T514-S529 VanDerWaalsContact O-CA 3.32Å; T514-S529 WeakPolarHBondContact O-CA 3.37Å; T514-F530 HydrophobicContact CG2-CE1 4.16Å; T514-F530 HydrophobicContact CG2-CE2 4.14Å; T514-F530 HydrophobicContact CG2-CZ 3.75Å; T514-F530 PolarHBondContact N-O 3.05Å; T514-F530 PolarHBondContact O-N 2.93Å; T514-E532 PolarHBondContact OG1-OE1 3.46Å |
| 515 | S | 91.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.2 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 109.7 | C492 R496 G498 T528 | C492-S515 PolarHBondContact O-OG 2.98Å; R496-S515 PolarHBondContact O-OG 3.09Å; G498-S515 WeakPolarHBondContact CA-O 3.44Å; G498-S515 PolarHBondContact N-O 3.02Å; S515-T528 CarbonylContact C-O 3.56Å; S515-T528 WeakPolarHBondContact CA-O 3.48Å |
| 516 | G | 86.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S527 T528 | G516-S527 WeakPolarHBondContact O-CB 3.34Å; G516-S527 PolarHBondContact O-N 3.21Å; G516-T528 PolarHBondContact N-O 2.77Å; G516-T528 PolarHBondContact O-N 2.92Å |
| 517 | H | 86.7 | Confident | 87.1 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 159.9 | -177.8 | 49.6 | -78.3 | 0 | 0 | 0 | 111.3 | E519 R524 Y525 | H517-E519 IonicContact CD2-OE1 3.23Å; H517-E519 PolarHBondContact CD2-OE1 2.79Å; H517-E519 IonicContact NE2-OE1 3.59Å; H517-R524 HydrophobicContact CB-CG 4.03Å; H517-R524 PolarHBondContact CD2-NE 2.91Å; H517-R524 VanDerWaalsContact CD2-NE 3.3Å; H517-R524 PolarHBondContact CE1-NH2 3.07Å; H517-R524 PolarHBondContact NE2-NH2 3.27Å; H517-Y525 CarbonylContact C-O 3.59Å; H517-Y525 WeakPolarHBondContact CA-O 3.3Å; H517-Y525 WeakPolarHBondContact CB-O 3.45Å |
| 518 | L | 84.3 | Confident | 87.3 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.7 | 167.8 | -79.4 | 167.2 | 0 | 0 | 0 | 108.6 | Y403 R405 Y525 S527 | Y403-L518 HydrophobicContact CD2-CD1 4.06Å; Y403-L518 HydrophobicContact CE2-CD1 3.76Å; R405-L518 HydrophobicContact CG-CD1 4.2Å; L518-Y525 PolarHBondContact N-O 3Å; L518-Y525 PolarHBondContact O-N 3.41Å; L518-S527 VanDerWaalsContact CD1-OG 3.26Å; L518-S527 WeakPolarHBondContact CD1-OG 3.46Å; L518-S527 WeakPolarHBondContact CG-OG 3.27Å |
| 519 | E | 84.1 | Confident | 87.7 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 52% | 0.523 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.2 | 175.6 | -75.7 | 161.7 | -161.4 | 0 | 0 | 109.5 | H517 T523 R524 | H517-E519 IonicContact CD2-OE1 3.23Å; H517-E519 PolarHBondContact CD2-OE1 2.79Å; H517-E519 IonicContact NE2-OE1 3.59Å; E519-T523 WeakPolarHBondContact CA-O 3Å; E519-R524 HydrophobicContact CG-CB 3.97Å; E519-R524 HydrophobicContact CG-CG 3.84Å; E519-R524 IonicContact OE1-NE 3.91Å; E519-R524 PolarHBondContact OE1-NE 2.78Å; E519-R524 VanDerWaalsContact OE1-NE 3.07Å |
| 520 | R | 81.3 | Confident | 87.9 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 121.7 | -178.7 | -66.9 | -64.9 | -173.2 | -128.1 | 4.4 | 108.3 | A404 R405 G522 T523 Y525 | A404-R520 VanDerWaalsContact O-CZ 3.32Å; A404-R520 PolarHBondContact O-NE 3.45Å; A404-R520 PolarHBondContact O-NH2 2.95Å; R405-R520 PolarHBondContact O-NH2 3.12Å; R520-G522 PolarHBondContact O-N 2.93Å; R520-T523 PolarHBondContact N-O 2.69Å; R520-T523 PolarHBondContact O-N 3.08Å; R520-Y525 HydrophobicContact CB-CD2 4.4Å; R520-Y525 HydrophobicContact CB-CE2 3.98Å |
| 521 | N | 80 | Confident | 88.1 | Confident | 170 Ų | 170 | 49.6 Ų | 49.6 | 91% | 0.909 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 39.1 | 178.3 | -54.5 | -1.9 | 0 | 0 | 0 | 113.4 | T523 | N521-T523 VanDerWaalsContact C-N 3.25Å; N521-T523 PolarHBondContact O-N 2.76Å |
| 522 | G | 78.8 | Confident | 88 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 84% | 0.835 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -23.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R520 | R520-G522 PolarHBondContact O-N 2.93Š|
| 523 | T | 82 | Confident | 87.8 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 136.4 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | E519 R520 N521 Y525 | E519-T523 WeakPolarHBondContact CA-O 3Å; R520-T523 PolarHBondContact N-O 2.69Å; R520-T523 PolarHBondContact O-N 3.08Å; N521-T523 VanDerWaalsContact C-N 3.25Å; N521-T523 PolarHBondContact O-N 2.76Å; T523-Y525 HydrophobicContact CG2-CD2 4.15Å; T523-Y525 HydrophobicContact CG2-CE1 3.98Å; T523-Y525 HydrophobicContact CG2-CE2 3.51Å; T523-Y525 VanDerWaalsContact CG2-CZ 3.43Å; T523-Y525 WeakPolarHBondContact O-CD2 3.11Å |
| 524 | R | 84.4 | Confident | 87.4 | Confident | 135 Ų | 135 | 50.4 Ų | 50.4 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106.3 | -176 | -171.3 | -176.7 | -154.4 | -148.6 | 4.5 | 111.2 | H517 E519 | H517-R524 HydrophobicContact CB-CG 4.03Å; H517-R524 PolarHBondContact CD2-NE 2.91Å; H517-R524 VanDerWaalsContact CD2-NE 3.3Å; H517-R524 PolarHBondContact CE1-NH2 3.07Å; H517-R524 PolarHBondContact NE2-NH2 3.27Å; E519-R524 HydrophobicContact CG-CB 3.97Å; E519-R524 HydrophobicContact CG-CG 3.84Å; E519-R524 IonicContact OE1-NE 3.91Å; E519-R524 PolarHBondContact OE1-NE 2.78Å; E519-R524 VanDerWaalsContact OE1-NE 3.07Å |
| 525 | Y | 88.6 | Confident | 86.8 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 146.5 | -175.1 | -59.9 | -93.3 | 0 | 0 | 0 | 112.2 | A401 Y403 H517 L518 R520 T523 S527 | A401-Y525 HydrophobicContact CB-CD1 4.25Å; A401-Y525 HydrophobicContact CB-CE1 3.91Å; Y403-Y525 AromaticContact CD1-CD1 3.5Å; Y403-Y525 HydrophobicContact CD1-CD1 3.5Å; Y403-Y525 VanDerWaalsContact CD1-CD1 3.5Å; Y403-Y525 HydrophobicContact CD1-CD2 4.38Å; Y403-Y525 HydrophobicContact CD1-CE1 4.29Å; Y403-Y525 AromaticContact CD1-CG 3.54Å; Y403-Y525 HydrophobicContact CD1-CG 3.54Å; Y403-Y525 HydrophobicContact CE1-CD1 4.26Å; Y403-Y525 HydrophobicContact CE1-CG 4.21Å; Y403-Y525 HydrophobicContact CG-CD1 4.25Å; Y403-Y525 HydrophobicContact CG-CD2 4.47Å; Y403-Y525 HydrophobicContact CG-CG 4.05Å; H517-Y525 CarbonylContact C-O 3.59Å; H517-Y525 WeakPolarHBondContact CA-O 3.3Å; H517-Y525 WeakPolarHBondContact CB-O 3.45Å; L518-Y525 PolarHBondContact N-O 3Å; L518-Y525 PolarHBondContact O-N 3.41Å; R520-Y525 HydrophobicContact CB-CD2 4.4Å; R520-Y525 HydrophobicContact CB-CE2 3.98Å; T523-Y525 HydrophobicContact CG2-CD2 4.15Å; T523-Y525 HydrophobicContact CG2-CE1 3.98Å; T523-Y525 HydrophobicContact CG2-CE2 3.51Å; T523-Y525 VanDerWaalsContact CG2-CZ 3.43Å; T523-Y525 WeakPolarHBondContact O-CD2 3.11Å; Y525-S527 PolarHBondContact O-N 3.31Å |
| 526 | L | 90.7 | Very high | 86.2 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.6 | 167.5 | 178.6 | 54.5 | 0 | 0 | 0 | 109.6 | L398 W399 Y403 A414 | L398-L526 HydrophobicContact CD1-CB 4.09Å; W399-L526 HydrophobicContact CD2-CD2 4.27Å; W399-L526 HydrophobicContact CE3-CD2 4.28Å; W399-L526 HydrophobicContact CH2-CD2 3.69Å; W399-L526 HydrophobicContact CZ2-CD2 3.63Å; W399-L526 HydrophobicContact CZ3-CD2 4Å; Y403-L526 WeakPolarHBondContact CE1-O 3.45Å; Y403-L526 PolarHBondContact OH-O 2.96Å; A414-L526 HydrophobicContact CB-CB 3.76Å; A414-L526 HydrophobicContact CB-CD2 4.14Å; A414-L526 HydrophobicContact CB-CG 3.85Å; A414-L526 WeakPolarHBondContact CB-O 3.31Å |
| 527 | S | 89.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -45.2 | -169.3 | 179 | 0 | 0 | 0 | 0 | 114.2 | Y403 R405 H417 G516 L518 Y525 | Y403-S527 WeakPolarHBondContact OH-CA 3.03Å; R405-S527 PolarHBondContact NH1-O 3.21Å; R405-S527 PolarHBondContact NH1-OG 2.89Å; H417-S527 PolarHBondContact CD2-O 2.9Å; G516-S527 WeakPolarHBondContact O-CB 3.34Å; G516-S527 PolarHBondContact O-N 3.21Å; L518-S527 VanDerWaalsContact CD1-OG 3.26Å; L518-S527 WeakPolarHBondContact CD1-OG 3.46Å; L518-S527 WeakPolarHBondContact CG-OG 3.27Å; Y525-S527 PolarHBondContact O-N 3.31Å |
| 528 | T | 90.1 | Very high | 85.1 | Confident | 30 Ų | 30 | 62 Ų | 62 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 145.4 | 180 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | H417 S515 G516 F530 | H417-T528 PolarHBondContact CD2-OG1 2.93Å; H417-T528 VanDerWaalsContact CD2-OG1 3.24Å; H417-T528 WeakPolarHBondContact NE2-CB 3.47Å; H417-T528 PolarHBondContact NE2-OG1 2.86Å; S515-T528 CarbonylContact C-O 3.56Å; S515-T528 WeakPolarHBondContact CA-O 3.48Å; G516-T528 PolarHBondContact N-O 2.77Å; G516-T528 PolarHBondContact O-N 2.92Å; T528-F530 HydrophobicContact CG2-CE1 4.47Å |
| 529 | S | 93 | Very high | 84 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 125.8 | -178.7 | -88.8 | 0 | 0 | 0 | 0 | 110 | T514 | T514-S529 CarbonylContact O-C 3.5Å; T514-S529 VanDerWaalsContact O-CA 3.32Å; T514-S529 WeakPolarHBondContact O-CA 3.37Å |
| 530 | F | 93.4 | Very high | 82.6 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 150.9 | 177.1 | 54.9 | -94.2 | 0 | 0 | 0 | 113.3 | H432 T514 T528 E532 | H432-F530 HydrophobicContact CB-CB 4.24Å; H432-F530 AromaticContact CE1-CD1 3.78Å; H432-F530 AromaticContact CE1-CG 3.83Å; H432-F530 VanDerWaalsContact ND1-CB 3.32Å; H432-F530 WeakPolarHBondContact ND1-CB 3.32Å; H432-F530 AromaticContact ND1-CG 3.83Å; T514-F530 HydrophobicContact CG2-CE1 4.16Å; T514-F530 HydrophobicContact CG2-CE2 4.14Å; T514-F530 HydrophobicContact CG2-CZ 3.75Å; T514-F530 PolarHBondContact N-O 3.05Å; T514-F530 PolarHBondContact O-N 2.93Å; T528-F530 HydrophobicContact CG2-CE1 4.47Å; F530-E532 HydrophobicContact CD2-CG 4.32Å; F530-E532 HydrophobicContact CE2-CG 4.13Å |
| 531 | P | 93.8 | Very high | 80.7 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | trans | -75.4 | 147.5 | 174.8 | 30.9 | -34.4 | 0 | 0 | 0 | 112.2 | M459 S475 F477 I511 F513 | M459-P531 HydrophobicContact CB-CG 4.49Å; M459-P531 HydrophobicContact SD-CB 4.01Å; M459-P531 HydrophobicContact SD-CG 4.44Å; S475-P531 WeakPolarHBondContact CB-O 3.25Å; S475-P531 PolarHBondContact OG-O 3.33Å; F477-P531 HydrophobicContact CD1-CB 4.35Å; F477-P531 HydrophobicContact CD1-CG 4.25Å; F477-P531 HydrophobicContact CD2-CG 4.43Å; F477-P531 HydrophobicContact CE1-CB 4.01Å; F477-P531 HydrophobicContact CE1-CG 4.37Å; F477-P531 HydrophobicContact CG-CG 4.28Å; F477-P531 HydrophobicContact CZ-CB 4.13Å; I511-P531 HydrophobicContact CD1-CB 4.4Å; I511-P531 HydrophobicContact CG2-CB 3.65Å; F513-P531 HydrophobicContact CD2-CB 3.99Å; F513-P531 HydrophobicContact CE2-CB 4.41Å | ||
| 532 | E | 91.2 | Very high | 78.7 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | trans | -124.1 | 139.3 | 159.8 | -68.1 | 167 | -147.9 | 0 | 0 | 110.1 | K501 I511 R512 T514 F530 | K501-E532 IonicContact NZ-OE1 2.67Å; K501-E532 PolarHBondContact NZ-OE1 2.63Å; K501-E532 IonicContact NZ-OE2 3.6Å; K501-E532 PolarHBondContact NZ-OE2 2.76Å; I511-E532 CarbonylContact C-O 3.56Å; I511-E532 WeakPolarHBondContact CA-O 3.43Å; R512-E532 IonicContact CZ-OE2 3.09Å; R512-E532 PolarHBondContact N-O 2.97Å; R512-E532 IonicContact NH1-OE2 3.34Å; R512-E532 PolarHBondContact NH1-OE2 3.41Å; R512-E532 IonicContact NH2-OE2 2.75Å; R512-E532 PolarHBondContact NH2-OE2 3.11Å; R512-E532 WeakPolarHBondContact O-CB 3.44Å; R512-E532 PolarHBondContact O-N 3.07Å; R512-E532 VanDerWaalsContact O-N 3.07Å; T514-E532 PolarHBondContact OG1-OE1 3.46Å; F530-E532 HydrophobicContact CD2-CG 4.32Å; F530-E532 HydrophobicContact CE2-CG 4.13Å | ||
| 533 | A | 87.9 | Confident | 76.2 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 141.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | K454 M459 R512 C537 | K454-A533 HydrophobicContact CB-CB 3.75Å; K454-A533 HydrophobicContact CD-CB 3.96Å; K454-A533 HydrophobicContact CG-CB 4.42Å; M459-A533 HydrophobicContact CE-CB 4.35Å; M459-A533 HydrophobicContact SD-CB 4.03Å; M459-A533 PolarHBondContact SD-N 3.09Å; R512-A533 PolarHBondContact NH2-O 2.75Å; A533-C537 HydrophobicContact CB-CB 3.82Å |
| 534 | D | 85.7 | Confident | 73.7 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | trans | -97.6 | 177.5 | 169.4 | -154.4 | -4.9 | 0 | 0 | 0 | 111.4 | K454 G510 R512 V536 C537 | K454-D534 PolarHBondContact NZ-O 3.24Å; G510-D534 VanDerWaalsContact O-CB 3.23Å; G510-D534 WeakPolarHBondContact O-CB 3.2Å; G510-D534 PolarHBondContact O-N 2.69Å; R512-D534 WeakPolarHBondContact CD-OD1 3.23Å; R512-D534 HydrophobicContact CG-CB 4.04Å; R512-D534 IonicContact NE-OD1 2.65Å; D534-V536 PolarHBondContact O-N 3.06Å; D534-C537 WeakPolarHBondContact O-CB 3.46Å; D534-C537 PolarHBondContact O-N 3.2Å | ||
| 535 | K | 80.7 | Confident | 71.1 | Confident | 190 Ų | 190 | 60.8 Ų | 60.8 | 83% | 0.826 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -42.2 | 171.7 | -67 | -173.1 | 178 | -176.3 | 0 | 111.4 | K454 C537 | K454-K535 PolarHBondContact NZ-O 2.92Å; K535-C537 VanDerWaalsContact C-N 3.26Å; K535-C537 PolarHBondContact O-N 2.8Å |
| 536 | V | 77.8 | Confident | 68.3 | Low | 112 Ų | 112 | 64.9 Ų | 64.9 | 68% | 0.679 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3 | -179.7 | -161.8 | 0 | 0 | 0 | 0 | 113.1 | D534 P538 | D534-V536 PolarHBondContact O-N 3.06Å; V536-P538 WeakPolarHBondContact O-CD 3.49Å |
| 537 | C | 79.7 | Confident | 65.2 | Low | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -69.7 | 121.1 | 169.8 | -167.2 | 0 | 0 | 0 | 0 | 110.1 | K454 C509 G510 A533 D534 K535 E539 | K454-C537 HydrophobicContact CD-CB 4.4Å; K454-C537 PolarHBondContact NZ-O 3.25Å; C509-C537 HydrophobicContact CB-CB 4.11Å; C509-C537 WeakPolarHBondContact CB-SG 3.19Å; C509-C537 WeakPolarHBondContact SG-CB 3.23Å; C509-C537 CovalentContact SG-SG 2.04Å; C509-C537 PolarHBondContact SG-SG 2.95Å; G510-C537 WeakPolarHBondContact O-CB 3.13Å; A533-C537 HydrophobicContact CB-CB 3.82Å; D534-C537 WeakPolarHBondContact O-CB 3.46Å; D534-C537 PolarHBondContact O-N 3.2Å; K535-C537 VanDerWaalsContact C-N 3.26Å; K535-C537 PolarHBondContact O-N 2.8Å; C537-E539 PolarHBondContact O-N 2.87Å |
| 538 | P | 69.8 | Low | 62.4 | Low | 46 Ų | 46 | 73.6 Ų | 73.6 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 117.7 | 179.3 | 23.1 | -21.1 | 0 | 0 | 0 | 108.7 | Q206 S456 V536 | Q206-P538 VanDerWaalsContact CD-CG 3.46Å; S456-P538 VanDerWaalsContact CB-O 3.29Å; S456-P538 WeakPolarHBondContact CB-O 3.49Å; V536-P538 WeakPolarHBondContact O-CD 3.49Å |
| 539 | E | 63.1 | Low | 59.5 | Low | 104 Ų | 104 | 75.3 Ų | 75.3 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 140.7 | -175.7 | -174.4 | 156.8 | -153.6 | 0 | 0 | 110.7 | K454 C537 T541 | K454-E539 HydrophobicContact CG-CG 4.4Å; C537-E539 PolarHBondContact O-N 2.87Å; E539-T541 PolarHBondContact O-N 3.17Å |
| 540 | Y | 54.5 | Low | 56.7 | Low | 73 Ų | 73 | 83.6 Ų | 83.6 | 29% | 0.286 | 46% | 0.462 | S | S | . | . | trans | -68.2 | 81.7 | 173.4 | -172.9 | -101.6 | 0 | 0 | 0 | 109.6 | N173 R203 Y286 M455 R542 | N173-Y540 PolarHBondContact OD1-OH 2.69Å; R203-Y540 HydrophobicContact CB-CD2 4.37Å; R203-Y540 HydrophobicContact CB-CE2 4Å; R203-Y540 WeakPolarHBondContact CD-OH 3.35Å; R203-Y540 HydrophobicContact CG-CE2 4.33Å; R203-Y540 PolarHBondContact NH1-OH 2.83Å; Y286-Y540 HydrophobicContact CD2-CD1 4.22Å; Y286-Y540 HydrophobicContact CD2-CE1 4.13Å; M455-Y540 PolarHBondContact O-N 2.95Å; Y540-R542 PolarHBondContact O-N 2.73Å | ||
| 541 | T | 40.5 | Very low | 53.6 | Low | 81 Ų | 81 | 87 Ų | 87 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 120.1 | -168.4 | 44.6 | 0 | 0 | 0 | 0 | 111.7 | R203 E539 | R203-T541 PolarHBondContact NE-O 3.42Å; R203-T541 PolarHBondContact NH2-O 3.5Å; E539-T541 PolarHBondContact O-N 3.17Å |
| 542 | R | 38 | Very low | 50.5 | Low | 131 Ų | 131 | 94.1 Ų | 94.1 | 49% | 0.494 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 146.7 | 154.2 | -59.2 | -173.4 | -163.7 | 164.9 | 8.5 | 107.3 | Y451 Y540 | Y451-R542 PolarHBondContact OH-NE 3.41Å; Y451-R542 PolarHBondContact OH-NH2 3.3Å; Y540-R542 PolarHBondContact O-N 2.73Å |
| 543 | A | 26.9 | Very low | 47.5 | Very low | 22 Ų | 22 | 98 Ų | 98 | 18% | 0.182 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 142.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | F170 E545 | F170-A543 HydrophobicContact CE2-CB 3.45Å; F170-A543 VanDerWaalsContact CE2-CB 3.45Å; F170-A543 HydrophobicContact CZ-CB 3.64Å; A543-E545 PolarHBondContact O-N 3.15Å |
| 544 | P | 28.4 | Very low | 44.8 | Very low | 100 Ų | 100 | 104.9 Ų | 104.9 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 128.7 | 173.6 | -26.2 | 34.6 | 0 | 0 | 0 | 109.6 | L546 | P544-L546 PolarHBondContact O-N 2.59Š|
| 545 | E | 29.5 | Very low | 42 | Very low | 165 Ų | 165 | 108.9 Ų | 108.9 | 77% | 0.771 | 59% | 0.591 | S | S | * | * | trans | -58.4 | 111.6 | 155.5 | -73.1 | 170.8 | -157.5 | 0 | 0 | 105 | A543 G547 | A543-E545 PolarHBondContact O-N 3.15Å; E545-G547 PolarHBondContact O-N 2.93Å | ||
| 546 | L | 29.9 | Very low | 39.6 | Very low | 137 Ų | 137 | 110.5 Ų | 110.5 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | trans | -71.3 | 83.3 | -177.7 | -94.3 | 158.7 | 0 | 0 | 0 | 108.1 | P544 T548 | P544-L546 PolarHBondContact O-N 2.59Å; L546-T548 PolarHBondContact O-N 3.4Å | ||
| 547 | G | 27 | Very low | 37.3 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | trans | -58.2 | 122.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E545 G549 | E545-G547 PolarHBondContact O-N 2.93Å; G547-G549 PolarHBondContact O-N 2.71Å | ||
| 548 | T | 30.9 | Very low | 34.9 | Very low | 139 Ų | 139 | 119 Ų | 119 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -61.2 | 112.4 | 154.5 | 44.7 | 0 | 0 | 0 | 0 | 107 | L546 H550 | L546-T548 PolarHBondContact O-N 3.4Å; T548-H550 PolarHBondContact O-N 3.26Å | ||
| 549 | G | 28.5 | Very low | 33.1 | Very low | 65 Ų | 65 | 126.9 Ų | 126.9 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | trans | -68.7 | 129.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G547 | G547-G549 PolarHBondContact O-N 2.71Š| ||
| 550 | H | 33 | Very low | 31.5 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 82% | 0.815 | 69% | 0.688 | S | S | * | * | -158.2 | 151.7 | 105.8 | -103.8 | -71.9 | 0 | 0 | 0 | 111.3 | T548 | T548-H550 PolarHBondContact O-N 3.26Š| |||
| 551 | N | 29.5 | Very low | 30.6 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | trans | 26.9 | 147.2 | 145.9 | -67.9 | 41.5 | 0 | 0 | 0 | 122.7 | ||||
| 552 | E | 29.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | 66.7 | 104.1 | 146.5 | -70.7 | 146.5 | -125.9 | 0 | 0 | 118.6 | ||||
| 553 | T | 28.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | 71.3 | 130.9 | 94.4 | -11.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 554 | Q | 29.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 79.7 | 113.1 | 159.1 | -53.1 | -163 | 22.6 | 0 | 0 | 120.7 | ||||
| 555 | I | 27.8 | Very low | 31 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 65% | 0.646 | 78% | 0.779 | S | S | * | * | 69.7 | 108.2 | 120.3 | -60.9 | 172.8 | 0 | 0 | 0 | 119.8 | |||||
| 556 | R | 29.9 | Very low | 31.3 | Very low | 224 Ų | 224 | 145.5 Ų | 145.5 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 65.2 | 124.6 | 143.7 | -64.1 | 171.2 | -179.8 | 174.8 | -1.7 | 121.5 | ||||
| 557 | K | 29.5 | Very low | 31.8 | Very low | 211 Ų | 211 | 141 Ų | 141 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | 49.3 | 105.5 | 137 | -60.9 | -177.9 | 176.8 | -177.3 | 0 | 119.1 | ||||
| 558 | G | 29.9 | Very low | 32.4 | Very low | 82 Ų | 82 | 142 Ų | 142 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -156.1 | 158.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 559 | K | 32 | Very low | 32.4 | Very low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | trans | -94.4 | 176.9 | -175.3 | -75.1 | 178.5 | 175.6 | 176.5 | 0 | 113.7 | ||||
| 560 | L | 29.5 | Very low | 32.5 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | trans | -67.1 | 157.1 | -177.6 | -62.1 | 69.7 | 0 | 0 | 0 | 114.4 | ||||
| 561 | D | 34.3 | Very low | 32.2 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | -168.5 | -173.9 | 99.7 | -123.4 | -50.2 | 0 | 0 | 0 | 115 | |||||
| 562 | M | 32 | Very low | 32.5 | Very low | 180 Ų | 180 | 126 Ų | 126 | 89% | 0.887 | 64% | 0.635 | S | S | * | * | trans | -125.1 | 162.2 | -159.7 | -56.1 | -166.6 | -63.5 | 0 | 0 | 119.6 | ||||
| 563 | G | 36.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 60% | 0.601 | S | S | * | * | trans | 179.1 | 110.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 564 | K | 38.4 | Very low | 33.3 | Very low | 215 Ų | 215 | 117 Ų | 117 | 94% | 0.935 | 58% | 0.583 | S | S | * | * | trans | 71.9 | 167.3 | 144.8 | -61.5 | -179.2 | 179.2 | 175.9 | 0 | 124.2 | ||||
| 565 | K | 36.5 | Very low | 34.2 | Very low | 139 Ų | 139 | 109.7 Ų | 109.7 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | trans | -164.4 | 169.7 | -158.5 | -69.2 | 174.6 | 172.1 | 170.2 | 0 | 115.9 | P162 | P162-K565 HydrophobicContact CG-CD 4.32Š| ||
| 566 | E | 36.6 | Very low | 35.5 | Very low | 149 Ų | 149 | 103.8 Ų | 103.8 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | trans | -170.7 | -171.4 | 136.4 | -104.3 | -167.5 | 144.8 | 0 | 0 | 122 | R568 | E566-R568 IonicContact OE1-CZ 3.39Å; E566-R568 VanDerWaalsContact OE1-CZ 3.28Å; E566-R568 IonicContact OE1-NH1 3.85Å; E566-R568 PolarHBondContact OE1-NH1 3.41Å; E566-R568 IonicContact OE1-NH2 2.66Å; E566-R568 PolarHBondContact OE1-NH2 2.97Å; E566-R568 IonicContact OE2-NH1 3.24Å | ||
| 567 | K | 39.1 | Very low | 37.3 | Very low | 43 Ų | 43 | 95.5 Ų | 95.5 | 19% | 0.187 | 49% | 0.492 | C | S | . | . | trans | -171.1 | 0 | -145 | 173.1 | -179.9 | -178.3 | -160.5 | 0 | 121 | S158 P162 S180 D182 | S158-K567 PolarHBondContact O-NZ 2.66Å; P162-K567 HydrophobicContact CB-CD 3.54Å; P162-K567 VanDerWaalsContact CB-NZ 3.26Å; S180-K567 WeakPolarHBondContact O-CE 3.49Å; D182-K567 WeakPolarHBondContact OD1-CE 3.5Å; D182-K567 IonicContact OD1-NZ 2.89Å; D182-K567 PolarHBondContact OD1-NZ 3.14Å; D182-K567 WeakPolarHBondContact OD2-CE 3.21Å; D182-K567 IonicContact OD2-NZ 2.68Å; D182-K567 PolarHBondContact OD2-NZ 2.86Å | ||
| 568 | R | 39.5 | Very low | 39.4 | Very low | 88 Ų | 88 | 85.7 Ų | 85.7 | 33% | 0.332 | 45% | 0.449 | S | S | . | . | 0 | 0 | 0 | -71.2 | 160.9 | -166.9 | 106.1 | -1.4 | 117 | H181 D182 T184 E566 | H181-R568 VanDerWaalsContact ND1-C 3.34Å; H181-R568 PolarHBondContact ND1-O 3.44Å; D182-R568 HydrophobicContact CB-CG 4.2Å; D182-R568 WeakPolarHBondContact O-CB 3.33Å; D182-R568 WeakPolarHBondContact O-CG 3.49Å; T184-R568 PolarHBondContact OG1-NE 2.89Å; E566-R568 IonicContact OE1-CZ 3.39Å; E566-R568 VanDerWaalsContact OE1-CZ 3.28Å; E566-R568 IonicContact OE1-NH1 3.85Å; E566-R568 PolarHBondContact OE1-NH1 3.41Å; E566-R568 IonicContact OE1-NH2 2.66Å; E566-R568 PolarHBondContact OE1-NH2 2.97Å; E566-R568 IonicContact OE2-NH1 3.24Å | |||
| 569 | G | 32.2 | Very low | 41.7 | Very low | 35 Ų | 35 | 83.7 Ų | 83.7 | 36% | 0.361 | 42% | 0.421 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 118.7 | D182 S192 | D182-G569 WeakPolarHBondContact O-CA 3.48Å; S192-G569 WeakPolarHBondContact OG-CA 3.25Å | |||
| 570 | K | 28.6 | Very low | 43.7 | Very low | 123 Ų | 123 | 76.7 Ų | 76.7 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | 0 | 0 | 0 | -113.2 | 171.3 | -178.6 | 173.4 | 0 | 119.9 | R70 H82 L94 S192 | R70-K570 VanDerWaalsContact CZ-C 3.47Å; R70-K570 VanDerWaalsContact CZ-O 3.31Å; R70-K570 PolarHBondContact NH2-O 3.35Å; H82-K570 PolarHBondContact CE1-O 3.02Å; H82-K570 VanDerWaalsContact CE1-O 3.28Å; H82-K570 VanDerWaalsContact ND1-C 3.31Å; H82-K570 PolarHBondContact ND1-O 3.4Å; L94-K570 HydrophobicContact CB-CB 4.26Å; L94-K570 HydrophobicContact CB-CD 4.15Å; L94-K570 HydrophobicContact CB-CG 3.95Å; L94-K570 HydrophobicContact CD1-CG 4.38Å; S192-K570 PolarHBondContact OG-N 2.7Å; S192-K570 PolarHBondContact OG-O 3.03Å | |||
| 571 | E | 28.5 | Very low | 45.9 | Very low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | 0 | 172.2 | 0 | -144.4 | 130.7 | -151.1 | 0 | 0 | 126.6 | Y68 R70 S77 E81 H82 E87 L94 G95 | Y68-E571 WeakPolarHBondContact CE2-OE2 3.43Å; Y68-E571 PolarHBondContact OH-OE1 2.79Å; Y68-E571 VanDerWaalsContact OH-OE1 3.14Å; Y68-E571 PolarHBondContact OH-OE2 2.89Å; R70-E571 IonicContact CZ-OE2 3.41Å; R70-E571 IonicContact NE-OE2 2.77Å; R70-E571 PolarHBondContact NE-OE2 2.84Å; R70-E571 IonicContact NH2-OE2 2.89Å; R70-E571 PolarHBondContact NH2-OE2 2.99Å; S77-E571 WeakPolarHBondContact CB-OE2 3.47Å; E81-E571 HydrophobicContact CG-CG 4.33Å; H82-E571 VanDerWaalsContact CA-OE1 3.23Å; H82-E571 WeakPolarHBondContact CA-OE1 2.98Å; H82-E571 HydrophobicContact CB-CG 3.86Å; H82-E571 VanDerWaalsContact CB-OE1 3.23Å; H82-E571 WeakPolarHBondContact CB-OE1 3.16Å; H82-E571 PolarHBondContact N-OE1 3.02Å; H82-E571 WeakPolarHBondContact ND1-CA 3.35Å; H82-E571 PolarHBondContact ND1-N 3.5Å; E87-E571 HydrophobicContact CB-CB 3.75Å; E87-E571 HydrophobicContact CB-CG 3.75Å; E87-E571 HydrophobicContact CG-CB 4.3Å; E87-E571 HydrophobicContact CG-CG 3.94Å; E87-E571 CarbonylContact O-C 3.58Å; E87-E571 VanDerWaalsContact O-C 3.29Å; E87-E571 VanDerWaalsContact O-O 3.05Å; E87-E571 WeakPolarHBondContact OE1-CG 3.16Å; E87-E571 VanDerWaalsContact OE1-OE2 3.1Å; E87-E571 WeakPolarHBondContact OE2-CB 2.85Å; E87-E571 WeakPolarHBondContact OE2-CG 3.19Å; L94-E571 CarbonylContact C-O 3.25Å; L94-E571 WeakPolarHBondContact CA-O 3.32Å; L94-E571 WeakPolarHBondContact CB-O 3.28Å; L94-E571 WeakPolarHBondContact CG-O 3.44Å; L94-E571 PolarHBondContact N-O 2.89Å; G95-E571 PolarHBondContact N-O 3.46Å | |||
| 572 | K | 35.1 | Very low | 48.2 | Very low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -106.5 | -148.7 | -142.8 | -138.3 | -152.1 | -130.7 | -149.7 | 0 | 125.2 | E81 H82 V83 F84 L85 G86 E87 M88 L96 R101 | E81-K572 WeakPolarHBondContact O-CB 2.94Å; H82-K572 WeakPolarHBondContact O-CB 3.32Å; H82-K572 WeakPolarHBondContact O-CD 2.94Å; H82-K572 WeakPolarHBondContact O-CE 3.27Å; H82-K572 WeakPolarHBondContact O-CG 3.23Å; V83-K572 WeakPolarHBondContact O-CE 3.21Å; V83-K572 PolarHBondContact O-NZ 2.87Å; F84-K572 VanDerWaalsContact C-CE 3.41Å; F84-K572 PolarHBondContact O-NZ 3.33Å; L85-K572 WeakPolarHBondContact O-CD 2.83Å; G86-K572 VanDerWaalsContact C-CA 3.44Å; G86-K572 CarbonylContact C-O 3.55Å; G86-K572 CarbonylContact O-C 3.58Å; G86-K572 VanDerWaalsContact O-C 3.24Å; G86-K572 WeakPolarHBondContact O-CA 3.06Å; G86-K572 WeakPolarHBondContact O-CB 3.34Å; G86-K572 PolarHBondContact O-N 3.03Å; E87-K572 CarbonylContact C-O 3.38Å; E87-K572 VanDerWaalsContact CA-O 3.25Å; E87-K572 WeakPolarHBondContact CA-O 3Å; E87-K572 PolarHBondContact N-O 3.4Å; E87-K572 PolarHBondContact O-N 3.25Å; M88-K572 PolarHBondContact N-O 2.89Å; L96-K572 HydrophobicContact CB-CD 4.22Å; L96-K572 HydrophobicContact CB-CG 3.75Å; L96-K572 HydrophobicContact CD1-CD 3.66Å; L96-K572 HydrophobicContact CD1-CG 4.12Å; R101-K572 HydrophobicContact CG-CD 4.48Å | ||
| 573 | Q | 34.4 | Very low | 50.6 | Low | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -162.5 | -171.7 | -167.3 | -84.2 | -150.2 | -27.8 | 0 | 0 | 124.8 | L85 G86 M88 V93 R101 L105 W131 | L85-Q573 CarbonylContact O-C 3.52Å; L85-Q573 PolarHBondContact O-N 3.03Å; G86-Q573 VanDerWaalsContact CA-N 3.32Å; M88-Q573 HydrophobicContact CB-CG 4.25Å; V93-Q573 HydrophobicContact CB-CG 4.06Å; V93-Q573 HydrophobicContact CG1-CB 3.98Å; V93-Q573 VanDerWaalsContact CG1-CD 3.41Å; V93-Q573 HydrophobicContact CG1-CG 3.41Å; V93-Q573 VanDerWaalsContact CG1-CG 3.41Å; V93-Q573 HydrophobicContact CG2-CG 4.18Å; V93-Q573 VanDerWaalsContact CG2-NE2 3.32Å; R101-Q573 PolarHBondContact NE-O 2.83Å; R101-Q573 VanDerWaalsContact NE-O 3.16Å; R101-Q573 PolarHBondContact NH2-O 3.15Å; L105-Q573 HydrophobicContact CD1-CB 4.23Å; W131-Q573 HydrophobicContact CB-CG 4.45Å; W131-Q573 HydrophobicContact CE3-CB 3.96Å; W131-Q573 HydrophobicContact CE3-CG 3.67Å; W131-Q573 HydrophobicContact CZ3-CG 4.5Å | ||
| 574 | K | 39.5 | Very low | 53 | Low | 84 Ų | 84 | 56.3 Ų | 56.3 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | trans | -143.5 | 170 | -164.7 | -159.4 | -111.2 | -93.3 | -179.8 | 0 | 115.6 | P6 L105 W131 | P6-K574 HydrophobicContact CB-CB 4.45Å; P6-K574 HydrophobicContact CG-CB 4.09Å; P6-K574 HydrophobicContact CG-CG 4.17Å; L105-K574 WeakPolarHBondContact CD1-O 3.4Å; W131-K574 VanDerWaalsContact CD1-C 3.46Å; W131-K574 HydrophobicContact CD2-CB 3.81Å; W131-K574 HydrophobicContact CE3-CB 3.91Å; W131-K574 HydrophobicContact CH2-CB 3.71Å; W131-K574 HydrophobicContact CH2-CD 4.1Å; W131-K574 HydrophobicContact CH2-CG 4.31Å; W131-K574 HydrophobicContact CZ2-CB 3.58Å; W131-K574 HydrophobicContact CZ2-CD 3.52Å; W131-K574 HydrophobicContact CZ2-CG 4.07Å; W131-K574 HydrophobicContact CZ3-CB 3.82Å; W131-K574 PolarHBondContact NE1-O 3.25Å | ||
| 575 | P | 47.9 | Very low | 55.2 | Low | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 125.5 | -136.1 | 37.2 | -41.7 | 0 | 0 | 0 | 128.3 | Y104 L105 R108 G109 A110 | Y104-P575 HydrophobicContact CD1-CB 4.41Å; Y104-P575 HydrophobicContact CE1-CB 4.4Å; Y104-P575 HydrophobicContact CE1-CG 4.19Å; Y104-P575 WeakPolarHBondContact O-CB 3.23Å; L105-P575 VanDerWaalsContact CA-CB 3.45Å; L105-P575 HydrophobicContact CB-CB 4.25Å; L105-P575 HydrophobicContact CD2-CB 3.82Å; L105-P575 CarbonylContact O-C 3.22Å; L105-P575 VanDerWaalsContact O-CA 3.28Å; L105-P575 WeakPolarHBondContact O-CA 3.23Å; L105-P575 VanDerWaalsContact O-CB 3.23Å; L105-P575 WeakPolarHBondContact O-CB 3.28Å; R108-P575 CarbonylContact C-O 3.41Å; R108-P575 HydrophobicContact CB-CB 4.17Å; R108-P575 HydrophobicContact CB-CG 3.9Å; R108-P575 HydrophobicContact CG-CG 4.49Å; G109-P575 CarbonylContact C-O 3.03Å; G109-P575 PolarHBondContact N-O 3.23Å; A110-P575 WeakPolarHBondContact CA-O 3.39Å; A110-P575 WeakPolarHBondContact CB-O 3.3Å; A110-P575 PolarHBondContact N-O 3.04Å |
| 576 | K | 55.9 | Low | 57.6 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 167.5 | 167.3 | -13.8 | 166.4 | 132.7 | 172.2 | 0 | 119 | L105 E106 A107 R108 G109 L111 Y113 | L105-K576 VanDerWaalsContact C-CG 3.45Å; L105-K576 VanDerWaalsContact C-N 3.25Å; L105-K576 CarbonylContact C-O 2.99Å; L105-K576 HydrophobicContact CB-CG 4.24Å; L105-K576 CarbonylContact O-C 3.44Å; L105-K576 VanDerWaalsContact O-C 3.25Å; L105-K576 WeakPolarHBondContact O-CA 3.27Å; L105-K576 PolarHBondContact O-N 3.21Å; E106-K576 CarbonylContact C-O 3.52Å; E106-K576 HydrophobicContact CB-CD 3.56Å; E106-K576 HydrophobicContact CB-CG 4.27Å; E106-K576 HydrophobicContact CG-CB 4.49Å; E106-K576 HydrophobicContact CG-CD 3.34Å; E106-K576 HydrophobicContact CG-CG 4.35Å; E106-K576 WeakPolarHBondContact OE1-CD 3.46Å; E106-K576 WeakPolarHBondContact OE1-CE 3.18Å; E106-K576 IonicContact OE1-NZ 2.69Å; E106-K576 PolarHBondContact OE1-NZ 3.29Å; E106-K576 WeakPolarHBondContact OE2-CD 3.43Å; E106-K576 IonicContact OE2-NZ 3.15Å; E106-K576 PolarHBondContact OE2-NZ 3.17Å; A107-K576 CarbonylContact C-O 3.58Å; A107-K576 VanDerWaalsContact CA-O 3.27Å; A107-K576 WeakPolarHBondContact CA-O 3.34Å; A107-K576 PolarHBondContact N-O 3.31Å; R108-K576 CarbonylContact C-O 3.55Å; R108-K576 WeakPolarHBondContact CA-O 3.1Å; R108-K576 PolarHBondContact N-O 3.03Å; G109-K576 VanDerWaalsContact C-CA 3.4Å; G109-K576 VanDerWaalsContact CA-C 3.48Å; G109-K576 PolarHBondContact N-O 2.78Å; L111-K576 VanDerWaalsContact CA-CG 3.49Å; L111-K576 HydrophobicContact CB-CB 4.03Å; L111-K576 HydrophobicContact CB-CD 4.37Å; L111-K576 HydrophobicContact CB-CG 3.26Å; L111-K576 HydrophobicContact CD2-CD 3.7Å; L111-K576 HydrophobicContact CD2-CG 3.39Å; L111-K576 HydrophobicContact CG-CD 4.19Å; L111-K576 HydrophobicContact CG-CG 3.57Å; L111-K576 VanDerWaalsContact O-CA 3.27Å; L111-K576 WeakPolarHBondContact O-CA 3.48Å; L111-K576 WeakPolarHBondContact O-CB 3.41Å; L111-K576 WeakPolarHBondContact O-CG 3.36Å; Y113-K576 VanDerWaalsContact CB-NZ 3.3Å; Y113-K576 VanDerWaalsContact N-CE 3.32Å |
| 577 | N | 67.6 | Low | 60 | Low | 49 Ų | 49 | 38.4 Ų | 38.4 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -75.5 | 160.5 | 164.3 | -83.9 | -30.9 | 0 | 0 | 0 | 113.9 | E106 G109 T579 S870 | E106-N577 CarbonylContact C-O 3.57Å; E106-N577 WeakPolarHBondContact CG-O 3.28Å; G109-N577 VanDerWaalsContact CA-CG 3.49Å; G109-N577 VanDerWaalsContact CA-N 3.31Å; G109-N577 WeakPolarHBondContact CA-OD1 3.31Å; G109-N577 PolarHBondContact N-OD1 2.97Å; N577-T579 PolarHBondContact O-N 2.79Å; N577-S870 PolarHBondContact ND2-OG 2.75Å; N577-S870 PolarHBondContact OD1-N 3.15Å |
| 578 | I | 72.8 | Confident | 62.4 | Low | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 121.5 | 163.3 | -73.6 | -174.6 | 0 | 0 | 0 | 107.7 | E106 A107 D582 L583 I864 G868 R869 | E106-I578 VanDerWaalsContact O-CA 3.3Å; E106-I578 WeakPolarHBondContact O-CA 3.06Å; E106-I578 WeakPolarHBondContact O-CG1 3.48Å; E106-I578 PolarHBondContact O-N 2.53Å; A107-I578 HydrophobicContact CB-CD1 4.44Å; A107-I578 HydrophobicContact CB-CG1 3.89Å; I578-D582 HydrophobicContact CG2-CB 3.92Å; I578-L583 HydrophobicContact CG2-CB 3.68Å; I578-L583 HydrophobicContact CG2-CD1 4.26Å; I578-L583 HydrophobicContact CG2-CG 4.45Å; I578-I864 HydrophobicContact CD1-CG2 3.64Å; I578-G868 VanDerWaalsContact CB-O 3.24Å; I578-G868 WeakPolarHBondContact CB-O 3.25Å; I578-G868 WeakPolarHBondContact CG1-O 3.46Å; I578-G868 PolarHBondContact N-O 3.38Å; I578-R869 HydrophobicContact CB-CG 4.19Å; I578-R869 PolarHBondContact O-NH1 3.47Å |
| 579 | T | 78.5 | Confident | 64.8 | Low | 41 Ų | 41 | 40.1 Ų | 40.1 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 160.8 | 172.1 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | E106 N577 A581 D582 L583 | E106-T579 HydrophobicContact CG-CG2 3.95Å; E106-T579 WeakPolarHBondContact OE1-CG2 3.46Å; N577-T579 PolarHBondContact O-N 2.79Å; T579-A581 PolarHBondContact O-N 2.81Å; T579-A581 PolarHBondContact OG1-N 3.46Å; T579-D582 PolarHBondContact O-N 2.83Å; T579-D582 WeakPolarHBondContact OG1-CB 3.35Å; T579-D582 PolarHBondContact OG1-N 3.09Å; T579-D582 PolarHBondContact OG1-OD1 3.18Å; T579-L583 WeakPolarHBondContact O-CB 3.17Å; T579-L583 PolarHBondContact O-N 2.84Å |
| 580 | D | 75.4 | Confident | 67.7 | Low | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.5 | -33.7 | 173.8 | -70.4 | 18.4 | 0 | 0 | 0 | 111.3 | L583 Q584 R869 | D580-L583 PolarHBondContact O-N 2.67Å; D580-Q584 WeakPolarHBondContact O-CB 3.08Å; D580-Q584 PolarHBondContact O-N 2.84Å; D580-R869 IonicContact OD1-CZ 3.89Å; D580-R869 IonicContact OD1-NH1 2.81Å; D580-R869 PolarHBondContact OD1-NH1 2.61Å; D580-R869 IonicContact OD1-NH2 2.65Å; D580-R869 PolarHBondContact OD1-NH2 2.74Å |
| 581 | A | 75.9 | Confident | 70.5 | Confident | 71 Ų | 71 | 36.8 Ų | 36.8 | 59% | 0.587 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -73.1 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T579 L583 Q584 E585 | T579-A581 PolarHBondContact O-N 2.81Å; T579-A581 PolarHBondContact OG1-N 3.46Å; A581-L583 PolarHBondContact O-N 3.48Å; A581-Q584 WeakPolarHBondContact O-CB 3.29Å; A581-Q584 PolarHBondContact O-N 3.11Å; A581-E585 PolarHBondContact O-N 3.19Å |
| 582 | D | 80.9 | Confident | 73.4 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -38.2 | 170.3 | -93 | 79.9 | 0 | 0 | 0 | 112 | E106 I578 T579 I586 R685 | E106-D582 VanDerWaalsContact CG-OD1 3.25Å; E106-D582 WeakPolarHBondContact CG-OD1 3.42Å; E106-D582 WeakPolarHBondContact CG-OD2 3.42Å; I578-D582 HydrophobicContact CG2-CB 3.92Å; T579-D582 PolarHBondContact O-N 2.83Å; T579-D582 WeakPolarHBondContact OG1-CB 3.35Å; T579-D582 PolarHBondContact OG1-N 3.09Å; T579-D582 PolarHBondContact OG1-OD1 3.18Å; D582-I586 WeakPolarHBondContact O-CB 2.99Å; D582-I586 WeakPolarHBondContact O-CD1 3.38Å; D582-I586 VanDerWaalsContact O-CG1 3.22Å; D582-I586 WeakPolarHBondContact O-CG1 3.02Å; D582-I586 PolarHBondContact O-N 3.37Å; D582-R685 IonicContact OD2-CZ 2.83Å; D582-R685 VanDerWaalsContact OD2-CZ 3.24Å; D582-R685 IonicContact OD2-NH1 3.4Å; D582-R685 PolarHBondContact OD2-NH1 3.3Å; D582-R685 IonicContact OD2-NH2 3.6Å; D582-R685 PolarHBondContact OD2-NH2 2.7Å |
| 583 | L | 83.8 | Confident | 76 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71 | -40.2 | 179 | -172 | 58.9 | 0 | 0 | 0 | 110.6 | I578 T579 D580 A581 I586 I587 I864 C874 F876 | I578-L583 HydrophobicContact CG2-CB 3.68Å; I578-L583 HydrophobicContact CG2-CD1 4.26Å; I578-L583 HydrophobicContact CG2-CG 4.45Å; T579-L583 WeakPolarHBondContact O-CB 3.17Å; T579-L583 PolarHBondContact O-N 2.84Å; D580-L583 PolarHBondContact O-N 2.67Å; A581-L583 PolarHBondContact O-N 3.48Å; L583-I586 PolarHBondContact O-N 2.78Å; L583-I587 HydrophobicContact CD1-CD1 3.78Å; L583-I587 HydrophobicContact CD1-CG1 4.33Å; L583-I587 HydrophobicContact CG-CD1 3.72Å; L583-I587 WeakPolarHBondContact O-CB 3.05Å; L583-I587 VanDerWaalsContact O-CG1 3.25Å; L583-I587 WeakPolarHBondContact O-CG1 3.24Å; L583-I587 PolarHBondContact O-N 3.1Å; L583-I864 HydrophobicContact CD1-CG2 3.55Å; L583-C874 HydrophobicContact CD2-CB 3.6Å; L583-C874 WeakPolarHBondContact CD2-SG 3.5Å; L583-F876 HydrophobicContact CD2-CB 4.24Å; L583-F876 HydrophobicContact CD2-CD1 3.74Å; L583-F876 HydrophobicContact CD2-CG 4.42Å; L583-F876 HydrophobicContact CG-CB 4.21Å; L583-F876 HydrophobicContact CG-CD1 4.22Å |
| 584 | Q | 86.3 | Confident | 78.7 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -56.7 | 176.9 | -169.1 | 58.1 | 35.2 | 0 | 0 | 112 | D580 A581 I586 I587 E588 M877 | D580-Q584 WeakPolarHBondContact O-CB 3.08Å; D580-Q584 PolarHBondContact O-N 2.84Å; A581-Q584 WeakPolarHBondContact O-CB 3.29Å; A581-Q584 PolarHBondContact O-N 3.11Å; Q584-I586 PolarHBondContact O-N 3.16Å; Q584-I587 PolarHBondContact O-N 2.82Å; Q584-E588 VanDerWaalsContact CG-OE1 3.26Å; Q584-E588 WeakPolarHBondContact CG-OE1 3.28Å; Q584-E588 PolarHBondContact NE2-OE1 2.86Å; Q584-E588 WeakPolarHBondContact O-CG 3.18Å; Q584-E588 PolarHBondContact O-N 2.81Å; Q584-M877 PolarHBondContact NE2-O 3.36Å; Q584-M877 PolarHBondContact OE1-O 3.19Å |
| 585 | E | 84.7 | Confident | 81.1 | Confident | 108 Ų | 108 | 46.1 Ų | 46.1 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.8 | -40.5 | 179 | -171.6 | -158.5 | 149.2 | 0 | 0 | 111.4 | A581 L589 | A581-E585 PolarHBondContact O-N 3.19Å; E585-L589 HydrophobicContact CG-CD1 4.17Å; E585-L589 WeakPolarHBondContact O-CB 3.29Å; E585-L589 WeakPolarHBondContact O-CD1 3.19Å; E585-L589 WeakPolarHBondContact O-CG 3.06Å; E585-L589 PolarHBondContact O-N 3.11Å; E585-L589 VanDerWaalsContact O-N 3.11Å |
| 586 | I | 86.9 | Confident | 83.1 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | 178.9 | -73.7 | 171.8 | 0 | 0 | 0 | 112 | D582 L583 Q584 M590 V681 I864 | D582-I586 WeakPolarHBondContact O-CB 2.99Å; D582-I586 WeakPolarHBondContact O-CD1 3.38Å; D582-I586 VanDerWaalsContact O-CG1 3.22Å; D582-I586 WeakPolarHBondContact O-CG1 3.02Å; D582-I586 PolarHBondContact O-N 3.37Å; L583-I586 PolarHBondContact O-N 2.78Å; Q584-I586 PolarHBondContact O-N 3.16Å; I586-M590 HydrophobicContact CG2-CE 4.24Å; I586-M590 HydrophobicContact CG2-SD 4.16Å; I586-M590 WeakPolarHBondContact O-CB 3.17Å; I586-M590 VanDerWaalsContact O-CG 3.25Å; I586-M590 WeakPolarHBondContact O-CG 3.12Å; I586-M590 PolarHBondContact O-N 3.44Å; I586-M590 VanDerWaalsContact O-N 3.09Å; I586-V681 HydrophobicContact CD1-CG1 3.89Å; I586-V681 HydrophobicContact CD1-CG2 3.83Å; I586-V681 HydrophobicContact CG1-CG2 3.98Å; I586-V681 HydrophobicContact CG2-CG2 3.89Å; I586-I864 HydrophobicContact CG2-CD1 3.55Å |
| 587 | I | 87.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.1 | -41.7 | -177.6 | -73.1 | 172.9 | 0 | 0 | 0 | 110.9 | L583 Q584 L589 M590 E591 F857 L861 F876 L878 | L583-I587 HydrophobicContact CD1-CD1 3.78Å; L583-I587 HydrophobicContact CD1-CG1 4.33Å; L583-I587 HydrophobicContact CG-CD1 3.72Å; L583-I587 WeakPolarHBondContact O-CB 3.05Å; L583-I587 VanDerWaalsContact O-CG1 3.25Å; L583-I587 WeakPolarHBondContact O-CG1 3.24Å; L583-I587 PolarHBondContact O-N 3.1Å; Q584-I587 PolarHBondContact O-N 2.82Å; I587-L589 PolarHBondContact O-N 3.39Å; I587-M590 CarbonylContact O-C 3.47Å; I587-M590 WeakPolarHBondContact O-CA 3.17Å; I587-M590 WeakPolarHBondContact O-CB 3.03Å; I587-M590 PolarHBondContact O-N 3Å; I587-E591 WeakPolarHBondContact O-CB 3.37Å; I587-E591 PolarHBondContact O-N 3.06Å; I587-F857 HydrophobicContact CG2-CZ 4.21Å; I587-L861 HydrophobicContact CD1-CD1 3.39Å; I587-L861 HydrophobicContact CG1-CD1 3.93Å; I587-F876 HydrophobicContact CD1-CB 3.75Å; I587-F876 HydrophobicContact CD1-CD1 3.56Å; I587-F876 HydrophobicContact CD1-CD2 3.41Å; I587-F876 VanDerWaalsContact CD1-CD2 3.41Å; I587-F876 HydrophobicContact CD1-CE1 3.94Å; I587-F876 HydrophobicContact CD1-CE2 3.81Å; I587-F876 HydrophobicContact CD1-CG 3.28Å; I587-F876 HydrophobicContact CD1-CZ 4.07Å; I587-F876 HydrophobicContact CG2-CD2 4.12Å; I587-F876 HydrophobicContact CG2-CE2 4.49Å; I587-L878 HydrophobicContact CG2-CD1 4.12Å |
| 588 | E | 88.6 | Confident | 85.8 | Confident | 97 Ų | 97 | 47 Ų | 47 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 172.2 | -71 | 167.3 | -178.5 | 0 | 0 | 111.3 | Q584 M590 E591 E592 | Q584-E588 VanDerWaalsContact CG-OE1 3.26Å; Q584-E588 WeakPolarHBondContact CG-OE1 3.28Å; Q584-E588 PolarHBondContact NE2-OE1 2.86Å; Q584-E588 WeakPolarHBondContact O-CG 3.18Å; Q584-E588 PolarHBondContact O-N 2.81Å; E588-M590 PolarHBondContact O-N 2.67Å; E588-E591 PolarHBondContact O-N 2.87Å; E588-E592 PolarHBondContact O-N 2.64Å |
| 589 | L | 90.2 | Very high | 86.4 | Confident | 69 Ų | 69 | 48 Ų | 48 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -27.3 | 174.8 | -72.4 | 171.9 | 0 | 0 | 0 | 113.1 | E585 I587 A593 L677 | E585-L589 HydrophobicContact CG-CD1 4.17Å; E585-L589 WeakPolarHBondContact O-CB 3.29Å; E585-L589 WeakPolarHBondContact O-CD1 3.19Å; E585-L589 WeakPolarHBondContact O-CG 3.06Å; E585-L589 PolarHBondContact O-N 3.11Å; E585-L589 VanDerWaalsContact O-N 3.11Å; I587-L589 PolarHBondContact O-N 3.39Å; L589-A593 VanDerWaalsContact O-CB 3.23Å; L589-A593 WeakPolarHBondContact O-CB 3.38Å; L589-A593 PolarHBondContact O-N 3.31Å; L589-L677 HydrophobicContact CB-CD1 4.25Å; L589-L677 WeakPolarHBondContact O-CD1 3.27Å |
| 590 | M | 91.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.4 | -35.5 | 174.7 | -77.7 | -178.4 | 170.8 | 0 | 0 | 112.6 | I586 I587 E588 A593 D594 V674 L677 L678 F857 A860 I864 | I586-M590 HydrophobicContact CG2-CE 4.24Å; I586-M590 HydrophobicContact CG2-SD 4.16Å; I586-M590 WeakPolarHBondContact O-CB 3.17Å; I586-M590 VanDerWaalsContact O-CG 3.25Å; I586-M590 WeakPolarHBondContact O-CG 3.12Å; I586-M590 PolarHBondContact O-N 3.44Å; I586-M590 VanDerWaalsContact O-N 3.09Å; I587-M590 CarbonylContact O-C 3.47Å; I587-M590 WeakPolarHBondContact O-CA 3.17Å; I587-M590 WeakPolarHBondContact O-CB 3.03Å; I587-M590 PolarHBondContact O-N 3Å; E588-M590 PolarHBondContact O-N 2.67Å; M590-A593 CarbonylContact O-C 3.47Å; M590-A593 WeakPolarHBondContact O-CA 3.39Å; M590-A593 WeakPolarHBondContact O-CB 3.34Å; M590-A593 PolarHBondContact O-N 3.45Å; M590-D594 PolarHBondContact O-N 2.86Å; M590-V674 HydrophobicContact CB-CG1 4.4Å; M590-V674 HydrophobicContact CG-CG1 4.24Å; M590-V674 HydrophobicContact SD-CG1 4.4Å; M590-L677 HydrophobicContact CE-CB 4.03Å; M590-L677 HydrophobicContact CG-CB 4.33Å; M590-L677 HydrophobicContact CG-CD1 4.36Å; M590-L678 VanDerWaalsContact CE-CA 3.47Å; M590-L678 HydrophobicContact CE-CB 3.79Å; M590-L678 HydrophobicContact CE-CD1 4.3Å; M590-L678 VanDerWaalsContact CE-N 3.28Å; M590-F857 HydrophobicContact CB-CD2 4.01Å; M590-F857 HydrophobicContact CB-CE2 3.73Å; M590-A860 HydrophobicContact CE-CB 3.93Å; M590-A860 HydrophobicContact SD-CB 3.81Å; M590-I864 HydrophobicContact CE-CD1 3.54Å; M590-I864 HydrophobicContact SD-CD1 3.7Å |
| 591 | E | 88.5 | Confident | 86.2 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 175.1 | -168.2 | 169.7 | -167.4 | 0 | 0 | 110 | I587 E588 A593 D594 F857 L878 | I587-E591 WeakPolarHBondContact O-CB 3.37Å; I587-E591 PolarHBondContact O-N 3.06Å; E588-E591 PolarHBondContact O-N 2.87Å; E591-A593 PolarHBondContact O-N 3.45Å; E591-A593 VanDerWaalsContact O-N 3.12Å; E591-D594 PolarHBondContact O-N 2.64Å; E591-F857 HydrophobicContact CB-CE2 4.39Å; E591-L878 HydrophobicContact CG-CD1 4.46Å |
| 592 | E | 88.3 | Confident | 86.7 | Confident | 136 Ų | 136 | 52 Ų | 52 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.6 | 168.8 | -72.4 | -161.6 | 162.4 | 0 | 0 | 114.5 | E588 R673 | E588-E592 PolarHBondContact O-N 2.64Å; E592-R673 PolarHBondContact O-NH1 3.39Å |
| 593 | A | 91 | Very high | 86.9 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -19.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L589 M590 E591 I595 R673 V674 L677 | L589-A593 VanDerWaalsContact O-CB 3.23Å; L589-A593 WeakPolarHBondContact O-CB 3.38Å; L589-A593 PolarHBondContact O-N 3.31Å; M590-A593 CarbonylContact O-C 3.47Å; M590-A593 WeakPolarHBondContact O-CA 3.39Å; M590-A593 WeakPolarHBondContact O-CB 3.34Å; M590-A593 PolarHBondContact O-N 3.45Å; E591-A593 PolarHBondContact O-N 3.45Å; E591-A593 VanDerWaalsContact O-N 3.12Å; A593-I595 VanDerWaalsContact C-N 3.27Å; A593-I595 PolarHBondContact O-N 2.76Å; A593-R673 HydrophobicContact CB-CB 3.82Å; A593-V674 HydrophobicContact CB-CG2 4.04Å; A593-L677 HydrophobicContact CB-CD1 3.55Å |
| 594 | D | 91.7 | Very high | 87.1 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | trans | -82.8 | 70.4 | -177.9 | -166.3 | 1.4 | 0 | 0 | 0 | 112.3 | M590 E591 N596 A597 V674 T854 F857 | M590-D594 PolarHBondContact O-N 2.86Å; E591-D594 PolarHBondContact O-N 2.64Å; D594-N596 PolarHBondContact O-N 3.37Å; D594-N596 VanDerWaalsContact O-N 3.08Å; D594-N596 PolarHBondContact OD1-N 2.71Å; D594-N596 VanDerWaalsContact OD1-N 3.11Å; D594-A597 HydrophobicContact CB-CB 4.47Å; D594-A597 WeakPolarHBondContact O-CB 3.27Å; D594-A597 PolarHBondContact O-N 3.32Å; D594-A597 PolarHBondContact OD1-N 2.52Å; D594-V674 HydrophobicContact CB-CG2 3.71Å; D594-T854 VanDerWaalsContact CG-OG1 3.22Å; D594-T854 WeakPolarHBondContact OD1-CG2 3.46Å; D594-T854 PolarHBondContact OD1-OG1 3.02Å; D594-T854 WeakPolarHBondContact OD2-CB 3.2Å; D594-T854 WeakPolarHBondContact OD2-CG2 2.92Å; D594-T854 PolarHBondContact OD2-N 2.57Å; D594-T854 PolarHBondContact OD2-OG1 2.74Å; D594-F857 HydrophobicContact CB-CD2 4.29Å; D594-F857 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 595 | I | 88.8 | Confident | 87.1 | Confident | 127 Ų | 127 | 54.6 Ų | 54.6 | 65% | 0.651 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.5 | 173.1 | 64.4 | 172.8 | 0 | 0 | 0 | 113.7 | A593 | A593-I595 VanDerWaalsContact C-N 3.27Å; A593-I595 PolarHBondContact O-N 2.76Å |
| 596 | N | 90.4 | Very high | 87.2 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -9.9 | -177.7 | -74.9 | -20 | 0 | 0 | 0 | 112.7 | D594 Y628 K631 T633 T854 E856 | D594-N596 PolarHBondContact O-N 3.37Å; D594-N596 VanDerWaalsContact O-N 3.08Å; D594-N596 PolarHBondContact OD1-N 2.71Å; D594-N596 VanDerWaalsContact OD1-N 3.11Å; N596-Y628 VanDerWaalsContact O-CE2 3.32Å; N596-Y628 WeakPolarHBondContact O-CE2 3.07Å; N596-K631 WeakPolarHBondContact O-CD 3.19Å; N596-K631 PolarHBondContact O-NZ 2.72Å; N596-T633 PolarHBondContact ND2-OG1 3.5Å; N596-T854 HydrophobicContact CB-CG2 3.7Å; N596-T854 WeakPolarHBondContact O-CG2 3.09Å; N596-E856 PolarHBondContact ND2-OE1 3.44Å |
| 597 | A | 91.2 | Very high | 87 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -51.7 | 158.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D594 G599 K631 T854 | D594-A597 HydrophobicContact CB-CB 4.47Å; D594-A597 WeakPolarHBondContact O-CB 3.27Å; D594-A597 PolarHBondContact O-N 3.32Å; D594-A597 PolarHBondContact OD1-N 2.52Å; A597-G599 PolarHBondContact O-N 2.99Å; A597-K631 PolarHBondContact O-NZ 2.93Å; A597-T854 HydrophobicContact CB-CG2 4.49Å; A597-T854 VanDerWaalsContact N-CG2 3.33Å |
| 598 | A | 89 | Confident | 86.9 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -86.1 | 109.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D602 A603 Y628 W739 R852 | A598-D602 HydrophobicContact CB-CB 3.77Å; A598-A603 HydrophobicContact CB-CB 4.37Å; A598-Y628 HydrophobicContact CB-CD2 3.88Å; A598-Y628 HydrophobicContact CB-CE2 3.5Å; A598-Y628 VanDerWaalsContact CB-CE2 3.5Å; A598-W739 HydrophobicContact CB-CH2 3.8Å; A598-W739 HydrophobicContact CB-CZ2 3.75Å; A598-R852 HydrophobicContact CB-CB 4.15Å; A598-R852 HydrophobicContact CB-CG 4.42Å; A598-R852 PolarHBondContact N-O 2.79Å; A598-R852 WeakPolarHBondContact O-CB 3.3Å; A598-R852 WeakPolarHBondContact O-CD 3.33Å | ||
| 599 | G | 84.1 | Confident | 86.3 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | trans | -62.5 | 170.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A597 N601 D602 R852 | A597-G599 PolarHBondContact O-N 2.99Å; G599-N601 PolarHBondContact O-N 2.81Å; G599-D602 PolarHBondContact N-OD2 2.95Å; G599-D602 WeakPolarHBondContact O-CB 3.2Å; G599-D602 PolarHBondContact O-N 3.35Å; G599-R852 PolarHBondContact O-NH1 3.07Å | ||
| 600 | P | 72.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.5 | 175.8 | -29 | 36.7 | 0 | 0 | 0 | 113.9 | L604 | P600-L604 WeakPolarHBondContact O-CD2 3.38Š|
| 601 | N | 77.9 | Confident | 85 | Confident | 143 Ų | 143 | 55.1 Ų | 55.1 | 77% | 0.765 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1.3 | 178.6 | -57.8 | 0.5 | 0 | 0 | 0 | 113.9 | G599 F623 | G599-N601 PolarHBondContact O-N 2.81Å; N601-F623 WeakPolarHBondContact O-CE1 3.4Å |
| 602 | D | 86.5 | Confident | 84.4 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -23.7 | 176.8 | -79.5 | -34.5 | 0 | 0 | 0 | 112.9 | A598 G599 I624 S625 Y628 K631 | A598-D602 HydrophobicContact CB-CB 3.77Å; G599-D602 PolarHBondContact N-OD2 2.95Å; G599-D602 WeakPolarHBondContact O-CB 3.2Å; G599-D602 PolarHBondContact O-N 3.35Å; D602-I624 CarbonylContact O-C 3.5Å; D602-I624 WeakPolarHBondContact O-CA 3.46Å; D602-S625 PolarHBondContact O-N 2.99Å; D602-S625 PolarHBondContact OD1-OG 3.45Å; D602-Y628 HydrophobicContact CB-CD2 3.9Å; D602-Y628 HydrophobicContact CB-CG 4.2Å; D602-K631 IonicContact OD2-NZ 3.28Å |
| 603 | A | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 146.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | A598 F605 F623 W739 R852 | A598-A603 HydrophobicContact CB-CB 4.37Å; A603-F605 HydrophobicContact CB-CE2 4.34Å; A603-F605 HydrophobicContact CB-CZ 4.18Å; A603-F623 CarbonylContact C-O 3.45Å; A603-F623 VanDerWaalsContact CA-O 3.26Å; A603-F623 WeakPolarHBondContact CA-O 3.46Å; A603-W739 HydrophobicContact CB-CH2 3.76Å; A603-W739 HydrophobicContact CB-CZ3 3.7Å; A603-R852 VanDerWaalsContact O-CZ 3.31Å; A603-R852 PolarHBondContact O-NH1 3.04Å; A603-R852 PolarHBondContact O-NH2 3.02Å |
| 604 | L | 87 | Confident | 82 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.8 | 175.3 | -59.8 | 175 | 0 | 0 | 0 | 111 | P600 T622 F623 | P600-L604 WeakPolarHBondContact O-CD2 3.38Å; L604-T622 PolarHBondContact O-N 3.26Å; L604-T622 VanDerWaalsContact O-N 3.14Å; L604-F623 HydrophobicContact CB-CB 4.05Å; L604-F623 HydrophobicContact CD1-CB 4.05Å; L604-F623 HydrophobicContact CG-CB 4.13Å; L604-F623 HydrophobicContact CG-CD1 4.36Å; L604-F623 PolarHBondContact N-O 2.98Å |
| 605 | F | 86.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.6 | -175 | -55 | -80.5 | 0 | 0 | 0 | 110.8 | A603 F620 V621 W739 L851 R852 | A603-F605 HydrophobicContact CB-CE2 4.34Å; A603-F605 HydrophobicContact CB-CZ 4.18Å; F605-F620 CarbonylContact C-O 3.59Å; F605-F620 WeakPolarHBondContact CA-O 3.44Å; F605-F620 HydrophobicContact CB-CE2 4.29Å; F605-F620 HydrophobicContact CB-CZ 4.19Å; F605-F620 HydrophobicContact CD1-CD1 4.27Å; F605-F620 AromaticContact CD1-CE1 3.71Å; F605-F620 HydrophobicContact CD1-CE1 3.71Å; F605-F620 AromaticContact CD1-CZ 3.98Å; F605-F620 HydrophobicContact CD1-CZ 3.98Å; F605-F620 HydrophobicContact CE1-CE1 4.35Å; F605-F620 HydrophobicContact CG-CZ 4.37Å; F605-V621 HydrophobicContact CD1-CG2 4.01Å; F605-V621 HydrophobicContact CE1-CG1 4.35Å; F605-V621 HydrophobicContact CE1-CG2 3.96Å; F605-W739 AromaticContact CE1-CE3 3.96Å; F605-W739 HydrophobicContact CE1-CE3 3.96Å; F605-W739 HydrophobicContact CE1-CZ3 4.46Å; F605-W739 HydrophobicContact CZ-CD2 4.33Å; F605-W739 AromaticContact CZ-CE3 3.83Å; F605-W739 HydrophobicContact CZ-CE3 3.83Å; F605-W739 HydrophobicContact CZ-CZ3 4.1Å; F605-L851 HydrophobicContact CD1-CD1 4.28Å; F605-L851 HydrophobicContact CD1-CD2 4.32Å; F605-L851 HydrophobicContact CD2-CD1 4Å; F605-L851 HydrophobicContact CE1-CD1 4.41Å; F605-L851 HydrophobicContact CE1-CD2 3.91Å; F605-L851 HydrophobicContact CE2-CB 4.2Å; F605-L851 HydrophobicContact CE2-CD1 4.14Å; F605-L851 HydrophobicContact CG-CD1 4.08Å; F605-L851 HydrophobicContact CZ-CB 4.16Å; F605-L851 HydrophobicContact CZ-CD1 4.35Å; F605-L851 HydrophobicContact CZ-CD2 4.13Å; F605-L851 HydrophobicContact CZ-CG 4.45Å; F605-R852 HydrophobicContact CE2-CG 4.06Å |
| 606 | N | 86.9 | Confident | 80.7 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -114.5 | 104.8 | 174.3 | -175.4 | 2.5 | 0 | 0 | 0 | 110.7 | Q608 E618 F620 T622 | N606-Q608 VanDerWaalsContact C-N 3.34Å; N606-Q608 HydrophobicContact CB-CG 4.37Å; N606-Q608 VanDerWaalsContact CG-CG 3.43Å; N606-Q608 WeakPolarHBondContact ND2-CG 3.34Å; N606-Q608 PolarHBondContact O-N 3.38Å; N606-Q608 VanDerWaalsContact OD1-CG 3.28Å; N606-Q608 WeakPolarHBondContact OD1-CG 3.41Å; N606-Q608 PolarHBondContact OD1-N 3.46Å; N606-Q608 VanDerWaalsContact OD1-N 3.09Å; N606-E618 PolarHBondContact ND2-OE2 2.02Å; N606-F620 PolarHBondContact N-O 3.26Å; N606-T622 HydrophobicContact CB-CG2 3.53Å | ||
| 607 | Y | 82.8 | Confident | 80.5 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | trans | -69.7 | -26.4 | -179.7 | -72.8 | -88.4 | 0 | 0 | 0 | 113.7 | Q609 F620 Y753 Y756 A833 L851 | Y607-Q609 PolarHBondContact O-N 3.42Å; Y607-F620 AromaticContact CD1-CE2 3.82Å; Y607-F620 HydrophobicContact CD1-CE2 3.82Å; Y607-F620 AromaticContact CE1-CE2 3.84Å; Y607-F620 HydrophobicContact CE1-CE2 3.84Å; Y607-F620 HydrophobicContact CE1-CZ 4.19Å; Y607-F620 HydrophobicContact CG-CE2 4.2Å; Y607-Y753 PolarHBondContact O-OH 2.81Å; Y607-Y756 HydrophobicContact CD1-CD2 4.39Å; Y607-Y756 HydrophobicContact CD1-CG 4.05Å; Y607-Y756 WeakPolarHBondContact O-CD1 3.32Å; Y607-A833 HydrophobicContact CE1-CB 3.8Å; Y607-L851 WeakPolarHBondContact OH-CD1 3.24Å | ||
| 608 | Q | 85.4 | Confident | 80.4 | Confident | 42 Ų | 42 | 65 Ų | 65 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | trans | 50.1 | -134.7 | -179.6 | -55.5 | 169 | 57.5 | 0 | 0 | 112.6 | N606 A616 P617 E618 R619 Y753 Y756 | N606-Q608 VanDerWaalsContact C-N 3.34Å; N606-Q608 HydrophobicContact CB-CG 4.37Å; N606-Q608 VanDerWaalsContact CG-CG 3.43Å; N606-Q608 WeakPolarHBondContact ND2-CG 3.34Å; N606-Q608 PolarHBondContact O-N 3.38Å; N606-Q608 VanDerWaalsContact OD1-CG 3.28Å; N606-Q608 WeakPolarHBondContact OD1-CG 3.41Å; N606-Q608 PolarHBondContact OD1-N 3.46Å; N606-Q608 VanDerWaalsContact OD1-N 3.09Å; Q608-A616 HydrophobicContact CB-CB 4.15Å; Q608-P617 VanDerWaalsContact OE1-CD 3.23Å; Q608-P617 VanDerWaalsContact OE1-N 3.09Å; Q608-E618 PolarHBondContact NE2-O 3.11Å; Q608-R619 PolarHBondContact NE2-O 2.74Å; Q608-Y753 HydrophobicContact CB-CE1 4.34Å; Q608-Y753 HydrophobicContact CG-CE1 4.41Å; Q608-Y753 VanDerWaalsContact NE2-CD1 3.34Å; Q608-Y756 WeakPolarHBondContact O-CE1 3.45Å | ||
| 609 | Q | 75.9 | Confident | 80.6 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 46% | 0.458 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -86.3 | 154 | -175.7 | -56.6 | -165.9 | 13.3 | 0 | 0 | 113.2 | Y607 S611 G614 N615 G755 Y756 | Y607-Q609 PolarHBondContact O-N 3.42Å; Q609-S611 PolarHBondContact O-N 3.15Å; Q609-G614 VanDerWaalsContact OE1-CA 3.25Å; Q609-N615 VanDerWaalsContact CD-O 3.31Å; Q609-N615 WeakPolarHBondContact CG-O 3.38Å; Q609-G755 WeakPolarHBondContact O-CA 3.33Å; Q609-Y756 WeakPolarHBondContact O-CD1 3.42Å; Q609-Y756 PolarHBondContact O-N 3.05Å; Q609-Y756 VanDerWaalsContact O-N 3.15Å |
| 610 | R | 78.9 | Confident | 81 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 21% | 0.208 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 131.1 | 171.1 | -70.2 | 178.8 | 176.3 | 166 | -5.2 | 110.1 | G612 K613 Y756 E822 | R610-G612 PolarHBondContact O-N 2.92Å; R610-K613 HydrophobicContact CB-CB 4.41Å; R610-K613 HydrophobicContact CB-CD 4.44Å; R610-K613 HydrophobicContact CB-CG 4.38Å; R610-K613 WeakPolarHBondContact O-CB 3.49Å; R610-K613 PolarHBondContact O-N 2.82Å; R610-Y756 CarbonylContact C-O 3.5Å; R610-Y756 WeakPolarHBondContact CA-O 3.08Å; R610-Y756 HydrophobicContact CB-CE1 4.44Å; R610-Y756 HydrophobicContact CG-CD1 4.19Å; R610-Y756 HydrophobicContact CG-CE1 3.53Å; R610-Y756 HydrophobicContact CG-CE2 3.9Å; R610-Y756 WeakPolarHBondContact CG-OH 3.1Å; R610-Y756 PolarHBondContact NE-OH 2.81Å; R610-E822 VanDerWaalsContact CZ-CD 3.45Å; R610-E822 IonicContact CZ-OE1 2.72Å; R610-E822 VanDerWaalsContact CZ-OE1 3.26Å; R610-E822 IonicContact CZ-OE2 3.2Å; R610-E822 IonicContact NH1-OE1 2.73Å; R610-E822 PolarHBondContact NH1-OE1 2.89Å; R610-E822 IonicContact NH1-OE2 2.75Å; R610-E822 PolarHBondContact NH1-OE2 3.44Å; R610-E822 IonicContact NH2-OE1 2.71Å; R610-E822 PolarHBondContact NH2-OE1 3.37Å; R610-E822 IonicContact NH2-OE2 2.88Å; R610-E822 PolarHBondContact NH2-OE2 2.85Å |
| 611 | S | 76.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -58.1 | 127.9 | -179 | -157 | 0 | 0 | 0 | 0 | 111 | Q609 K754 Y756 K836 | Q609-S611 PolarHBondContact O-N 3.15Å; S611-K754 WeakPolarHBondContact CB-O 3Å; S611-K754 PolarHBondContact OG-O 3.27Å; S611-Y756 PolarHBondContact N-O 3.29Å; S611-K836 WeakPolarHBondContact OG-CB 3.23Å; S611-K836 WeakPolarHBondContact OG-CD 3.15Å |
| 612 | G | 74.3 | Confident | 82.4 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 81% | 0.814 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -3.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R610 | R610-G612 PolarHBondContact O-N 2.92Š|
| 613 | K | 66.7 | Low | 82.5 | Confident | 166 Ų | 166 | 65.3 Ų | 65.3 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -13.3 | 166.5 | -72.1 | -159.7 | 168.7 | -162.1 | 0 | 114.1 | R610 | R610-K613 HydrophobicContact CB-CB 4.41Å; R610-K613 HydrophobicContact CB-CD 4.44Å; R610-K613 HydrophobicContact CB-CG 4.38Å; R610-K613 WeakPolarHBondContact O-CB 3.49Å; R610-K613 PolarHBondContact O-N 2.82Å |
| 614 | G | 63.9 | Low | 82.6 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | 167.8 | -160.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q609 | Q609-G614 VanDerWaalsContact OE1-CA 3.25Å |
| 615 | N | 68.6 | Low | 82.8 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | trans | -92.1 | 153.9 | -177.1 | -70.2 | -18 | 0 | 0 | 0 | 112 | Q609 | Q609-N615 VanDerWaalsContact CD-O 3.31Å; Q609-N615 WeakPolarHBondContact CG-O 3.38Å | ||
| 616 | A | 83.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 5% | 0.05 | 36% | 0.363 | C | S | . | . | trans | -115.2 | 96.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q608 Y753 | Q608-A616 HydrophobicContact CB-CB 4.15Å; A616-Y753 HydrophobicContact CB-CD1 3.67Å; A616-Y753 HydrophobicContact CB-CE1 3.71Å; A616-Y753 HydrophobicContact CB-CG 4.4Å | ||
| 617 | P | 86.2 | Confident | 83 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 75% | 0.747 | 38% | 0.376 | S | S | * | . | trans | -83.4 | -15.1 | -175.1 | 32.5 | -36.3 | 0 | 0 | 0 | 114.6 | Q608 | Q608-P617 VanDerWaalsContact OE1-CD 3.23Å; Q608-P617 VanDerWaalsContact OE1-N 3.09Å | ||
| 618 | E | 89.5 | Confident | 83.3 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -99.8 | 172.9 | 179.9 | -60.7 | 178.8 | -167.8 | 0 | 0 | 112 | N606 Q608 | N606-E618 PolarHBondContact ND2-OE2 2.02Å; Q608-E618 PolarHBondContact NE2-O 3.11Å |
| 619 | R | 91.8 | Very high | 83.5 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | trans | -67.1 | 145.1 | 171.2 | -66.9 | -174.9 | 163.5 | 155.3 | -2.5 | 111.7 | Q608 E746 A747 | Q608-R619 PolarHBondContact NE2-O 2.74Å; R619-E746 WeakPolarHBondContact CA-OE1 3.5Å; R619-E746 HydrophobicContact CB-CG 3.99Å; R619-E746 HydrophobicContact CG-CG 3.73Å; R619-E746 PolarHBondContact NE-O 3.11Å; R619-E746 PolarHBondContact NH2-O 3.19Å; R619-A747 VanDerWaalsContact NH2-C 3.29Å; R619-A747 PolarHBondContact NH2-O 3.4Å | ||
| 620 | F | 92.5 | Very high | 84.2 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -72.2 | -37.5 | 168.5 | 175.4 | -110.9 | 0 | 0 | 0 | 111.5 | F605 N606 Y607 F742 E746 Y753 A833 I835 L851 | F605-F620 CarbonylContact C-O 3.59Å; F605-F620 WeakPolarHBondContact CA-O 3.44Å; F605-F620 HydrophobicContact CB-CE2 4.29Å; F605-F620 HydrophobicContact CB-CZ 4.19Å; F605-F620 HydrophobicContact CD1-CD1 4.27Å; F605-F620 AromaticContact CD1-CE1 3.71Å; F605-F620 HydrophobicContact CD1-CE1 3.71Å; F605-F620 AromaticContact CD1-CZ 3.98Å; F605-F620 HydrophobicContact CD1-CZ 3.98Å; F605-F620 HydrophobicContact CE1-CE1 4.35Å; F605-F620 HydrophobicContact CG-CZ 4.37Å; N606-F620 PolarHBondContact N-O 3.26Å; Y607-F620 AromaticContact CD1-CE2 3.82Å; Y607-F620 HydrophobicContact CD1-CE2 3.82Å; Y607-F620 AromaticContact CE1-CE2 3.84Å; Y607-F620 HydrophobicContact CE1-CE2 3.84Å; Y607-F620 HydrophobicContact CE1-CZ 4.19Å; Y607-F620 HydrophobicContact CG-CE2 4.2Å; F620-F742 HydrophobicContact CB-CE1 3.99Å; F620-F742 HydrophobicContact CB-CZ 4.39Å; F620-F742 HydrophobicContact CD1-CD1 4.41Å; F620-F742 AromaticContact CD1-CE1 3.94Å; F620-F742 HydrophobicContact CD1-CE1 3.94Å; F620-F742 HydrophobicContact CG-CE1 4.43Å; F620-E746 VanDerWaalsContact N-CD 3.3Å; F620-E746 PolarHBondContact N-OE1 3.23Å; F620-E746 PolarHBondContact N-OE2 2.94Å; F620-Y753 HydrophobicContact CB-CD1 3.81Å; F620-Y753 HydrophobicContact CB-CD2 4.01Å; F620-Y753 HydrophobicContact CB-CE1 4.05Å; F620-Y753 HydrophobicContact CB-CE2 4.28Å; F620-Y753 HydrophobicContact CB-CG 3.78Å; F620-Y753 HydrophobicContact CD2-CE1 4.21Å; F620-Y753 HydrophobicContact CD2-CE2 4.26Å; F620-Y753 AromaticContact CD2-CZ 3.92Å; F620-Y753 HydrophobicContact CG-CE2 4.46Å; F620-A833 HydrophobicContact CZ-CB 3.81Å; F620-I835 HydrophobicContact CD1-CD1 4.04Å; F620-I835 HydrophobicContact CD2-CG2 4.28Å; F620-I835 HydrophobicContact CE1-CD1 4.35Å; F620-I835 HydrophobicContact CE2-CG2 4.13Å; F620-I835 HydrophobicContact CG-CD1 4.38Å; F620-I835 HydrophobicContact CZ-CG2 4.39Å; F620-L851 HydrophobicContact CE1-CD2 4.16Å; F620-L851 HydrophobicContact CZ-CD1 4.29Å; F620-L851 HydrophobicContact CZ-CD2 4.37Å |
| 621 | V | 91.6 | Very high | 84.9 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 98.6 | 173 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | F605 F742 A743 E746 | F605-V621 HydrophobicContact CD1-CG2 4.01Å; F605-V621 HydrophobicContact CE1-CG1 4.35Å; F605-V621 HydrophobicContact CE1-CG2 3.96Å; V621-F742 HydrophobicContact CG2-CD1 4.04Å; V621-F742 HydrophobicContact CG2-CE1 4.38Å; V621-A743 HydrophobicContact CB-CB 4.08Å; V621-A743 HydrophobicContact CG1-CB 3.85Å; V621-A743 HydrophobicContact CG2-CB 3.98Å; V621-E746 PolarHBondContact N-OE2 3.44Å |
| 622 | T | 88.9 | Confident | 85.6 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -21.9 | -174.4 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | L604 N606 | L604-T622 PolarHBondContact O-N 3.26Å; L604-T622 VanDerWaalsContact O-N 3.14Å; N606-T622 HydrophobicContact CB-CG2 3.53Å |
| 623 | F | 88.4 | Confident | 86.6 | Confident | 97 Ų | 97 | 64.8 Ų | 64.8 | 43% | 0.425 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 144.7 | 177.5 | 176.7 | -99.2 | 0 | 0 | 0 | 111.1 | N601 A603 L604 | N601-F623 WeakPolarHBondContact O-CE1 3.4Å; A603-F623 CarbonylContact C-O 3.45Å; A603-F623 VanDerWaalsContact CA-O 3.26Å; A603-F623 WeakPolarHBondContact CA-O 3.46Å; L604-F623 HydrophobicContact CB-CB 4.05Å; L604-F623 HydrophobicContact CD1-CB 4.05Å; L604-F623 HydrophobicContact CG-CB 4.13Å; L604-F623 HydrophobicContact CG-CD1 4.36Å; L604-F623 PolarHBondContact N-O 2.98Å |
| 624 | I | 88.8 | Confident | 87.9 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139.4 | 164.1 | -169.3 | 164.7 | 0 | 0 | 0 | 108.7 | D602 Y628 L629 W739 A743 | D602-I624 CarbonylContact O-C 3.5Å; D602-I624 WeakPolarHBondContact O-CA 3.46Å; I624-Y628 HydrophobicContact CD1-CD1 3.95Å; I624-Y628 HydrophobicContact CD1-CE1 4.29Å; I624-Y628 HydrophobicContact CG1-CD1 4.08Å; I624-L629 HydrophobicContact CD1-CD2 3.84Å; I624-L629 HydrophobicContact CG1-CD2 4.25Å; I624-L629 HydrophobicContact CG1-CG 4.41Å; I624-L629 HydrophobicContact CG2-CD1 4.22Å; I624-L629 HydrophobicContact CG2-CD2 4.4Å; I624-L629 HydrophobicContact CG2-CG 4.46Å; I624-W739 HydrophobicContact CD1-CH2 4.03Å; I624-W739 HydrophobicContact CD1-CZ3 3.83Å; I624-A743 HydrophobicContact CD1-CB 4.46Å |
| 625 | S | 90.2 | Very high | 89.3 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 12% | 0.119 | 32% | 0.319 | C | S | . | . | trans | -81.6 | 137.5 | -172.5 | 90.1 | 0 | 0 | 0 | 0 | 112.4 | D602 G627 Y628 L629 | D602-S625 PolarHBondContact O-N 2.99Å; D602-S625 PolarHBondContact OD1-OG 3.45Å; S625-G627 PolarHBondContact O-N 2.93Å; S625-Y628 WeakPolarHBondContact O-CA 2.96Å; S625-Y628 WeakPolarHBondContact O-CB 3.45Å; S625-Y628 PolarHBondContact O-N 2.62Å; S625-Y628 VanDerWaalsContact OG-CB 3.23Å; S625-Y628 WeakPolarHBondContact OG-CB 3.48Å; S625-Y628 PolarHBondContact OG-N 3.26Å; S625-L629 PolarHBondContact O-N 3.08Å | ||
| 626 | D | 87.7 | Confident | 90.6 | Very high | 102 Ų | 102 | 53.7 Ų | 53.7 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55 | -35.2 | 175.4 | -134 | 51.7 | 0 | 0 | 0 | 112.1 | K630 | D626-K630 WeakPolarHBondContact O-CB 3.46Å; D626-K630 VanDerWaalsContact O-CD 3.29Å; D626-K630 WeakPolarHBondContact O-CD 3.37Å; D626-K630 VanDerWaalsContact O-CG 3.25Å; D626-K630 WeakPolarHBondContact O-CG 2.95Å; D626-K630 PolarHBondContact O-N 3.19Å; D626-K630 IonicContact OD2-NZ 3.32Å; D626-K630 PolarHBondContact OD2-NZ 3.11Å |
| 627 | G | 89.3 | Confident | 91.2 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 54% | 0.536 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.9 | -27.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S625 | S625-G627 PolarHBondContact O-N 2.93Å |
| 628 | Y | 90.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.2 | -46.5 | 172 | -177.5 | -90.3 | 0 | 0 | 0 | 111.3 | N596 A598 D602 I624 S625 K630 K631 I634 W739 I740 | N596-Y628 VanDerWaalsContact O-CE2 3.32Å; N596-Y628 WeakPolarHBondContact O-CE2 3.07Å; A598-Y628 HydrophobicContact CB-CD2 3.88Å; A598-Y628 HydrophobicContact CB-CE2 3.5Å; A598-Y628 VanDerWaalsContact CB-CE2 3.5Å; D602-Y628 HydrophobicContact CB-CD2 3.9Å; D602-Y628 HydrophobicContact CB-CG 4.2Å; I624-Y628 HydrophobicContact CD1-CD1 3.95Å; I624-Y628 HydrophobicContact CD1-CE1 4.29Å; I624-Y628 HydrophobicContact CG1-CD1 4.08Å; S625-Y628 WeakPolarHBondContact O-CA 2.96Å; S625-Y628 WeakPolarHBondContact O-CB 3.45Å; S625-Y628 PolarHBondContact O-N 2.62Å; S625-Y628 VanDerWaalsContact OG-CB 3.23Å; S625-Y628 WeakPolarHBondContact OG-CB 3.48Å; S625-Y628 PolarHBondContact OG-N 3.26Å; Y628-K630 PolarHBondContact O-N 3.31Å; Y628-K631 HydrophobicContact CD2-CD 3.97Å; Y628-K631 HydrophobicContact CE2-CD 4.23Å; Y628-K631 WeakPolarHBondContact O-CB 3.19Å; Y628-K631 WeakPolarHBondContact O-CG 3.19Å; Y628-K631 PolarHBondContact O-N 2.81Å; Y628-I634 HydrophobicContact CD1-CG1 4.5Å; Y628-I634 HydrophobicContact CD1-CG2 4.12Å; Y628-I634 HydrophobicContact CE1-CD1 3.94Å; Y628-I634 HydrophobicContact CE1-CG1 3.98Å; Y628-I634 HydrophobicContact CE1-CG2 3.83Å; Y628-I634 HydrophobicContact CE2-CD1 4.48Å; Y628-I634 WeakPolarHBondContact OH-CD1 3.21Å; Y628-W739 HydrophobicContact CD1-CH2 4.48Å; Y628-W739 AromaticContact CE1-CH2 3.84Å; Y628-W739 HydrophobicContact CE1-CH2 3.84Å; Y628-W739 AromaticContact CE1-CZ2 3.98Å; Y628-W739 HydrophobicContact CE1-CZ2 3.98Å; Y628-W739 AromaticContact CZ-CZ2 3.82Å; Y628-W739 WeakPolarHBondContact OH-CZ2 3.4Å; Y628-I740 HydrophobicContact CE1-CG1 4.5Å |
| 629 | L | 88.2 | Confident | 91.7 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 23% | 0.23 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.2 | -35.3 | 176.3 | -66.2 | 174.9 | 0 | 0 | 0 | 112.2 | I624 S625 K631 E635 I638 | I624-L629 HydrophobicContact CD1-CD2 3.84Å; I624-L629 HydrophobicContact CG1-CD2 4.25Å; I624-L629 HydrophobicContact CG1-CG 4.41Å; I624-L629 HydrophobicContact CG2-CD1 4.22Å; I624-L629 HydrophobicContact CG2-CD2 4.4Å; I624-L629 HydrophobicContact CG2-CG 4.46Å; S625-L629 PolarHBondContact O-N 3.08Å; L629-K631 VanDerWaalsContact C-N 3.32Å; L629-K631 PolarHBondContact O-N 3.39Å; L629-E635 PolarHBondContact O-N 2.83Å; L629-I638 HydrophobicContact CD2-CD1 3.71Å |
| 630 | K | 91.9 | Very high | 91.8 | Very high | 132 Ų | 132 | 42.1 Ų | 42.1 | 57% | 0.574 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | 9.7 | 178.7 | -67.4 | 165.2 | -174.2 | 166.9 | 0 | 114.4 | D626 Y628 | D626-K630 WeakPolarHBondContact O-CB 3.46Å; D626-K630 VanDerWaalsContact O-CD 3.29Å; D626-K630 WeakPolarHBondContact O-CD 3.37Å; D626-K630 VanDerWaalsContact O-CG 3.25Å; D626-K630 WeakPolarHBondContact O-CG 2.95Å; D626-K630 PolarHBondContact O-N 3.19Å; D626-K630 IonicContact OD2-NZ 3.32Å; D626-K630 PolarHBondContact OD2-NZ 3.11Å; Y628-K630 PolarHBondContact O-N 3.31Å |
| 631 | K | 92.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -73.4 | 132.6 | 168.7 | -67.7 | -179.5 | -169.8 | -179.5 | 0 | 109.1 | N596 A597 D602 Y628 L629 T633 I634 E635 | N596-K631 WeakPolarHBondContact O-CD 3.19Å; N596-K631 PolarHBondContact O-NZ 2.72Å; A597-K631 PolarHBondContact O-NZ 2.93Å; D602-K631 IonicContact OD2-NZ 3.28Å; Y628-K631 HydrophobicContact CD2-CD 3.97Å; Y628-K631 HydrophobicContact CE2-CD 4.23Å; Y628-K631 WeakPolarHBondContact O-CB 3.19Å; Y628-K631 WeakPolarHBondContact O-CG 3.19Å; Y628-K631 PolarHBondContact O-N 2.81Å; L629-K631 VanDerWaalsContact C-N 3.32Å; L629-K631 PolarHBondContact O-N 3.39Å; K631-T633 VanDerWaalsContact C-N 3.33Å; K631-T633 PolarHBondContact O-N 2.95Å; K631-T633 VanDerWaalsContact O-N 3.11Å; K631-I634 HydrophobicContact CB-CB 4.22Å; K631-I634 HydrophobicContact CB-CG1 3.75Å; K631-I634 HydrophobicContact CD-CG1 4.45Å; K631-I634 WeakPolarHBondContact O-CA 3.34Å; K631-I634 WeakPolarHBondContact O-CB 3.39Å; K631-I634 PolarHBondContact O-N 3.03Å; K631-E635 PolarHBondContact O-N 2.83Å |
| 632 | P | 92.7 | Very high | 91.6 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -30.4 | -170.2 | -30 | 35.9 | 0 | 0 | 0 | 117 | A636 F668 | P632-A636 WeakPolarHBondContact O-CB 3.35Å; P632-A636 PolarHBondContact O-N 2.95Å; P632-F668 HydrophobicContact CB-CD1 3.77Å; P632-F668 HydrophobicContact CB-CD2 4.17Å; P632-F668 HydrophobicContact CB-CE1 3.8Å; P632-F668 HydrophobicContact CB-CE2 4.17Å; P632-F668 HydrophobicContact CB-CG 3.97Å; P632-F668 HydrophobicContact CB-CZ 4Å |
| 633 | T | 94.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.2 | -24 | 174.4 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | N596 K631 L637 F668 V669 T672 E856 | N596-T633 PolarHBondContact ND2-OG1 3.5Å; K631-T633 VanDerWaalsContact C-N 3.33Å; K631-T633 PolarHBondContact O-N 2.95Å; K631-T633 VanDerWaalsContact O-N 3.11Å; T633-L637 WeakPolarHBondContact O-CB 3.47Å; T633-L637 PolarHBondContact O-N 2.83Å; T633-F668 HydrophobicContact CG2-CB 3.75Å; T633-V669 HydrophobicContact CG2-CG2 3.97Å; T633-T672 HydrophobicContact CG2-CG2 4.08Å; T633-E856 VanDerWaalsContact CB-OE2 3.32Å; T633-E856 WeakPolarHBondContact CB-OE2 3.31Å; T633-E856 WeakPolarHBondContact CG2-OE1 3.3Å; T633-E856 PolarHBondContact OG1-OE1 3Å; T633-E856 PolarHBondContact OG1-OE2 3.41Å |
| 634 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -82.3 | -49.1 | 178 | -51.5 | -58 | 0 | 0 | 0 | 109.9 | Y628 K631 A636 L637 I638 I740 T854 | Y628-I634 HydrophobicContact CD1-CG1 4.5Å; Y628-I634 HydrophobicContact CD1-CG2 4.12Å; Y628-I634 HydrophobicContact CE1-CD1 3.94Å; Y628-I634 HydrophobicContact CE1-CG1 3.98Å; Y628-I634 HydrophobicContact CE1-CG2 3.83Å; Y628-I634 HydrophobicContact CE2-CD1 4.48Å; Y628-I634 WeakPolarHBondContact OH-CD1 3.21Å; K631-I634 HydrophobicContact CB-CB 4.22Å; K631-I634 HydrophobicContact CB-CG1 3.75Å; K631-I634 HydrophobicContact CD-CG1 4.45Å; K631-I634 WeakPolarHBondContact O-CA 3.34Å; K631-I634 WeakPolarHBondContact O-CB 3.39Å; K631-I634 PolarHBondContact O-N 3.03Å; I634-A636 VanDerWaalsContact C-N 3.33Å; I634-A636 PolarHBondContact O-N 3.01Å; I634-L637 WeakPolarHBondContact O-CB 3.29Å; I634-L637 PolarHBondContact O-N 2.91Å; I634-I638 HydrophobicContact CG2-CD1 3.99Å; I634-I638 WeakPolarHBondContact O-CG1 3.22Å; I634-I638 PolarHBondContact O-N 3Å; I634-I740 HydrophobicContact CD1-CD1 3.85Å; I634-I740 HydrophobicContact CG2-CG2 4.18Å; I634-T854 HydrophobicContact CD1-CG2 4.5Å |
| 635 | E | 94 | Very high | 90.5 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.4 | -47.1 | 173.3 | -179.3 | 175.6 | -142.9 | 0 | 0 | 111.3 | L629 K631 L637 I638 N639 | L629-E635 PolarHBondContact O-N 2.83Å; K631-E635 PolarHBondContact O-N 2.83Å; E635-L637 VanDerWaalsContact C-N 3.33Å; E635-L637 PolarHBondContact O-N 2.97Å; E635-I638 PolarHBondContact O-N 2.79Å; E635-N639 WeakPolarHBondContact O-CB 3.44Å; E635-N639 VanDerWaalsContact O-CG 3.27Å; E635-N639 PolarHBondContact O-N 3.06Å; E635-N639 PolarHBondContact O-ND2 2.91Å |
| 636 | A | 95.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -28.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P632 I634 L640 F665 F668 | P632-A636 WeakPolarHBondContact O-CB 3.35Å; P632-A636 PolarHBondContact O-N 2.95Å; I634-A636 VanDerWaalsContact C-N 3.33Å; I634-A636 PolarHBondContact O-N 3.01Å; A636-L640 WeakPolarHBondContact O-CB 3.47Å; A636-L640 PolarHBondContact O-N 2.62Å; A636-L640 VanDerWaalsContact O-N 3.12Å; A636-F665 HydrophobicContact CB-CB 4.25Å; A636-F665 HydrophobicContact CB-CD2 4.09Å; A636-F668 HydrophobicContact CB-CD2 4.1Å |
| 637 | L | 95.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.5 | -45.4 | 171.1 | 178 | 69.7 | 0 | 0 | 0 | 111.1 | T633 I634 E635 L640 T641 F665 F720 F724 I740 A855 | T633-L637 WeakPolarHBondContact O-CB 3.47Å; T633-L637 PolarHBondContact O-N 2.83Å; I634-L637 WeakPolarHBondContact O-CB 3.29Å; I634-L637 PolarHBondContact O-N 2.91Å; E635-L637 VanDerWaalsContact C-N 3.33Å; E635-L637 PolarHBondContact O-N 2.97Å; L637-L640 PolarHBondContact O-N 3.46Å; L637-T641 HydrophobicContact CD1-CG2 3.91Å; L637-T641 HydrophobicContact CG-CG2 4.27Å; L637-T641 WeakPolarHBondContact O-CB 3.32Å; L637-T641 WeakPolarHBondContact O-CG2 2.81Å; L637-T641 PolarHBondContact O-N 3.5Å; L637-T641 PolarHBondContact O-OG1 2.81Å; L637-F665 HydrophobicContact CB-CD2 4.44Å; L637-F665 HydrophobicContact CB-CE2 3.95Å; L637-F665 HydrophobicContact CD1-CE2 4.06Å; L637-F665 HydrophobicContact CD1-CZ 4.13Å; L637-F720 HydrophobicContact CD1-CE2 4.02Å; L637-F720 HydrophobicContact CD1-CZ 3.88Å; L637-F724 HydrophobicContact CD1-CB 4.34Å; L637-F724 HydrophobicContact CD1-CD1 3.79Å; L637-F724 HydrophobicContact CD1-CE1 4.38Å; L637-F724 HydrophobicContact CD1-CG 4.18Å; L637-F724 HydrophobicContact CD2-CD1 4.26Å; L637-I740 HydrophobicContact CD2-CB 4.17Å; L637-I740 HydrophobicContact CD2-CD1 3.86Å; L637-I740 HydrophobicContact CD2-CG2 4.31Å; L637-A855 HydrophobicContact CB-CB 4.45Å; L637-A855 HydrophobicContact CD1-CB 4.38Å; L637-A855 HydrophobicContact CD2-CB 4.06Å |
| 638 | I | 93.6 | Very high | 87.5 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -51.1 | -179 | -67.3 | 165.7 | 0 | 0 | 0 | 109.5 | L629 I634 E635 L640 T641 A642 V744 | L629-I638 HydrophobicContact CD2-CD1 3.71Å; I634-I638 HydrophobicContact CG2-CD1 3.99Å; I634-I638 WeakPolarHBondContact O-CG1 3.22Å; I634-I638 PolarHBondContact O-N 3Å; E635-I638 PolarHBondContact O-N 2.79Å; I638-L640 VanDerWaalsContact C-N 3.31Å; I638-L640 PolarHBondContact O-N 2.81Å; I638-T641 PolarHBondContact O-N 2.92Å; I638-T641 PolarHBondContact O-OG1 2.8Å; I638-A642 PolarHBondContact O-N 3.15Å; I638-V744 HydrophobicContact CD1-CG2 4.44Å; I638-V744 HydrophobicContact CG1-CG2 4.31Å |
| 639 | N | 92.8 | Very high | 85.7 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 177.9 | -67.9 | -18.5 | 0 | 0 | 0 | 112.1 | E635 M661 | E635-N639 WeakPolarHBondContact O-CB 3.44Å; E635-N639 VanDerWaalsContact O-CG 3.27Å; E635-N639 PolarHBondContact O-N 3.06Å; E635-N639 PolarHBondContact O-ND2 2.91Å; N639-M661 HydrophobicContact CB-SD 4.39Å |
| 640 | L | 94 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 177 | 178.6 | 56 | 0 | 0 | 0 | 112.5 | A636 L637 I638 A642 M643 Y644 M661 I662 F665 F705 F720 | A636-L640 WeakPolarHBondContact O-CB 3.47Å; A636-L640 PolarHBondContact O-N 2.62Å; A636-L640 VanDerWaalsContact O-N 3.12Å; L637-L640 PolarHBondContact O-N 3.46Å; I638-L640 VanDerWaalsContact C-N 3.31Å; I638-L640 PolarHBondContact O-N 2.81Å; L640-A642 VanDerWaalsContact C-N 3.26Å; L640-A642 PolarHBondContact O-N 3.14Å; L640-M643 WeakPolarHBondContact O-CB 3.45Å; L640-M643 PolarHBondContact O-N 3.3Å; L640-M643 VanDerWaalsContact O-N 3.09Å; L640-Y644 HydrophobicContact CD1-CE2 3.82Å; L640-Y644 HydrophobicContact CG-CE2 4.13Å; L640-Y644 WeakPolarHBondContact O-CD2 3.26Å; L640-Y644 VanDerWaalsContact O-CE2 3.25Å; L640-Y644 WeakPolarHBondContact O-CE2 3.33Å; L640-M661 HydrophobicContact CD1-CB 3.88Å; L640-I662 HydrophobicContact CD1-CG1 3.66Å; L640-I662 HydrophobicContact CD2-CG1 4.3Å; L640-F665 HydrophobicContact CD2-CB 3.7Å; L640-F665 HydrophobicContact CD2-CD1 3.56Å; L640-F665 HydrophobicContact CD2-CE1 4.29Å; L640-F665 HydrophobicContact CD2-CG 3.7Å; L640-F705 HydrophobicContact CD2-CE1 3.87Å; L640-F705 HydrophobicContact CD2-CZ 4.02Å; L640-F720 HydrophobicContact CD2-CE1 4.1Å; L640-F720 HydrophobicContact CD2-CE2 4.13Å; L640-F720 HydrophobicContact CD2-CZ 3.62Å; L640-F720 HydrophobicContact CG-CE1 3.92Å; L640-F720 HydrophobicContact CG-CZ 3.8Å |
| 641 | T | 92.1 | Very high | 82.8 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -18.9 | 179.7 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | L637 I638 M643 F720 F724 V725 R741 | L637-T641 HydrophobicContact CD1-CG2 3.91Å; L637-T641 HydrophobicContact CG-CG2 4.27Å; L637-T641 WeakPolarHBondContact O-CB 3.32Å; L637-T641 WeakPolarHBondContact O-CG2 2.81Å; L637-T641 PolarHBondContact O-N 3.5Å; L637-T641 PolarHBondContact O-OG1 2.81Å; I638-T641 PolarHBondContact O-N 2.92Å; I638-T641 PolarHBondContact O-OG1 2.8Å; T641-M643 PolarHBondContact O-N 2.8Å; T641-F720 HydrophobicContact CG2-CE1 3.96Å; T641-F720 HydrophobicContact CG2-CZ 3.86Å; T641-F724 HydrophobicContact CG2-CB 4.17Å; T641-F724 WeakPolarHBondContact CG2-O 3.23Å; T641-V725 HydrophobicContact CG2-CG2 4.15Å; T641-R741 PolarHBondContact O-NH1 3.2Å; T641-R741 PolarHBondContact O-NH2 3.3Å; T641-R741 PolarHBondContact OG1-NH1 3.36Å |
| 642 | A | 88.5 | Confident | 81.4 | Confident | 69 Ų | 69 | 46.1 Ų | 46.1 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I638 L640 Y644 | I638-A642 PolarHBondContact O-N 3.15Å; L640-A642 VanDerWaalsContact C-N 3.26Å; L640-A642 PolarHBondContact O-N 3.14Å; A642-Y644 VanDerWaalsContact C-N 3.29Å; A642-Y644 PolarHBondContact O-N 2.92Å |
| 643 | M | 86.2 | Confident | 80 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 31% | 0.305 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 16 | 180 | -60.1 | -68 | -65.6 | 0 | 0 | 114 | L640 T641 T657 K658 M661 | L640-M643 WeakPolarHBondContact O-CB 3.45Å; L640-M643 PolarHBondContact O-N 3.3Å; L640-M643 VanDerWaalsContact O-N 3.09Å; T641-M643 PolarHBondContact O-N 2.8Å; M643-T657 HydrophobicContact CE-CG2 4.05Å; M643-K658 HydrophobicContact CB-CG 4.39Å; M643-K658 HydrophobicContact CE-CB 4.45Å; M643-K658 WeakPolarHBondContact O-CE 3.35Å; M643-K658 PolarHBondContact O-NZ 2.86Å; M643-M661 HydrophobicContact CG-CG 4.27Å |
| 644 | Y | 83 | Confident | 78.7 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | trans | -132.5 | 137.2 | -175.9 | -66 | -101 | 0 | 0 | 0 | 111.6 | L640 A642 E652 K658 F720 E721 V725 | L640-Y644 HydrophobicContact CD1-CE2 3.82Å; L640-Y644 HydrophobicContact CG-CE2 4.13Å; L640-Y644 WeakPolarHBondContact O-CD2 3.26Å; L640-Y644 VanDerWaalsContact O-CE2 3.25Å; L640-Y644 WeakPolarHBondContact O-CE2 3.33Å; A642-Y644 VanDerWaalsContact C-N 3.29Å; A642-Y644 PolarHBondContact O-N 2.92Å; Y644-E652 WeakPolarHBondContact CA-OE1 3.48Å; Y644-E652 WeakPolarHBondContact CD1-OE2 3.36Å; Y644-K658 VanDerWaalsContact CD1-CE 3.5Å; Y644-K658 VanDerWaalsContact CE1-NZ 3.29Å; Y644-F720 HydrophobicContact CD2-CE1 4.38Å; Y644-F720 HydrophobicContact CE1-CD1 4.4Å; Y644-F720 AromaticContact CE2-CD1 3.95Å; Y644-F720 HydrophobicContact CE2-CD1 3.95Å; Y644-F720 AromaticContact CE2-CE1 3.68Å; Y644-F720 HydrophobicContact CE2-CE1 3.68Å; Y644-F720 AromaticContact CZ-CD1 3.74Å; Y644-F720 AromaticContact CZ-CE1 3.97Å; Y644-E721 HydrophobicContact CD1-CG 3.22Å; Y644-E721 HydrophobicContact CE1-CG 3.47Å; Y644-E721 VanDerWaalsContact CE1-CG 3.47Å; Y644-E721 VanDerWaalsContact CE1-OE1 3.28Å; Y644-E721 WeakPolarHBondContact CE1-OE1 3.42Å; Y644-E721 HydrophobicContact CG-CG 4.16Å; Y644-V725 HydrophobicContact CD1-CG2 4.28Å; Y644-V725 HydrophobicContact CD2-CG2 3.89Å; Y644-V725 HydrophobicContact CE2-CG2 4.48Å; Y644-V725 HydrophobicContact CG-CG1 4.46Å; Y644-V725 HydrophobicContact CG-CG2 3.78Å | ||
| 645 | Q | 73.6 | Confident | 77.9 | Confident | 131 Ų | 131 | 62 Ų | 62 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | trans | -96.1 | 123.9 | 173.9 | 178.5 | 62.7 | 6.6 | 0 | 0 | 109.7 | Q647 E652 | Q645-Q647 HydrophobicContact CG-CB 4.25Å; Q645-Q647 PolarHBondContact O-N 3.11Å; Q645-Q647 VanDerWaalsContact O-N 3.08Å; Q645-E652 PolarHBondContact N-OE1 3.28Å | ||
| 646 | P | 71.2 | Confident | 77.3 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 22% | 0.221 | 35% | 0.351 | C | S | . | . | trans | -73.8 | 0.6 | -174 | 30.1 | -37 | 0 | 0 | 0 | 114.7 | G726 E727 V728 L839 | P646-G726 WeakPolarHBondContact CA-O 3.33Å; P646-G726 VanDerWaalsContact CB-O 3.3Å; P646-G726 WeakPolarHBondContact CB-O 3.46Å; P646-E727 CarbonylContact O-C 3.47Å; P646-E727 VanDerWaalsContact O-CA 3.32Å; P646-E727 WeakPolarHBondContact O-CA 3.42Å; P646-V728 WeakPolarHBondContact O-CB 3.3Å; P646-V728 PolarHBondContact O-N 2.81Å; P646-L839 HydrophobicContact CB-CD2 4.49Å | ||
| 647 | Q | 69.3 | Low | 76.8 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -92.8 | 113.5 | -173.7 | -177.9 | 54.2 | 56.3 | 0 | 0 | 111.5 | Q645 V728 | Q645-Q647 HydrophobicContact CG-CB 4.25Å; Q645-Q647 PolarHBondContact O-N 3.11Å; Q645-Q647 VanDerWaalsContact O-N 3.08Å; Q647-V728 PolarHBondContact NE2-O 2.74Å |
| 648 | L | 63 | Low | 76.4 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 155.8 | 179.7 | -62.6 | 167.7 | 0 | 0 | 0 | 111.9 | R710 D716 E727 V728 Y729 | L648-R710 VanDerWaalsContact CD1-NH2 3.29Å; L648-D716 WeakPolarHBondContact CD2-O 3.12Å; L648-E727 HydrophobicContact CD1-CB 4.05Å; L648-E727 HydrophobicContact CD2-CB 4.32Å; L648-E727 HydrophobicContact CG-CB 4.26Å; L648-V728 WeakPolarHBondContact CB-O 3.28Å; L648-V728 WeakPolarHBondContact CG-O 3.23Å; L648-V728 PolarHBondContact N-O 2.93Å; L648-Y729 HydrophobicContact CB-CD2 4.31Å |
| 649 | G | 53.9 | Low | 76.2 | Confident | 59 Ų | 59 | 70 Ų | 70 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | -7.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 650 | V | 60.3 | Low | 76 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 61% | 0.606 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -105.8 | 125 | 170.6 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | E652 | V650-E652 PolarHBondContact O-N 3.17Š|
| 651 | A | 58.1 | Low | 75.9 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | trans | -74 | 99.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R653 | A651-R653 PolarHBondContact O-N 2.77Š| ||
| 652 | E | 63.4 | Low | 76 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | trans | -64.8 | 101 | 175.9 | -71.2 | -149.1 | 134.2 | 0 | 0 | 112 | Y644 Q645 V650 T654 K658 | Y644-E652 WeakPolarHBondContact CA-OE1 3.48Å; Y644-E652 WeakPolarHBondContact CD1-OE2 3.36Å; Q645-E652 PolarHBondContact N-OE1 3.28Å; V650-E652 PolarHBondContact O-N 3.17Å; E652-T654 PolarHBondContact O-N 3.35Å; E652-K658 VanDerWaalsContact CD-NZ 3.33Å; E652-K658 IonicContact OE1-NZ 3.4Å; E652-K658 IonicContact OE2-NZ 3.54Å; E652-K658 PolarHBondContact OE2-NZ 2.7Å | ||
| 653 | R | 63.5 | Low | 76.2 | Confident | 230 Ų | 230 | 73.5 Ų | 73.5 | 87% | 0.868 | 38% | 0.384 | S | S | * | . | trans | -74.5 | 114.3 | 171 | -64 | -173.3 | -178.6 | -162.9 | 0.9 | 109.5 | A651 N655 | A651-R653 PolarHBondContact O-N 2.77Å; R653-N655 PolarHBondContact O-N 3.11Å | ||
| 654 | T | 67.5 | Low | 76.6 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -64.1 | 101.2 | 169.6 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | E652 K658 E659 | E652-T654 PolarHBondContact O-N 3.35Å; T654-K658 HydrophobicContact CG2-CB 4.18Å; T654-K658 HydrophobicContact CG2-CG 4.29Å; T654-E659 HydrophobicContact CG2-CB 4.07Å | ||
| 655 | N | 78 | Confident | 77.2 | Confident | 87 Ų | 87 | 74 Ų | 74 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | trans | -78 | 170 | 171.6 | 68.2 | 15.8 | 0 | 0 | 0 | 110.5 | R653 T657 K658 E659 | R653-N655 PolarHBondContact O-N 3.11Å; N655-T657 VanDerWaalsContact C-N 3.28Å; N655-T657 PolarHBondContact O-N 3.25Å; N655-T657 PolarHBondContact OD1-N 2.92Å; N655-K658 PolarHBondContact O-N 2.79Å; N655-K658 WeakPolarHBondContact OD1-CB 3.17Å; N655-K658 PolarHBondContact OD1-N 2.77Å; N655-E659 PolarHBondContact O-N 3.1Å; N655-E659 VanDerWaalsContact O-N 3.1Å | ||
| 656 | Q | 80.8 | Confident | 78.2 | Confident | 145 Ų | 145 | 67.9 Ų | 67.9 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.3 | -42.3 | -178.7 | -179.4 | 176.4 | -26.7 | 0 | 0 | 112.1 | K658 E659 E660 | Q656-K658 VanDerWaalsContact C-N 3.35Å; Q656-K658 PolarHBondContact O-N 2.74Å; Q656-E659 PolarHBondContact O-N 3.08Å; Q656-E660 HydrophobicContact CG-CG 4.31Å; Q656-E660 WeakPolarHBondContact CG-OE1 3.14Å; Q656-E660 PolarHBondContact NE2-OE1 3.44Å; Q656-E660 WeakPolarHBondContact O-CB 3.33Å; Q656-E660 WeakPolarHBondContact O-CG 3.46Å; Q656-E660 PolarHBondContact O-N 3.44Å |
| 657 | T | 85.4 | Confident | 79.3 | Confident | 71 Ų | 71 | 70 Ų | 70 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 179.1 | -45.3 | 0 | 0 | 0 | 0 | 112.8 | M643 N655 E660 M661 | M643-T657 HydrophobicContact CE-CG2 4.05Å; N655-T657 VanDerWaalsContact C-N 3.28Å; N655-T657 PolarHBondContact O-N 3.25Å; N655-T657 PolarHBondContact OD1-N 2.92Å; T657-E660 PolarHBondContact O-N 3.16Å; T657-M661 VanDerWaalsContact O-CG 3.29Å; T657-M661 WeakPolarHBondContact O-CG 3.37Å; T657-M661 PolarHBondContact O-N 2.81Å |
| 658 | K | 86.4 | Confident | 80.5 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 176.4 | -171.4 | 166.6 | -177.6 | 160.6 | 0 | 111.5 | M643 Y644 E652 T654 N655 Q656 M661 I662 | M643-K658 HydrophobicContact CB-CG 4.39Å; M643-K658 HydrophobicContact CE-CB 4.45Å; M643-K658 WeakPolarHBondContact O-CE 3.35Å; M643-K658 PolarHBondContact O-NZ 2.86Å; Y644-K658 VanDerWaalsContact CD1-CE 3.5Å; Y644-K658 VanDerWaalsContact CE1-NZ 3.29Å; E652-K658 VanDerWaalsContact CD-NZ 3.33Å; E652-K658 IonicContact OE1-NZ 3.4Å; E652-K658 IonicContact OE2-NZ 3.54Å; E652-K658 PolarHBondContact OE2-NZ 2.7Å; T654-K658 HydrophobicContact CG2-CB 4.18Å; T654-K658 HydrophobicContact CG2-CG 4.29Å; N655-K658 PolarHBondContact O-N 2.79Å; N655-K658 WeakPolarHBondContact OD1-CB 3.17Å; N655-K658 PolarHBondContact OD1-N 2.77Å; Q656-K658 VanDerWaalsContact C-N 3.35Å; Q656-K658 PolarHBondContact O-N 2.74Å; K658-M661 PolarHBondContact O-N 2.63Å; K658-I662 HydrophobicContact CG-CD1 4.43Å; K658-I662 VanDerWaalsContact O-CG1 3.25Å; K658-I662 WeakPolarHBondContact O-CG1 3.42Å; K658-I662 PolarHBondContact O-N 3.16Å |
| 659 | E | 88.3 | Confident | 82 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 173.3 | 179.2 | 69.5 | 161.5 | 0 | 0 | 111.9 | T654 N655 Q656 I662 E663 K701 | T654-E659 HydrophobicContact CG2-CB 4.07Å; N655-E659 PolarHBondContact O-N 3.1Å; N655-E659 VanDerWaalsContact O-N 3.1Å; Q656-E659 PolarHBondContact O-N 3.08Å; E659-I662 PolarHBondContact O-N 3.45Å; E659-E663 WeakPolarHBondContact O-CG 3.33Å; E659-E663 PolarHBondContact O-N 3.41Å; E659-K701 IonicContact OE1-NZ 2.71Å; E659-K701 PolarHBondContact OE1-NZ 3.46Å; E659-K701 WeakPolarHBondContact OE2-CE 3.09Å; E659-K701 IonicContact OE2-NZ 2.59Å; E659-K701 PolarHBondContact OE2-NZ 3.28Å |
| 660 | E | 90.5 | Very high | 83.9 | Confident | 100 Ų | 100 | 66.4 Ų | 66.4 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 173.4 | -74.7 | 167.5 | 173.3 | 0 | 0 | 112 | Q656 T657 E663 H664 | Q656-E660 HydrophobicContact CG-CG 4.31Å; Q656-E660 WeakPolarHBondContact CG-OE1 3.14Å; Q656-E660 PolarHBondContact NE2-OE1 3.44Å; Q656-E660 WeakPolarHBondContact O-CB 3.33Å; Q656-E660 WeakPolarHBondContact O-CG 3.46Å; Q656-E660 PolarHBondContact O-N 3.44Å; T657-E660 PolarHBondContact O-N 3.16Å; E660-E663 PolarHBondContact O-N 2.91Å; E660-H664 VanDerWaalsContact O-CB 3.27Å; E660-H664 WeakPolarHBondContact O-CB 3.42Å; E660-H664 PolarHBondContact O-N 3.26Å |
| 661 | M | 91.4 | Very high | 85.5 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 30% | 0.296 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 173 | -72.7 | -71.7 | -168.3 | 0 | 0 | 112.3 | N639 L640 M643 T657 K658 H664 F665 | N639-M661 HydrophobicContact CB-SD 4.39Å; L640-M661 HydrophobicContact CD1-CB 3.88Å; M643-M661 HydrophobicContact CG-CG 4.27Å; T657-M661 VanDerWaalsContact O-CG 3.29Å; T657-M661 WeakPolarHBondContact O-CG 3.37Å; T657-M661 PolarHBondContact O-N 2.81Å; K658-M661 PolarHBondContact O-N 2.63Å; M661-H664 PolarHBondContact O-N 3.49Å; M661-F665 WeakPolarHBondContact O-CB 2.99Å; M661-F665 PolarHBondContact O-N 2.99Å |
| 662 | I | 93.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174.5 | -69.5 | 164.9 | 0 | 0 | 0 | 110.5 | L640 K658 E659 H664 L666 F705 | L640-I662 HydrophobicContact CD1-CG1 3.66Å; L640-I662 HydrophobicContact CD2-CG1 4.3Å; K658-I662 HydrophobicContact CG-CD1 4.43Å; K658-I662 VanDerWaalsContact O-CG1 3.25Å; K658-I662 WeakPolarHBondContact O-CG1 3.42Å; K658-I662 PolarHBondContact O-N 3.16Å; E659-I662 PolarHBondContact O-N 3.45Å; I662-H664 VanDerWaalsContact C-N 3.34Å; I662-H664 PolarHBondContact O-N 3.46Å; I662-L666 HydrophobicContact CG2-CD1 3.8Å; I662-L666 VanDerWaalsContact O-CB 3.28Å; I662-L666 WeakPolarHBondContact O-CB 3.25Å; I662-L666 VanDerWaalsContact O-CG 3.23Å; I662-L666 WeakPolarHBondContact O-CG 3.35Å; I662-L666 PolarHBondContact O-N 2.66Å; I662-F705 HydrophobicContact CD1-CB 4.4Å; I662-F705 HydrophobicContact CD1-CD1 3.78Å; I662-F705 HydrophobicContact CD1-CE1 4.39Å; I662-F705 HydrophobicContact CD1-CG 4.29Å; I662-F705 HydrophobicContact CG1-CD1 3.8Å; I662-F705 HydrophobicContact CG1-CE1 3.92Å; I662-F705 HydrophobicContact CG1-CG 4.44Å; I662-F705 HydrophobicContact CG2-CD1 4.08Å; I662-F705 HydrophobicContact CG2-CD2 4.03Å; I662-F705 HydrophobicContact CG2-CE1 4.26Å; I662-F705 HydrophobicContact CG2-CE2 4.21Å; I662-F705 HydrophobicContact CG2-CG 3.95Å; I662-F705 HydrophobicContact CG2-CZ 4.32Å |
| 663 | E | 93.5 | Very high | 88.6 | Confident | 53 Ų | 53 | 68 Ų | 68 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | 176 | -73.1 | -66.2 | 133.2 | 0 | 0 | 112.4 | E659 E660 L666 N667 R697 K701 | E659-E663 WeakPolarHBondContact O-CG 3.33Å; E659-E663 PolarHBondContact O-N 3.41Å; E660-E663 PolarHBondContact O-N 2.91Å; E663-L666 CarbonylContact O-C 3.51Å; E663-L666 PolarHBondContact O-N 2.69Å; E663-N667 PolarHBondContact O-N 3.45Å; E663-N667 PolarHBondContact O-ND2 2.81Å; E663-N667 VanDerWaalsContact O-ND2 3.15Å; E663-N667 PolarHBondContact O-OD1 3.15Å; E663-R697 WeakPolarHBondContact OE2-CD 3.3Å; E663-R697 IonicContact OE2-CZ 2.69Å; E663-R697 IonicContact OE2-NE 3.18Å; E663-R697 IonicContact OE2-NH1 3.03Å; E663-R697 PolarHBondContact OE2-NH1 3.05Å; E663-K701 VanDerWaalsContact OE1-CD 3.24Å; E663-K701 WeakPolarHBondContact OE1-CD 3.44Å; E663-K701 WeakPolarHBondContact OE1-CE 3.23Å; E663-K701 IonicContact OE1-NZ 3.26Å; E663-K701 PolarHBondContact OE1-NZ 2.9Å |
| 664 | H | 93.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 40% | 0.403 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -50.3 | 177 | -173 | 89 | 0 | 0 | 0 | 112.1 | E660 M661 I662 L666 N667 F668 | E660-H664 VanDerWaalsContact O-CB 3.27Å; E660-H664 WeakPolarHBondContact O-CB 3.42Å; E660-H664 PolarHBondContact O-N 3.26Å; M661-H664 PolarHBondContact O-N 3.49Å; I662-H664 VanDerWaalsContact C-N 3.34Å; I662-H664 PolarHBondContact O-N 3.46Å; H664-L666 VanDerWaalsContact C-N 3.33Å; H664-L666 PolarHBondContact O-N 3.44Å; H664-N667 WeakPolarHBondContact O-CB 3.25Å; H664-N667 PolarHBondContact O-N 2.77Å; H664-F668 AromaticContact CE1-CE2 3.93Å; H664-F668 AromaticContact NE2-CE2 3.49Å; H664-F668 WeakPolarHBondContact NE2-CE2 3.25Å; H664-F668 PolarHBondContact O-N 3.34Å |
| 665 | F | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 171.8 | 171.9 | -112.1 | 0 | 0 | 0 | 111.7 | A636 L637 L640 M661 N667 F668 V669 F705 F720 A855 L859 | A636-F665 HydrophobicContact CB-CB 4.25Å; A636-F665 HydrophobicContact CB-CD2 4.09Å; L637-F665 HydrophobicContact CB-CD2 4.44Å; L637-F665 HydrophobicContact CB-CE2 3.95Å; L637-F665 HydrophobicContact CD1-CE2 4.06Å; L637-F665 HydrophobicContact CD1-CZ 4.13Å; L640-F665 HydrophobicContact CD2-CB 3.7Å; L640-F665 HydrophobicContact CD2-CD1 3.56Å; L640-F665 HydrophobicContact CD2-CE1 4.29Å; L640-F665 HydrophobicContact CD2-CG 3.7Å; M661-F665 WeakPolarHBondContact O-CB 2.99Å; M661-F665 PolarHBondContact O-N 2.99Å; F665-N667 PolarHBondContact O-N 2.87Å; F665-F668 PolarHBondContact O-N 2.79Å; F665-V669 HydrophobicContact CD2-CG2 3.9Å; F665-V669 HydrophobicContact CE1-CG2 4.28Å; F665-V669 HydrophobicContact CE2-CG2 3.55Å; F665-V669 HydrophobicContact CG-CG2 4.4Å; F665-V669 HydrophobicContact CZ-CG2 3.77Å; F665-V669 WeakPolarHBondContact O-CB 3.37Å; F665-V669 WeakPolarHBondContact O-CG2 3.21Å; F665-V669 PolarHBondContact O-N 2.99Å; F665-F705 HydrophobicContact CD1-CZ 4Å; F665-F705 HydrophobicContact CE1-CZ 4Å; F665-F720 AromaticContact CE1-CE2 3.96Å; F665-F720 HydrophobicContact CE1-CE2 3.96Å; F665-F720 HydrophobicContact CZ-CE2 4.27Å; F665-A855 HydrophobicContact CE2-CB 3.92Å; F665-A855 HydrophobicContact CZ-CB 3.97Å; F665-L859 HydrophobicContact CE1-CD1 3.84Å; F665-L859 HydrophobicContact CZ-CD1 3.78Å |
| 666 | L | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.9 | -7.3 | 175.6 | -67.6 | 173.7 | 0 | 0 | 0 | 114.1 | I662 E663 H664 L670 R697 L700 K701 F705 | I662-L666 HydrophobicContact CG2-CD1 3.8Å; I662-L666 VanDerWaalsContact O-CB 3.28Å; I662-L666 WeakPolarHBondContact O-CB 3.25Å; I662-L666 VanDerWaalsContact O-CG 3.23Å; I662-L666 WeakPolarHBondContact O-CG 3.35Å; I662-L666 PolarHBondContact O-N 2.66Å; E663-L666 CarbonylContact O-C 3.51Å; E663-L666 PolarHBondContact O-N 2.69Å; H664-L666 VanDerWaalsContact C-N 3.33Å; H664-L666 PolarHBondContact O-N 3.44Å; L666-L670 VanDerWaalsContact O-CB 3.28Å; L666-L670 WeakPolarHBondContact O-CB 3.33Å; L666-L670 VanDerWaalsContact O-CD1 3.23Å; L666-L670 WeakPolarHBondContact O-CD1 3.17Å; L666-L670 WeakPolarHBondContact O-CG 3.16Å; L666-R697 VanDerWaalsContact C-NH2 3.31Å; L666-R697 HydrophobicContact CD1-CG 4.17Å; L666-R697 PolarHBondContact O-NH2 3.16Å; L666-L700 HydrophobicContact CD2-CB 4.5Å; L666-L700 HydrophobicContact CD2-CD1 4.39Å; L666-K701 HydrophobicContact CD1-CD 4.04Å; L666-K701 HydrophobicContact CD1-CG 3.53Å; L666-F705 HydrophobicContact CD1-CD2 4.42Å; L666-F705 HydrophobicContact CD1-CE2 4.18Å; L666-F705 HydrophobicContact CD2-CE2 4.33Å; L666-F705 HydrophobicContact CG-CE2 4.4Å |
| 667 | N | 94.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -76.6 | -52.6 | 167.3 | -72.4 | -37.6 | 0 | 0 | 0 | 109.9 | E663 H664 F665 R697 | E663-N667 PolarHBondContact O-N 3.45Å; E663-N667 PolarHBondContact O-ND2 2.81Å; E663-N667 VanDerWaalsContact O-ND2 3.15Å; E663-N667 PolarHBondContact O-OD1 3.15Å; H664-N667 WeakPolarHBondContact O-CB 3.25Å; H664-N667 PolarHBondContact O-N 2.77Å; F665-N667 PolarHBondContact O-N 2.87Å; N667-R697 PolarHBondContact OD1-NH1 2.66Å; N667-R697 VanDerWaalsContact OD1-NH1 3.15Å; N667-R697 PolarHBondContact OD1-NH2 3.28Å |
| 668 | F | 94.8 | Very high | 92.9 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 37% | 0.368 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -50.7 | 179.9 | -69.1 | -60.4 | 0 | 0 | 0 | 112.5 | P632 T633 A636 H664 F665 L670 E671 | P632-F668 HydrophobicContact CB-CD1 3.77Å; P632-F668 HydrophobicContact CB-CD2 4.17Å; P632-F668 HydrophobicContact CB-CE1 3.8Å; P632-F668 HydrophobicContact CB-CE2 4.17Å; P632-F668 HydrophobicContact CB-CG 3.97Å; P632-F668 HydrophobicContact CB-CZ 4Å; T633-F668 HydrophobicContact CG2-CB 3.75Å; A636-F668 HydrophobicContact CB-CD2 4.1Å; H664-F668 AromaticContact CE1-CE2 3.93Å; H664-F668 AromaticContact NE2-CE2 3.49Å; H664-F668 WeakPolarHBondContact NE2-CE2 3.25Å; H664-F668 PolarHBondContact O-N 3.34Å; F665-F668 PolarHBondContact O-N 2.79Å; F668-L670 VanDerWaalsContact C-N 3.28Å; F668-L670 PolarHBondContact O-N 2.82Å; F668-E671 PolarHBondContact O-N 3.48Å |
| 669 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | -176.7 | 162.5 | 0 | 0 | 0 | 0 | 111.9 | T633 F665 E671 T672 M675 E856 L859 | T633-V669 HydrophobicContact CG2-CG2 3.97Å; F665-V669 HydrophobicContact CD2-CG2 3.9Å; F665-V669 HydrophobicContact CE1-CG2 4.28Å; F665-V669 HydrophobicContact CE2-CG2 3.55Å; F665-V669 HydrophobicContact CG-CG2 4.4Å; F665-V669 HydrophobicContact CZ-CG2 3.77Å; F665-V669 WeakPolarHBondContact O-CB 3.37Å; F665-V669 WeakPolarHBondContact O-CG2 3.21Å; F665-V669 PolarHBondContact O-N 2.99Å; V669-E671 VanDerWaalsContact C-N 3.33Å; V669-E671 PolarHBondContact O-N 3.34Å; V669-T672 WeakPolarHBondContact O-CG2 2.98Å; V669-T672 PolarHBondContact O-N 2.81Å; V669-T672 PolarHBondContact O-OG1 2.88Å; V669-M675 HydrophobicContact CG1-CE 3.76Å; V669-M675 HydrophobicContact CG1-CG 3.7Å; V669-M675 HydrophobicContact CG1-SD 4.28Å; V669-M675 VanDerWaalsContact O-CB 3.23Å; V669-M675 WeakPolarHBondContact O-CB 3.2Å; V669-M675 WeakPolarHBondContact O-CG 3.2Å; V669-E856 HydrophobicContact CG1-CB 4.09Å; V669-L859 HydrophobicContact CG1-CD1 3.89Å |
| 670 | L | 93.7 | Very high | 93 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.5 | -17.9 | -176 | -73.8 | -177 | 0 | 0 | 0 | 115.4 | L666 F668 M675 H676 F696 R697 L700 | L666-L670 VanDerWaalsContact O-CB 3.28Å; L666-L670 WeakPolarHBondContact O-CB 3.33Å; L666-L670 VanDerWaalsContact O-CD1 3.23Å; L666-L670 WeakPolarHBondContact O-CD1 3.17Å; L666-L670 WeakPolarHBondContact O-CG 3.16Å; F668-L670 VanDerWaalsContact C-N 3.28Å; F668-L670 PolarHBondContact O-N 2.82Å; L670-M675 HydrophobicContact CD2-CE 4.3Å; L670-H676 PolarHBondContact O-CE1 3.29Å; L670-H676 PolarHBondContact O-ND1 3.48Å; L670-H676 VanDerWaalsContact O-ND1 3.12Å; L670-F696 HydrophobicContact CD2-CD1 3.46Å; L670-F696 VanDerWaalsContact CD2-CD1 3.46Å; L670-F696 HydrophobicContact CD2-CE1 3.3Å; L670-F696 HydrophobicContact CD2-CG 4.26Å; L670-F696 HydrophobicContact CD2-CZ 3.99Å; L670-R697 HydrophobicContact CD1-CB 3.8Å; L670-R697 HydrophobicContact CD1-CG 4.27Å; L670-L700 HydrophobicContact CD2-CD1 3.63Å |
| 671 | E | 92.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 47% | 0.467 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5.3 | 176.3 | -56.1 | -50.1 | 133.3 | 0 | 0 | 113.6 | F668 V669 H676 K693 | F668-E671 PolarHBondContact O-N 3.48Å; V669-E671 VanDerWaalsContact C-N 3.33Å; V669-E671 PolarHBondContact O-N 3.34Å; E671-H676 IonicContact OE2-CE1 2.63Å; E671-K693 WeakPolarHBondContact OE1-CE 3.26Å; E671-K693 IonicContact OE1-NZ 2.75Å; E671-K693 PolarHBondContact OE1-NZ 2.99Å; E671-K693 IonicContact OE2-NZ 2.76Å; E671-K693 PolarHBondContact OE2-NZ 3.26Å |
| 672 | T | 94.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -69 | 152.7 | 179.1 | 67.4 | 0 | 0 | 0 | 0 | 112.5 | T633 V669 V674 M675 H676 E856 | T633-T672 HydrophobicContact CG2-CG2 4.08Å; V669-T672 WeakPolarHBondContact O-CG2 2.98Å; V669-T672 PolarHBondContact O-N 2.81Å; V669-T672 PolarHBondContact O-OG1 2.88Å; T672-V674 VanDerWaalsContact C-N 3.27Å; T672-V674 PolarHBondContact O-N 3.12Å; T672-M675 PolarHBondContact O-N 3.43Å; T672-M675 WeakPolarHBondContact OG1-CB 3.24Å; T672-M675 WeakPolarHBondContact OG1-CG 3.31Å; T672-M675 PolarHBondContact OG1-N 3.35Å; T672-M675 VanDerWaalsContact OG1-N 3.09Å; T672-H676 WeakPolarHBondContact O-CB 3.26Å; T672-H676 PolarHBondContact O-N 2.92Å; T672-H676 PolarHBondContact O-ND1 3.05Å; T672-E856 HydrophobicContact CG2-CB 4.29Å; T672-E856 HydrophobicContact CG2-CG 3.9Å; T672-E856 WeakPolarHBondContact CG2-OE1 3.38Å |
| 673 | R | 92.8 | Very high | 92 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60 | -39.8 | 174 | -72.3 | 177.8 | 64.1 | -141.9 | -5 | 111.3 | E592 A593 H676 L677 | E592-R673 PolarHBondContact O-NH1 3.39Å; A593-R673 HydrophobicContact CB-CB 3.82Å; R673-H676 WeakPolarHBondContact O-CB 3.48Å; R673-H676 PolarHBondContact O-N 3.13Å; R673-L677 WeakPolarHBondContact O-CG 3.29Å; R673-L677 PolarHBondContact O-N 2.8Å |
| 674 | V | 94.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -50.4 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | M590 A593 D594 T672 H676 L677 L678 E856 F857 A860 | M590-V674 HydrophobicContact CB-CG1 4.4Å; M590-V674 HydrophobicContact CG-CG1 4.24Å; M590-V674 HydrophobicContact SD-CG1 4.4Å; A593-V674 HydrophobicContact CB-CG2 4.04Å; D594-V674 HydrophobicContact CB-CG2 3.71Å; T672-V674 VanDerWaalsContact C-N 3.27Å; T672-V674 PolarHBondContact O-N 3.12Å; V674-H676 VanDerWaalsContact C-N 3.34Å; V674-H676 PolarHBondContact O-N 3.24Å; V674-L677 CarbonylContact O-C 3.1Å; V674-L677 WeakPolarHBondContact O-CB 3.05Å; V674-L677 PolarHBondContact O-N 3.17Å; V674-L677 VanDerWaalsContact O-N 3.15Å; V674-L678 PolarHBondContact O-N 3.02Å; V674-E856 HydrophobicContact CB-CG 4.37Å; V674-F857 HydrophobicContact CG1-CB 4.4Å; V674-F857 HydrophobicContact CG1-CD2 4.44Å; V674-A860 HydrophobicContact CG1-CB 3.87Å |
| 675 | M | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.6 | -24 | 179.4 | -64.9 | -61.8 | -89.3 | 0 | 0 | 113.2 | V669 L670 T672 L678 K679 F696 L700 E856 L859 A860 | V669-M675 HydrophobicContact CG1-CE 3.76Å; V669-M675 HydrophobicContact CG1-CG 3.7Å; V669-M675 HydrophobicContact CG1-SD 4.28Å; V669-M675 VanDerWaalsContact O-CB 3.23Å; V669-M675 WeakPolarHBondContact O-CB 3.2Å; V669-M675 WeakPolarHBondContact O-CG 3.2Å; L670-M675 HydrophobicContact CD2-CE 4.3Å; T672-M675 PolarHBondContact O-N 3.43Å; T672-M675 WeakPolarHBondContact OG1-CB 3.24Å; T672-M675 WeakPolarHBondContact OG1-CG 3.31Å; T672-M675 PolarHBondContact OG1-N 3.35Å; T672-M675 VanDerWaalsContact OG1-N 3.09Å; M675-L678 HydrophobicContact CE-CD2 3.67Å; M675-L678 PolarHBondContact O-N 3.02Å; M675-L678 HydrophobicContact SD-CB 4.18Å; M675-L678 HydrophobicContact SD-CD2 3.53Å; M675-L678 VanDerWaalsContact SD-CD2 3.53Å; M675-L678 HydrophobicContact SD-CG 4.49Å; M675-K679 VanDerWaalsContact O-CB 3.26Å; M675-K679 WeakPolarHBondContact O-CB 3.2Å; M675-K679 PolarHBondContact O-N 3.01Å; M675-F696 HydrophobicContact CB-CE1 4.26Å; M675-F696 HydrophobicContact CB-CZ 4.33Å; M675-F696 HydrophobicContact CE-CZ 3.94Å; M675-F696 VanDerWaalsContact O-CE1 3.3Å; M675-F696 WeakPolarHBondContact O-CE1 3.43Å; M675-F696 WeakPolarHBondContact O-CZ 3.14Å; M675-L700 HydrophobicContact CE-CD1 3.36Å; M675-L700 HydrophobicContact CE-CD2 4.11Å; M675-L700 HydrophobicContact CE-CG 4.39Å; M675-E856 HydrophobicContact CG-CB 3.89Å; M675-L859 HydrophobicContact CE-CB 4.38Å; M675-A860 HydrophobicContact SD-CB 4.03Å |
| 676 | H | 92.1 | Very high | 89.3 | Confident | 80 Ų | 80 | 39 Ų | 39 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.4 | -38.3 | 167 | -81.5 | 37.4 | 0 | 0 | 0 | 112.1 | L670 E671 T672 R673 V674 Q680 | L670-H676 PolarHBondContact O-CE1 3.29Å; L670-H676 PolarHBondContact O-ND1 3.48Å; L670-H676 VanDerWaalsContact O-ND1 3.12Å; E671-H676 IonicContact OE2-CE1 2.63Å; T672-H676 WeakPolarHBondContact O-CB 3.26Å; T672-H676 PolarHBondContact O-N 2.92Å; T672-H676 PolarHBondContact O-ND1 3.05Å; R673-H676 WeakPolarHBondContact O-CB 3.48Å; R673-H676 PolarHBondContact O-N 3.13Å; V674-H676 VanDerWaalsContact C-N 3.34Å; V674-H676 PolarHBondContact O-N 3.24Å; H676-Q680 WeakPolarHBondContact O-CG 3.21Å; H676-Q680 PolarHBondContact O-N 2.77Å |
| 677 | L | 92.4 | Very high | 88.3 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 18% | 0.178 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -43.6 | 170.5 | -73.1 | 174.4 | 0 | 0 | 0 | 111.1 | L589 M590 A593 R673 V674 K679 Q680 V681 | L589-L677 HydrophobicContact CB-CD1 4.25Å; L589-L677 WeakPolarHBondContact O-CD1 3.27Å; M590-L677 HydrophobicContact CE-CB 4.03Å; M590-L677 HydrophobicContact CG-CB 4.33Å; M590-L677 HydrophobicContact CG-CD1 4.36Å; A593-L677 HydrophobicContact CB-CD1 3.55Å; R673-L677 WeakPolarHBondContact O-CG 3.29Å; R673-L677 PolarHBondContact O-N 2.8Å; V674-L677 CarbonylContact O-C 3.1Å; V674-L677 WeakPolarHBondContact O-CB 3.05Å; V674-L677 PolarHBondContact O-N 3.17Å; V674-L677 VanDerWaalsContact O-N 3.15Å; L677-K679 VanDerWaalsContact C-N 3.31Å; L677-K679 PolarHBondContact O-N 3.49Å; L677-Q680 CarbonylContact O-C 3.45Å; L677-Q680 WeakPolarHBondContact O-CA 3.27Å; L677-Q680 WeakPolarHBondContact O-CB 3.22Å; L677-Q680 PolarHBondContact O-N 3.24Å; L677-V681 WeakPolarHBondContact O-CG2 3.46Å; L677-V681 PolarHBondContact O-N 2.94Å |
| 678 | L | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.2 | -48 | 172.8 | -178.7 | 64.6 | 0 | 0 | 0 | 110.1 | M590 V674 M675 Q680 V681 L682 F696 L700 A860 T863 I864 | M590-L678 VanDerWaalsContact CE-CA 3.47Å; M590-L678 HydrophobicContact CE-CB 3.79Å; M590-L678 HydrophobicContact CE-CD1 4.3Å; M590-L678 VanDerWaalsContact CE-N 3.28Å; V674-L678 PolarHBondContact O-N 3.02Å; M675-L678 HydrophobicContact CE-CD2 3.67Å; M675-L678 PolarHBondContact O-N 3.02Å; M675-L678 HydrophobicContact SD-CB 4.18Å; M675-L678 HydrophobicContact SD-CD2 3.53Å; M675-L678 VanDerWaalsContact SD-CD2 3.53Å; M675-L678 HydrophobicContact SD-CG 4.49Å; L678-Q680 VanDerWaalsContact C-N 3.28Å; L678-Q680 PolarHBondContact O-N 3.45Å; L678-V681 CarbonylContact O-C 3.5Å; L678-V681 WeakPolarHBondContact O-CA 3.31Å; L678-V681 WeakPolarHBondContact O-CB 3.23Å; L678-V681 PolarHBondContact O-N 2.77Å; L678-V681 VanDerWaalsContact O-N 3.11Å; L678-L682 HydrophobicContact CD1-CD1 3.94Å; L678-L682 HydrophobicContact CD1-CD2 4.03Å; L678-L682 HydrophobicContact CD1-CG 3.77Å; L678-L682 HydrophobicContact CD2-CD1 4.16Å; L678-L682 HydrophobicContact CG-CD1 3.76Å; L678-L682 HydrophobicContact CG-CG 3.95Å; L678-L682 VanDerWaalsContact O-CG 3.31Å; L678-L682 WeakPolarHBondContact O-CG 3.37Å; L678-L682 PolarHBondContact O-N 2.6Å; L678-F696 HydrophobicContact CB-CZ 4.13Å; L678-F696 HydrophobicContact CD2-CE2 3.79Å; L678-F696 HydrophobicContact CD2-CZ 3.75Å; L678-F696 HydrophobicContact CG-CE2 4.05Å; L678-F696 HydrophobicContact CG-CZ 3.99Å; L678-L700 HydrophobicContact CD2-CD2 4.34Å; L678-A860 HydrophobicContact CB-CB 3.96Å; L678-A860 HydrophobicContact CD1-CB 4.08Å; L678-A860 HydrophobicContact CD2-CB 3.91Å; L678-A860 HydrophobicContact CG-CB 4.19Å; L678-T863 HydrophobicContact CD1-CG2 4.36Å; L678-T863 HydrophobicContact CD2-CG2 4.36Å; L678-I864 HydrophobicContact CD1-CD1 3.77Å; L678-I864 HydrophobicContact CD1-CG1 3.55Å |
| 679 | K | 90.8 | Very high | 86 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 13% | 0.13 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 177.1 | -164.6 | -179.4 | -178.8 | -174.9 | 0 | 112.3 | M675 L677 R683 L688 S691 S692 F696 | M675-K679 VanDerWaalsContact O-CB 3.26Å; M675-K679 WeakPolarHBondContact O-CB 3.2Å; M675-K679 PolarHBondContact O-N 3.01Å; L677-K679 VanDerWaalsContact C-N 3.31Å; L677-K679 PolarHBondContact O-N 3.49Å; K679-R683 VanDerWaalsContact O-CB 3.24Å; K679-R683 WeakPolarHBondContact O-CB 3.3Å; K679-R683 WeakPolarHBondContact O-CG 3.4Å; K679-R683 PolarHBondContact O-N 3.2Å; K679-L688 HydrophobicContact CG-CD1 3.95Å; K679-S691 WeakPolarHBondContact CE-O 3.26Å; K679-S691 PolarHBondContact NZ-O 2.72Å; K679-S692 VanDerWaalsContact CE-O 3.27Å; K679-S692 WeakPolarHBondContact CE-O 3.46Å; K679-S692 PolarHBondContact NZ-O 3.32Å; K679-F696 HydrophobicContact CB-CD1 3.8Å; K679-F696 HydrophobicContact CB-CE1 3.57Å; K679-F696 HydrophobicContact CB-CG 4.37Å; K679-F696 HydrophobicContact CB-CZ 3.96Å; K679-F696 HydrophobicContact CD-CB 4.44Å; K679-F696 HydrophobicContact CD-CD1 3.63Å; K679-F696 HydrophobicContact CD-CE1 4.15Å; K679-F696 HydrophobicContact CD-CG 4.25Å; K679-F696 HydrophobicContact CG-CB 4.37Å; K679-F696 HydrophobicContact CG-CD1 3.66Å; K679-F696 HydrophobicContact CG-CE1 3.99Å; K679-F696 HydrophobicContact CG-CG 3.97Å |
| 680 | Q | 87.5 | Confident | 84.4 | Confident | 77 Ų | 77 | 36.8 Ų | 36.8 | 36% | 0.36 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 172.5 | -76.8 | -178.2 | 57.3 | 0 | 0 | 111.2 | H676 L677 L678 R683 R684 | H676-Q680 WeakPolarHBondContact O-CG 3.21Å; H676-Q680 PolarHBondContact O-N 2.77Å; L677-Q680 CarbonylContact O-C 3.45Å; L677-Q680 WeakPolarHBondContact O-CA 3.27Å; L677-Q680 WeakPolarHBondContact O-CB 3.22Å; L677-Q680 PolarHBondContact O-N 3.24Å; L678-Q680 VanDerWaalsContact C-N 3.28Å; L678-Q680 PolarHBondContact O-N 3.45Å; Q680-R683 PolarHBondContact O-N 3.35Å; Q680-R684 WeakPolarHBondContact O-CB 3.02Å; Q680-R684 WeakPolarHBondContact O-CG 3.34Å; Q680-R684 PolarHBondContact O-N 3.06Å |
| 681 | V | 85.2 | Confident | 83 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.8 | -62.5 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | I586 L677 L678 R683 R684 R685 I864 | I586-V681 HydrophobicContact CD1-CG1 3.89Å; I586-V681 HydrophobicContact CD1-CG2 3.83Å; I586-V681 HydrophobicContact CG1-CG2 3.98Å; I586-V681 HydrophobicContact CG2-CG2 3.89Å; L677-V681 WeakPolarHBondContact O-CG2 3.46Å; L677-V681 PolarHBondContact O-N 2.94Å; L678-V681 CarbonylContact O-C 3.5Å; L678-V681 WeakPolarHBondContact O-CA 3.31Å; L678-V681 WeakPolarHBondContact O-CB 3.23Å; L678-V681 PolarHBondContact O-N 2.77Å; L678-V681 VanDerWaalsContact O-N 3.11Å; V681-R683 PolarHBondContact O-N 2.92Å; V681-R684 CarbonylContact O-C 3.59Å; V681-R684 WeakPolarHBondContact O-CA 3.11Å; V681-R684 WeakPolarHBondContact O-CB 3.27Å; V681-R684 PolarHBondContact O-N 2.97Å; V681-R685 HydrophobicContact CG1-CG 3.66Å; V681-R685 WeakPolarHBondContact O-CA 3.47Å; V681-R685 VanDerWaalsContact O-CB 3.26Å; V681-R685 WeakPolarHBondContact O-CB 3.06Å; V681-R685 WeakPolarHBondContact O-CG 2.9Å; V681-R685 PolarHBondContact O-N 2.84Å; V681-I864 HydrophobicContact CG1-CD1 4.35Å; V681-I864 HydrophobicContact CG1-CG1 4.09Å |
| 682 | L | 84.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -22.9 | -178 | -56.3 | -177.6 | 0 | 0 | 0 | 115.4 | L678 R685 N686 I687 L688 F696 L699 T863 V867 | L678-L682 HydrophobicContact CD1-CD1 3.94Å; L678-L682 HydrophobicContact CD1-CD2 4.03Å; L678-L682 HydrophobicContact CD1-CG 3.77Å; L678-L682 HydrophobicContact CD2-CD1 4.16Å; L678-L682 HydrophobicContact CG-CD1 3.76Å; L678-L682 HydrophobicContact CG-CG 3.95Å; L678-L682 VanDerWaalsContact O-CG 3.31Å; L678-L682 WeakPolarHBondContact O-CG 3.37Å; L678-L682 PolarHBondContact O-N 2.6Å; L682-R685 CarbonylContact O-C 3.5Å; L682-R685 VanDerWaalsContact O-C 3.29Å; L682-N686 WeakPolarHBondContact O-CA 3.47Å; L682-N686 PolarHBondContact O-N 3.45Å; L682-I687 HydrophobicContact CD2-CD1 3.82Å; L682-I687 PolarHBondContact O-N 3.06Å; L682-L688 HydrophobicContact CB-CD1 3.79Å; L682-L688 HydrophobicContact CB-CG 3.85Å; L682-L688 HydrophobicContact CD1-CD1 4.49Å; L682-L688 PolarHBondContact O-N 3.03Å; L682-F696 HydrophobicContact CD1-CD2 4.22Å; L682-F696 HydrophobicContact CD1-CE2 3.77Å; L682-L699 HydrophobicContact CD1-CD2 3.8Å; L682-T863 HydrophobicContact CD1-CG2 3.83Å; L682-T863 HydrophobicContact CD2-CG2 4.16Å; L682-V867 HydrophobicContact CD2-CG2 3.45Å; L682-V867 VanDerWaalsContact CD2-CG2 3.45Å |
| 683 | R | 83.9 | Confident | 81.6 | Confident | 96 Ų | 96 | 38.1 Ų | 38.1 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -80.3 | -47.2 | 168.6 | -76.1 | 177.3 | 66.1 | -149.9 | -1.9 | 112.2 | K679 Q680 V681 R685 N686 L688 T690 | K679-R683 VanDerWaalsContact O-CB 3.24Å; K679-R683 WeakPolarHBondContact O-CB 3.3Å; K679-R683 WeakPolarHBondContact O-CG 3.4Å; K679-R683 PolarHBondContact O-N 3.2Å; Q680-R683 PolarHBondContact O-N 3.35Å; V681-R683 PolarHBondContact O-N 2.92Å; R683-R685 PolarHBondContact O-N 2.69Å; R683-N686 PolarHBondContact O-N 3.2Å; R683-N686 PolarHBondContact O-ND2 2.9Å; R683-L688 HydrophobicContact CG-CB 3.96Å; R683-L688 HydrophobicContact CG-CD1 4.08Å; R683-T690 WeakPolarHBondContact CD-O 3.38Å; R683-T690 WeakPolarHBondContact CG-O 3.41Å; R683-T690 PolarHBondContact NE-O 3.34Å |
| 684 | R | 80.6 | Confident | 81.2 | Confident | 53 Ų | 53 | 36 Ų | 36 | 20% | 0.2 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.2 | -31.4 | 166.7 | -73.5 | 173.1 | -175.8 | 145.2 | 5 | 110.3 | W99 I100 A103 Y104 Q680 V681 | W99-R684 VanDerWaalsContact CZ2-CZ 3.48Å; I100-R684 HydrophobicContact CB-CG 4.28Å; I100-R684 HydrophobicContact CG1-CG 4.04Å; I100-R684 HydrophobicContact CG2-CB 4.25Å; I100-R684 HydrophobicContact CG2-CG 3.93Å; A103-R684 HydrophobicContact CB-CB 4.49Å; Y104-R684 WeakPolarHBondContact CA-O 3.19Å; Y104-R684 WeakPolarHBondContact CB-O 3.23Å; Y104-R684 PolarHBondContact N-O 2.75Å; Q680-R684 WeakPolarHBondContact O-CB 3.02Å; Q680-R684 WeakPolarHBondContact O-CG 3.34Å; Q680-R684 PolarHBondContact O-N 3.06Å; V681-R684 CarbonylContact O-C 3.59Å; V681-R684 WeakPolarHBondContact O-CA 3.11Å; V681-R684 WeakPolarHBondContact O-CB 3.27Å; V681-R684 PolarHBondContact O-N 2.97Å |
| 685 | R | 74 | Confident | 80.8 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 16.3 | 178.1 | -49.6 | -58.7 | -158.2 | -165 | -3.9 | 113.5 | A103 Y104 E106 A107 D582 V681 L682 R683 I687 | A103-R685 VanDerWaalsContact CA-NH1 3.3Å; A103-R685 WeakPolarHBondContact O-CD 3.38Å; A103-R685 PolarHBondContact O-NH1 3.5Å; Y104-R685 WeakPolarHBondContact CD2-O 3.36Å; Y104-R685 WeakPolarHBondContact CE2-O 3.11Å; E106-R685 PolarHBondContact O-NE 2.82Å; E106-R685 PolarHBondContact O-NH1 2.78Å; A107-R685 HydrophobicContact CB-CB 3.79Å; A107-R685 HydrophobicContact CB-CG 3.8Å; D582-R685 IonicContact OD2-CZ 2.83Å; D582-R685 VanDerWaalsContact OD2-CZ 3.24Å; D582-R685 IonicContact OD2-NH1 3.4Å; D582-R685 PolarHBondContact OD2-NH1 3.3Å; D582-R685 IonicContact OD2-NH2 3.6Å; D582-R685 PolarHBondContact OD2-NH2 2.7Å; V681-R685 HydrophobicContact CG1-CG 3.66Å; V681-R685 WeakPolarHBondContact O-CA 3.47Å; V681-R685 VanDerWaalsContact O-CB 3.26Å; V681-R685 WeakPolarHBondContact O-CB 3.06Å; V681-R685 WeakPolarHBondContact O-CG 2.9Å; V681-R685 PolarHBondContact O-N 2.84Å; L682-R685 CarbonylContact O-C 3.5Å; L682-R685 VanDerWaalsContact O-C 3.29Å; R683-R685 PolarHBondContact O-N 2.69Å; R685-I687 HydrophobicContact CB-CD1 3.58Å; R685-I687 WeakPolarHBondContact O-CD1 3.24Å; R685-I687 VanDerWaalsContact O-CG1 3.3Å; R685-I687 WeakPolarHBondContact O-CG1 3.26Å; R685-I687 PolarHBondContact O-N 2.97Å |
| 686 | N | 70.5 | Confident | 80.6 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 27.7 | 40.8 | 178.2 | -66.5 | -91.2 | 0 | 0 | 0 | 117.2 | M1 Y104 R108 L682 R683 | M1-N686 HydrophobicContact CB-CB 4.46Å; M1-N686 VanDerWaalsContact CB-OD1 3.27Å; M1-N686 WeakPolarHBondContact CB-OD1 3.41Å; M1-N686 WeakPolarHBondContact CG-OD1 3.23Å; M1-N686 PolarHBondContact SD-ND2 3.28Å; Y104-N686 VanDerWaalsContact CB-ND2 3.34Å; Y104-N686 WeakPolarHBondContact CB-ND2 3.19Å; Y104-N686 HydrophobicContact CD1-CB 3.83Å; Y104-N686 HydrophobicContact CD2-CB 3.65Å; Y104-N686 HydrophobicContact CE1-CB 3.8Å; Y104-N686 HydrophobicContact CE2-CB 3.6Å; Y104-N686 HydrophobicContact CG-CB 3.72Å; Y104-N686 VanDerWaalsContact CG-ND2 3.35Å; R108-N686 PolarHBondContact NH2-O 3.12Å; R108-N686 VanDerWaalsContact NH2-O 3.1Å; L682-N686 WeakPolarHBondContact O-CA 3.47Å; L682-N686 PolarHBondContact O-N 3.45Å; R683-N686 PolarHBondContact O-N 3.2Å; R683-N686 PolarHBondContact O-ND2 2.9Å |
| 687 | I | 75.2 | Confident | 80.6 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 17% | 0.169 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -84.9 | -32 | 164.1 | -58.9 | 121.5 | 0 | 0 | 0 | 108.2 | L682 R685 L699 V867 | L682-I687 HydrophobicContact CD2-CD1 3.82Å; L682-I687 PolarHBondContact O-N 3.06Å; R685-I687 HydrophobicContact CB-CD1 3.58Å; R685-I687 WeakPolarHBondContact O-CD1 3.24Å; R685-I687 VanDerWaalsContact O-CG1 3.3Å; R685-I687 WeakPolarHBondContact O-CG1 3.26Å; R685-I687 PolarHBondContact O-N 2.97Å; I687-L699 HydrophobicContact CG2-CD1 4.04Å; I687-L699 HydrophobicContact CG2-CD2 3.66Å; I687-V867 HydrophobicContact CD1-CB 3.65Å; I687-V867 HydrophobicContact CD1-CG2 3.49Å; I687-V867 VanDerWaalsContact CD1-CG2 3.49Å; I687-V867 HydrophobicContact CG1-CB 3.97Å; I687-V867 HydrophobicContact CG1-CG2 4.35Å; I687-V867 HydrophobicContact CG2-CB 4.36Å; I687-V867 HydrophobicContact CG2-CG1 4.13Å |
| 688 | L | 76.5 | Confident | 80.5 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -88.9 | 133.5 | 161.1 | -57.3 | 175.3 | 0 | 0 | 0 | 109.9 | K679 L682 R683 E695 F696 L699 | K679-L688 HydrophobicContact CG-CD1 3.95Å; L682-L688 HydrophobicContact CB-CD1 3.79Å; L682-L688 HydrophobicContact CB-CG 3.85Å; L682-L688 HydrophobicContact CD1-CD1 4.49Å; L682-L688 PolarHBondContact O-N 3.03Å; R683-L688 HydrophobicContact CG-CB 3.96Å; R683-L688 HydrophobicContact CG-CD1 4.08Å; L688-E695 HydrophobicContact CD2-CG 4.19Å; L688-F696 HydrophobicContact CD1-CB 3.88Å; L688-F696 HydrophobicContact CD1-CD2 3.7Å; L688-F696 HydrophobicContact CD1-CE2 4.49Å; L688-F696 HydrophobicContact CD1-CG 3.94Å; L688-F696 HydrophobicContact CD2-CB 4.15Å; L688-F696 HydrophobicContact CD2-CD2 4.25Å; L688-L699 HydrophobicContact CD2-CB 3.91Å; L688-L699 HydrophobicContact CD2-CD2 3.6Å; L688-L699 HydrophobicContact CD2-CG 4.4Å; L688-L699 HydrophobicContact CG-CD2 4.23Å |
| 689 | S | 63.6 | Low | 80.3 | Confident | 60 Ų | 60 | 39 Ų | 39 | 42% | 0.42 | 21% | 0.207 | S | C | . | . | trans | -92.6 | -6.5 | 179.5 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | K21 E695 | K21-S689 PolarHBondContact NZ-OG 2.87Å; S689-E695 WeakPolarHBondContact CA-OE1 3.13Å; S689-E695 VanDerWaalsContact CB-OE1 3.23Å; S689-E695 WeakPolarHBondContact CB-OE1 3.19Å; S689-E695 VanDerWaalsContact N-CD 3.27Å; S689-E695 PolarHBondContact N-OE1 3.3Å; S689-E695 PolarHBondContact N-OE2 3.41Å; S689-E695 PolarHBondContact OG-OE1 3.05Å | ||
| 690 | T | 62.2 | Low | 80.3 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -142.2 | 177.1 | -176.7 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | R683 S692 E695 | R683-T690 WeakPolarHBondContact CD-O 3.38Å; R683-T690 WeakPolarHBondContact CG-O 3.41Å; R683-T690 PolarHBondContact NE-O 3.34Å; T690-S692 VanDerWaalsContact C-N 3.27Å; T690-S692 VanDerWaalsContact OG1-CB 3.23Å; T690-S692 WeakPolarHBondContact OG1-CB 3.43Å; T690-S692 PolarHBondContact OG1-N 2.96Å; T690-S692 VanDerWaalsContact OG1-N 3.09Å; T690-E695 WeakPolarHBondContact CA-OE2 3.3Å; T690-E695 VanDerWaalsContact CB-OE2 3.23Å; T690-E695 WeakPolarHBondContact CB-OE2 2.96Å; T690-E695 WeakPolarHBondContact CG2-OE2 3.3Å; T690-E695 PolarHBondContact N-OE2 3.2Å; T690-E695 PolarHBondContact OG1-OE2 3.26Å |
| 691 | S | 64.8 | Low | 80.4 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -75.2 | -7.9 | 168.9 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | E28 K679 | E28-S691 PolarHBondContact OE2-OG 2.76Å; K679-S691 WeakPolarHBondContact CE-O 3.26Å; K679-S691 PolarHBondContact NZ-O 2.72Å |
| 692 | S | 75.5 | Confident | 80.5 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | trans | -68 | 145 | -160.3 | -151.6 | 0 | 0 | 0 | 0 | 113.6 | R24 K679 T690 S694 | R24-S692 PolarHBondContact NH2-OG 2.91Å; R24-S692 VanDerWaalsContact NH2-OG 3.15Å; K679-S692 VanDerWaalsContact CE-O 3.27Å; K679-S692 WeakPolarHBondContact CE-O 3.46Å; K679-S692 PolarHBondContact NZ-O 3.32Å; T690-S692 VanDerWaalsContact C-N 3.27Å; T690-S692 VanDerWaalsContact OG1-CB 3.23Å; T690-S692 WeakPolarHBondContact OG1-CB 3.43Å; T690-S692 PolarHBondContact OG1-N 2.96Å; T690-S692 VanDerWaalsContact OG1-N 3.09Å; S692-S694 PolarHBondContact OG-OG 3.38Å | ||
| 693 | K | 80.9 | Confident | 80.4 | Confident | 106 Ų | 106 | 41 Ų | 41 | 46% | 0.461 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 167.9 | -74 | -172.5 | 173.5 | -173.7 | 0 | 110.9 | E671 F696 R697 | E671-K693 WeakPolarHBondContact OE1-CE 3.26Å; E671-K693 IonicContact OE1-NZ 2.75Å; E671-K693 PolarHBondContact OE1-NZ 2.99Å; E671-K693 IonicContact OE2-NZ 2.76Å; E671-K693 PolarHBondContact OE2-NZ 3.26Å; K693-F696 PolarHBondContact O-N 2.85Å; K693-R697 PolarHBondContact O-N 3.29Å |
| 694 | S | 85.2 | Confident | 80.6 | Confident | 85 Ų | 85 | 36.4 Ų | 36.4 | 59% | 0.594 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.5 | -36.5 | -177.9 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | S692 F696 G698 | S692-S694 PolarHBondContact OG-OG 3.38Å; S694-F696 VanDerWaalsContact C-N 3.34Å; S694-G698 PolarHBondContact O-N 2.85Å |
| 695 | E | 85.5 | Confident | 81 | Confident | 55 Ų | 55 | 35 Ų | 35 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 173.8 | -174.2 | -177.2 | -154.5 | 0 | 0 | 111.7 | L688 S689 T690 G698 L699 | L688-E695 HydrophobicContact CD2-CG 4.19Å; S689-E695 WeakPolarHBondContact CA-OE1 3.13Å; S689-E695 VanDerWaalsContact CB-OE1 3.23Å; S689-E695 WeakPolarHBondContact CB-OE1 3.19Å; S689-E695 VanDerWaalsContact N-CD 3.27Å; S689-E695 PolarHBondContact N-OE1 3.3Å; S689-E695 PolarHBondContact N-OE2 3.41Å; S689-E695 PolarHBondContact OG-OE1 3.05Å; T690-E695 WeakPolarHBondContact CA-OE2 3.3Å; T690-E695 VanDerWaalsContact CB-OE2 3.23Å; T690-E695 WeakPolarHBondContact CB-OE2 2.96Å; T690-E695 WeakPolarHBondContact CG2-OE2 3.3Å; T690-E695 PolarHBondContact N-OE2 3.2Å; T690-E695 PolarHBondContact OG1-OE2 3.26Å; E695-G698 PolarHBondContact O-N 3.46Å; E695-L699 WeakPolarHBondContact O-CB 3.12Å; E695-L699 PolarHBondContact O-N 3.35Å |
| 696 | F | 90.5 | Very high | 81.3 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 176.1 | -178.2 | -145.1 | 0 | 0 | 0 | 111.7 | L670 M675 L678 K679 L682 L688 K693 S694 L699 L700 | L670-F696 HydrophobicContact CD2-CD1 3.46Å; L670-F696 VanDerWaalsContact CD2-CD1 3.46Å; L670-F696 HydrophobicContact CD2-CE1 3.3Å; L670-F696 HydrophobicContact CD2-CG 4.26Å; L670-F696 HydrophobicContact CD2-CZ 3.99Å; M675-F696 HydrophobicContact CB-CE1 4.26Å; M675-F696 HydrophobicContact CB-CZ 4.33Å; M675-F696 HydrophobicContact CE-CZ 3.94Å; M675-F696 VanDerWaalsContact O-CE1 3.3Å; M675-F696 WeakPolarHBondContact O-CE1 3.43Å; M675-F696 WeakPolarHBondContact O-CZ 3.14Å; L678-F696 HydrophobicContact CB-CZ 4.13Å; L678-F696 HydrophobicContact CD2-CE2 3.79Å; L678-F696 HydrophobicContact CD2-CZ 3.75Å; L678-F696 HydrophobicContact CG-CE2 4.05Å; L678-F696 HydrophobicContact CG-CZ 3.99Å; K679-F696 HydrophobicContact CB-CD1 3.8Å; K679-F696 HydrophobicContact CB-CE1 3.57Å; K679-F696 HydrophobicContact CB-CG 4.37Å; K679-F696 HydrophobicContact CB-CZ 3.96Å; K679-F696 HydrophobicContact CD-CB 4.44Å; K679-F696 HydrophobicContact CD-CD1 3.63Å; K679-F696 HydrophobicContact CD-CE1 4.15Å; K679-F696 HydrophobicContact CD-CG 4.25Å; K679-F696 HydrophobicContact CG-CB 4.37Å; K679-F696 HydrophobicContact CG-CD1 3.66Å; K679-F696 HydrophobicContact CG-CE1 3.99Å; K679-F696 HydrophobicContact CG-CG 3.97Å; L682-F696 HydrophobicContact CD1-CD2 4.22Å; L682-F696 HydrophobicContact CD1-CE2 3.77Å; L688-F696 HydrophobicContact CD1-CB 3.88Å; L688-F696 HydrophobicContact CD1-CD2 3.7Å; L688-F696 HydrophobicContact CD1-CE2 4.49Å; L688-F696 HydrophobicContact CD1-CG 3.94Å; L688-F696 HydrophobicContact CD2-CB 4.15Å; L688-F696 HydrophobicContact CD2-CD2 4.25Å; K693-F696 PolarHBondContact O-N 2.85Å; S694-F696 VanDerWaalsContact C-N 3.34Å; F696-L699 PolarHBondContact O-N 2.82Å; F696-L700 HydrophobicContact CD2-CD1 4.15Å; F696-L700 HydrophobicContact CD2-CG 4.26Å; F696-L700 HydrophobicContact CE2-CD1 3.82Å; F696-L700 HydrophobicContact CE2-CD2 4.31Å; F696-L700 HydrophobicContact CE2-CG 4.08Å; F696-L700 HydrophobicContact CZ-CD1 4.06Å; F696-L700 WeakPolarHBondContact O-CG 3.31Å; F696-L700 PolarHBondContact O-N 2.88Å; F696-L700 VanDerWaalsContact O-N 3.08Å |
| 697 | R | 92.8 | Very high | 81.7 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 19% | 0.185 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.1 | -51.1 | 169.4 | -176.9 | 166.6 | -68.8 | 179.3 | -1.4 | 111.3 | E663 L666 N667 L670 K693 L699 L700 K701 | E663-R697 WeakPolarHBondContact OE2-CD 3.3Å; E663-R697 IonicContact OE2-CZ 2.69Å; E663-R697 IonicContact OE2-NE 3.18Å; E663-R697 IonicContact OE2-NH1 3.03Å; E663-R697 PolarHBondContact OE2-NH1 3.05Å; L666-R697 VanDerWaalsContact C-NH2 3.31Å; L666-R697 HydrophobicContact CD1-CG 4.17Å; L666-R697 PolarHBondContact O-NH2 3.16Å; N667-R697 PolarHBondContact OD1-NH1 2.66Å; N667-R697 VanDerWaalsContact OD1-NH1 3.15Å; N667-R697 PolarHBondContact OD1-NH2 3.28Å; L670-R697 HydrophobicContact CD1-CB 3.8Å; L670-R697 HydrophobicContact CD1-CG 4.27Å; K693-R697 PolarHBondContact O-N 3.29Å; R697-L699 VanDerWaalsContact C-N 3.32Å; R697-L699 PolarHBondContact O-N 3.32Å; R697-L700 PolarHBondContact O-N 2.91Å; R697-L700 VanDerWaalsContact O-N 3.1Å; R697-K701 HydrophobicContact CG-CD 4.13Å; R697-K701 HydrophobicContact CG-CG 4.32Å; R697-K701 WeakPolarHBondContact O-CG 3.42Å; R697-K701 PolarHBondContact O-N 2.6Å |
| 698 | G | 89.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 37 Ų | 37 | 40% | 0.402 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -35.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S694 E695 K702 | S694-G698 PolarHBondContact O-N 2.85Å; E695-G698 PolarHBondContact O-N 3.46Å; G698-K702 WeakPolarHBondContact O-CB 3.35Å; G698-K702 PolarHBondContact O-N 3.09Å |
| 699 | L | 88.1 | Confident | 81.1 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -49.5 | 170.9 | 178 | 67.7 | 0 | 0 | 0 | 111.1 | L682 I687 L688 E695 F696 R697 K701 K702 L703 | L682-L699 HydrophobicContact CD1-CD2 3.8Å; I687-L699 HydrophobicContact CG2-CD1 4.04Å; I687-L699 HydrophobicContact CG2-CD2 3.66Å; L688-L699 HydrophobicContact CD2-CB 3.91Å; L688-L699 HydrophobicContact CD2-CD2 3.6Å; L688-L699 HydrophobicContact CD2-CG 4.4Å; L688-L699 HydrophobicContact CG-CD2 4.23Å; E695-L699 WeakPolarHBondContact O-CB 3.12Å; E695-L699 PolarHBondContact O-N 3.35Å; F696-L699 PolarHBondContact O-N 2.82Å; R697-L699 VanDerWaalsContact C-N 3.32Å; R697-L699 PolarHBondContact O-N 3.32Å; L699-K701 PolarHBondContact O-N 3.09Å; L699-K702 PolarHBondContact O-N 2.94Å; L699-K702 VanDerWaalsContact O-N 3.11Å; L699-L703 HydrophobicContact CD1-CD1 3.9Å; L699-L703 HydrophobicContact CD1-CD2 4.4Å; L699-L703 HydrophobicContact CD1-CG 3.95Å; L699-L703 HydrophobicContact CD2-CD1 4.48Å; L699-L703 HydrophobicContact CG-CD1 3.94Å; L699-L703 HydrophobicContact CG-CG 4.26Å; L699-L703 WeakPolarHBondContact O-CG 3.43Å; L699-L703 PolarHBondContact O-N 3.46Å |
| 700 | L | 90 | Very high | 81 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | -179.7 | -65.5 | 169.8 | 0 | 0 | 0 | 111.3 | L666 L670 M675 L678 F696 R697 K702 L703 W704 T863 | L666-L700 HydrophobicContact CD2-CB 4.5Å; L666-L700 HydrophobicContact CD2-CD1 4.39Å; L670-L700 HydrophobicContact CD2-CD1 3.63Å; M675-L700 HydrophobicContact CE-CD1 3.36Å; M675-L700 HydrophobicContact CE-CD2 4.11Å; M675-L700 HydrophobicContact CE-CG 4.39Å; L678-L700 HydrophobicContact CD2-CD2 4.34Å; F696-L700 HydrophobicContact CD2-CD1 4.15Å; F696-L700 HydrophobicContact CD2-CG 4.26Å; F696-L700 HydrophobicContact CE2-CD1 3.82Å; F696-L700 HydrophobicContact CE2-CD2 4.31Å; F696-L700 HydrophobicContact CE2-CG 4.08Å; F696-L700 HydrophobicContact CZ-CD1 4.06Å; F696-L700 WeakPolarHBondContact O-CG 3.31Å; F696-L700 PolarHBondContact O-N 2.88Å; F696-L700 VanDerWaalsContact O-N 3.08Å; R697-L700 PolarHBondContact O-N 2.91Å; R697-L700 VanDerWaalsContact O-N 3.1Å; L700-K702 VanDerWaalsContact C-N 3.29Å; L700-K702 PolarHBondContact O-N 3.33Å; L700-L703 PolarHBondContact O-N 3.39Å; L700-W704 WeakPolarHBondContact O-CB 3.44Å; L700-W704 PolarHBondContact O-N 2.86Å; L700-T863 HydrophobicContact CD2-CG2 4.45Å |
| 701 | K | 90.4 | Very high | 80.7 | Confident | 32 Ų | 32 | 44.3 Ų | 44.3 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -39.5 | 171.6 | -66.6 | -169.3 | 76.5 | 162 | 0 | 112.3 | E659 E663 L666 R697 L699 F705 T706 | E659-K701 IonicContact OE1-NZ 2.71Å; E659-K701 PolarHBondContact OE1-NZ 3.46Å; E659-K701 WeakPolarHBondContact OE2-CE 3.09Å; E659-K701 IonicContact OE2-NZ 2.59Å; E659-K701 PolarHBondContact OE2-NZ 3.28Å; E663-K701 VanDerWaalsContact OE1-CD 3.24Å; E663-K701 WeakPolarHBondContact OE1-CD 3.44Å; E663-K701 WeakPolarHBondContact OE1-CE 3.23Å; E663-K701 IonicContact OE1-NZ 3.26Å; E663-K701 PolarHBondContact OE1-NZ 2.9Å; L666-K701 HydrophobicContact CD1-CD 4.04Å; L666-K701 HydrophobicContact CD1-CG 3.53Å; R697-K701 HydrophobicContact CG-CD 4.13Å; R697-K701 HydrophobicContact CG-CG 4.32Å; R697-K701 WeakPolarHBondContact O-CG 3.42Å; R697-K701 PolarHBondContact O-N 2.6Å; L699-K701 PolarHBondContact O-N 3.09Å; K701-F705 CarbonylContact O-C 3.48Å; K701-F705 WeakPolarHBondContact O-CA 3.47Å; K701-F705 PolarHBondContact O-N 3.12Å; K701-F705 VanDerWaalsContact O-N 3.09Å; K701-T706 PolarHBondContact O-N 3.45Å; K701-T706 VanDerWaalsContact O-N 3.1Å; K701-T706 PolarHBondContact O-OG1 2.7Å |
| 702 | K | 85.7 | Confident | 80.2 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 175.1 | -175 | 163.8 | -177.1 | 169.6 | 0 | 113.8 | G698 L699 L700 T706 | G698-K702 WeakPolarHBondContact O-CB 3.35Å; G698-K702 PolarHBondContact O-N 3.09Å; L699-K702 PolarHBondContact O-N 2.94Å; L699-K702 VanDerWaalsContact O-N 3.11Å; L700-K702 VanDerWaalsContact C-N 3.29Å; L700-K702 PolarHBondContact O-N 3.33Å; K702-T706 WeakPolarHBondContact CA-OG1 3.37Å; K702-T706 WeakPolarHBondContact O-CB 3.23Å; K702-T706 PolarHBondContact O-OG1 2.74Å |
| 703 | L | 84.1 | Confident | 79.3 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -82.3 | -35.6 | -175.5 | -65.8 | -176 | 0 | 0 | 0 | 113.3 | L699 L700 A719 T863 L866 V867 | L699-L703 HydrophobicContact CD1-CD1 3.9Å; L699-L703 HydrophobicContact CD1-CD2 4.4Å; L699-L703 HydrophobicContact CD1-CG 3.95Å; L699-L703 HydrophobicContact CD2-CD1 4.48Å; L699-L703 HydrophobicContact CG-CD1 3.94Å; L699-L703 HydrophobicContact CG-CG 4.26Å; L699-L703 WeakPolarHBondContact O-CG 3.43Å; L699-L703 PolarHBondContact O-N 3.46Å; L700-L703 PolarHBondContact O-N 3.39Å; L703-A719 WeakPolarHBondContact O-CB 3.1Å; L703-T863 HydrophobicContact CD1-CG2 3.97Å; L703-L866 HydrophobicContact CB-CD2 4.44Å; L703-L866 HydrophobicContact CD1-CD2 3.85Å; L703-L866 HydrophobicContact CD2-CD2 3.58Å; L703-L866 HydrophobicContact CG-CD2 4.14Å; L703-V867 HydrophobicContact CD1-CG1 3.95Å |
| 704 | W | 87.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -105.6 | -42.1 | -170.2 | -68.5 | 96.8 | 0 | 0 | 0 | 113.7 | L700 S718 A719 F720 F724 L859 Y862 T863 | L700-W704 WeakPolarHBondContact O-CB 3.44Å; L700-W704 PolarHBondContact O-N 2.86Å; W704-S718 VanDerWaalsContact O-CB 3.31Å; W704-S718 WeakPolarHBondContact O-CB 3.4Å; W704-S718 PolarHBondContact O-OG 3.39Å; W704-A719 HydrophobicContact CE3-CB 4.14Å; W704-A719 PolarHBondContact O-N 2.69Å; W704-F720 HydrophobicContact CB-CB 4.39Å; W704-F720 VanDerWaalsContact O-CB 3.3Å; W704-F720 WeakPolarHBondContact O-CB 3.34Å; W704-F720 PolarHBondContact O-N 2.94Å; W704-F724 HydrophobicContact CE3-CE2 4.17Å; W704-F724 HydrophobicContact CH2-CE2 4.35Å; W704-F724 HydrophobicContact CZ3-CD2 4.33Å; W704-F724 AromaticContact CZ3-CE2 3.83Å; W704-F724 HydrophobicContact CZ3-CE2 3.83Å; W704-L859 HydrophobicContact CD2-CD2 3.43Å; W704-L859 VanDerWaalsContact CD2-CD2 3.43Å; W704-L859 VanDerWaalsContact CE2-CD2 3.41Å; W704-L859 HydrophobicContact CE3-CD2 3.89Å; W704-L859 HydrophobicContact CG-CD2 3.76Å; W704-L859 HydrophobicContact CH2-CD2 4.23Å; W704-L859 HydrophobicContact CZ2-CD2 3.84Å; W704-L859 HydrophobicContact CZ3-CD2 4.26Å; W704-Y862 HydrophobicContact CH2-CD2 4.24Å; W704-Y862 HydrophobicContact CH2-CG 4.18Å; W704-T863 PolarHBondContact NE1-OG1 2.65Å |
| 705 | F | 87.9 | Confident | 77 | Confident | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -110.7 | 4.3 | -167.7 | -62.9 | -79 | 0 | 0 | 0 | 114.3 | L640 I662 F665 L666 K701 F720 | L640-F705 HydrophobicContact CD2-CE1 3.87Å; L640-F705 HydrophobicContact CD2-CZ 4.02Å; I662-F705 HydrophobicContact CD1-CB 4.4Å; I662-F705 HydrophobicContact CD1-CD1 3.78Å; I662-F705 HydrophobicContact CD1-CE1 4.39Å; I662-F705 HydrophobicContact CD1-CG 4.29Å; I662-F705 HydrophobicContact CG1-CD1 3.8Å; I662-F705 HydrophobicContact CG1-CE1 3.92Å; I662-F705 HydrophobicContact CG1-CG 4.44Å; I662-F705 HydrophobicContact CG2-CD1 4.08Å; I662-F705 HydrophobicContact CG2-CD2 4.03Å; I662-F705 HydrophobicContact CG2-CE1 4.26Å; I662-F705 HydrophobicContact CG2-CE2 4.21Å; I662-F705 HydrophobicContact CG2-CG 3.95Å; I662-F705 HydrophobicContact CG2-CZ 4.32Å; F665-F705 HydrophobicContact CD1-CZ 4Å; F665-F705 HydrophobicContact CE1-CZ 4Å; L666-F705 HydrophobicContact CD1-CD2 4.42Å; L666-F705 HydrophobicContact CD1-CE2 4.18Å; L666-F705 HydrophobicContact CD2-CE2 4.33Å; L666-F705 HydrophobicContact CG-CE2 4.4Å; K701-F705 CarbonylContact O-C 3.48Å; K701-F705 WeakPolarHBondContact O-CA 3.47Å; K701-F705 PolarHBondContact O-N 3.12Å; K701-F705 VanDerWaalsContact O-N 3.09Å; F705-F720 HydrophobicContact CD1-CB 3.92Å; F705-F720 HydrophobicContact CD1-CD1 4.28Å; F705-F720 HydrophobicContact CD1-CD2 4.39Å; F705-F720 AromaticContact CD1-CG 3.94Å; F705-F720 HydrophobicContact CD1-CG 3.94Å; F705-F720 HydrophobicContact CE1-CB 3.76Å; F705-F720 AromaticContact CE1-CD1 3.65Å; F705-F720 HydrophobicContact CE1-CD1 3.65Å; F705-F720 AromaticContact CE1-CD2 3.4Å; F705-F720 HydrophobicContact CE1-CD2 3.4Å; F705-F720 VanDerWaalsContact CE1-CD2 3.4Å; F705-F720 HydrophobicContact CE1-CE1 4.07Å; F705-F720 AromaticContact CE1-CE2 3.84Å; F705-F720 HydrophobicContact CE1-CE2 3.84Å; F705-F720 AromaticContact CE1-CG 3.29Å; F705-F720 HydrophobicContact CE1-CG 3.29Å; F705-F720 HydrophobicContact CE1-CZ 4.15Å; F705-F720 HydrophobicContact CE2-CD2 4.35Å; F705-F720 HydrophobicContact CZ-CB 4.31Å; F705-F720 HydrophobicContact CZ-CD1 4.47Å; F705-F720 AromaticContact CZ-CD2 3.39Å; F705-F720 HydrophobicContact CZ-CD2 3.39Å; F705-F720 AromaticContact CZ-CE2 3.73Å; F705-F720 HydrophobicContact CZ-CE2 3.73Å; F705-F720 AromaticContact CZ-CG 3.8Å; F705-F720 HydrophobicContact CZ-CG 3.8Å; F705-F720 HydrophobicContact CZ-CZ 4.41Å |
| 706 | T | 81.4 | Confident | 76.1 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -91.5 | 116.5 | 176 | -60 | 0 | 0 | 0 | 0 | 109.6 | K701 K702 Q895 | K701-T706 PolarHBondContact O-N 3.45Å; K701-T706 VanDerWaalsContact O-N 3.1Å; K701-T706 PolarHBondContact O-OG1 2.7Å; K702-T706 WeakPolarHBondContact CA-OG1 3.37Å; K702-T706 WeakPolarHBondContact O-CB 3.23Å; K702-T706 PolarHBondContact O-OG1 2.74Å; T706-Q895 PolarHBondContact O-NE2 3.1Å |
| 707 | G | 77.4 | Confident | 75.4 | Confident | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | trans | -55.5 | 147.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T717 Q895 | G707-T717 CarbonylContact C-O 3.51Å; G707-T717 VanDerWaalsContact CA-O 3.25Å; G707-T717 WeakPolarHBondContact CA-O 3.48Å; G707-Q895 PolarHBondContact O-NE2 3.39Å; G707-Q895 VanDerWaalsContact O-NE2 3.09Å | ||
| 708 | Y | 71.3 | Confident | 74.9 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -135.9 | 170.3 | 166.1 | 49.7 | -93.2 | 0 | 0 | 0 | 108.9 | R710 L715 D716 T717 S718 A719 L890 Q895 V896 T897 | Y708-R710 HydrophobicContact CD2-CG 4.18Å; Y708-R710 HydrophobicContact CE2-CG 3.94Å; Y708-L715 CarbonylContact O-C 3.42Å; Y708-L715 WeakPolarHBondContact O-CA 3.48Å; Y708-D716 PolarHBondContact O-N 2.94Å; Y708-D716 VanDerWaalsContact O-N 3.1Å; Y708-T717 HydrophobicContact CD2-CG2 3.42Å; Y708-T717 VanDerWaalsContact CD2-CG2 3.42Å; Y708-T717 HydrophobicContact CE2-CG2 3.24Å; Y708-T717 WeakPolarHBondContact CE2-OG1 3.12Å; Y708-T717 HydrophobicContact CG-CG2 4.29Å; Y708-T717 PolarHBondContact N-O 2.91Å; Y708-T717 VanDerWaalsContact O-CG2 3.22Å; Y708-T717 WeakPolarHBondContact O-CG2 3.29Å; Y708-T717 PolarHBondContact O-N 2.81Å; Y708-T717 PolarHBondContact OH-OG1 3.43Å; Y708-S718 VanDerWaalsContact OH-C 3.23Å; Y708-S718 PolarHBondContact OH-O 2.82Å; Y708-A719 PolarHBondContact OH-N 2.73Å; Y708-L890 HydrophobicContact CD2-CD2 4.47Å; Y708-L890 HydrophobicContact CG-CD2 4.37Å; Y708-Q895 HydrophobicContact CD1-CB 4.15Å; Y708-V896 WeakPolarHBondContact CE1-O 3.25Å; Y708-T897 HydrophobicContact CD2-CG2 4.24Å; Y708-T897 HydrophobicContact CE2-CG2 4Å; Y708-T897 PolarHBondContact OH-O 3.17Å |
| 709 | S | 68.7 | Low | 74.7 | Confident | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | trans | -98.7 | 141.2 | 169.1 | -173 | 0 | 0 | 0 | 0 | 109.1 | R711 N713 A714 | S709-R711 PolarHBondContact OG-O 3.03Å; S709-N713 PolarHBondContact OG-N 3.06Å; S709-A714 WeakPolarHBondContact CA-O 3.45Å; S709-A714 WeakPolarHBondContact CB-O 3.49Å; S709-A714 PolarHBondContact OG-O 3.44Å | ||
| 710 | R | 61 | Low | 74.7 | Confident | 72 Ų | 72 | 48.5 Ų | 48.5 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -102.5 | -27.5 | 163.4 | -82.1 | 178.8 | -56.8 | -147.5 | -7.9 | 113.8 | L648 Y708 D716 T717 H722 E727 | L648-R710 VanDerWaalsContact CD1-NH2 3.29Å; Y708-R710 HydrophobicContact CD2-CG 4.18Å; Y708-R710 HydrophobicContact CE2-CG 3.94Å; R710-D716 PolarHBondContact N-OD1 2.87Å; R710-T717 HydrophobicContact CB-CG2 4.41Å; R710-T717 HydrophobicContact CG-CG2 4Å; R710-T717 VanDerWaalsContact CZ-OG1 3.26Å; R710-T717 PolarHBondContact NH2-OG1 3.41Å; R710-T717 VanDerWaalsContact NH2-OG1 3.08Å; R710-H722 PolarHBondContact NH1-ND1 2.75Å; R710-E727 IonicContact CZ-OE1 3.51Å; R710-E727 IonicContact CZ-OE2 2.67Å; R710-E727 VanDerWaalsContact NH1-CD 3.33Å; R710-E727 IonicContact NH1-OE1 2.95Å; R710-E727 PolarHBondContact NH1-OE1 3.49Å; R710-E727 IonicContact NH1-OE2 2.69Å; R710-E727 PolarHBondContact NH1-OE2 3.09Å; R710-E727 IonicContact NH2-OE1 3.5Å; R710-E727 PolarHBondContact NH2-OE1 2.79Å; R710-E727 IonicContact NH2-OE2 2.77Å; R710-E727 PolarHBondContact NH2-OE2 3.49Å |
| 711 | R | 57.1 | Low | 74.6 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 50% | 0.502 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -146.5 | 144.1 | 173 | -66.1 | -173.2 | 177.7 | -166.4 | 2.8 | 108.9 | S709 N713 Y729 E730 | S709-R711 PolarHBondContact OG-O 3.03Å; R711-N713 PolarHBondContact O-N 3.25Å; R711-Y729 WeakPolarHBondContact CD-OH 3.33Å; R711-Y729 PolarHBondContact NH1-OH 2.94Å; R711-E730 IonicContact NH1-OE1 3.57Å; R711-E730 PolarHBondContact NH1-OE1 3.2Å; R711-E730 VanDerWaalsContact NH1-OE1 3.08Å |
| 712 | E | 54.3 | Low | 74.4 | Confident | 176 Ų | 176 | 48.1 Ų | 48.1 | 82% | 0.822 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 51.9 | 160.5 | -61.7 | 176.7 | -177.8 | 0 | 0 | 117 | A714 | E712-A714 PolarHBondContact O-N 3.24Š|
| 713 | N | 55.3 | Low | 74.6 | Confident | 163 Ų | 163 | 43.1 Ų | 43.1 | 87% | 0.872 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -13.7 | 165.4 | -70.5 | -20.5 | 0 | 0 | 0 | 118.2 | S709 R711 | S709-N713 PolarHBondContact OG-N 3.06Å; R711-N713 PolarHBondContact O-N 3.25Å |
| 714 | A | 56.5 | Low | 74.9 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | trans | -71.3 | 131.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | S709 E712 D716 | S709-A714 WeakPolarHBondContact CA-O 3.45Å; S709-A714 WeakPolarHBondContact CB-O 3.49Å; S709-A714 PolarHBondContact OG-O 3.44Å; E712-A714 PolarHBondContact O-N 3.24Å; A714-D716 HydrophobicContact CB-CB 4Å; A714-D716 PolarHBondContact O-N 2.78Å | ||
| 715 | L | 61.4 | Low | 75 | Confident | 117 Ų | 117 | 42.3 Ų | 42.3 | 61% | 0.613 | 22% | 0.219 | S | C | * | . | trans | -78.9 | 79.2 | 167.1 | -64.4 | 175.2 | 0 | 0 | 0 | 107.8 | Y708 | Y708-L715 CarbonylContact O-C 3.42Å; Y708-L715 WeakPolarHBondContact O-CA 3.48Å | ||
| 716 | D | 67.6 | Low | 75 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | trans | -106.6 | 7 | -161.5 | 74 | -48.8 | 0 | 0 | 0 | 114.6 | L648 Y708 R710 A714 | L648-D716 WeakPolarHBondContact CD2-O 3.12Å; Y708-D716 PolarHBondContact O-N 2.94Å; Y708-D716 VanDerWaalsContact O-N 3.1Å; R710-D716 PolarHBondContact N-OD1 2.87Å; A714-D716 HydrophobicContact CB-CB 4Å; A714-D716 PolarHBondContact O-N 2.78Å | ||
| 717 | T | 75 | Confident | 75.1 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -159.1 | 147.1 | -172.6 | 166.8 | 0 | 0 | 0 | 0 | 112.6 | G707 Y708 R710 E721 E727 | G707-T717 CarbonylContact C-O 3.51Å; G707-T717 VanDerWaalsContact CA-O 3.25Å; G707-T717 WeakPolarHBondContact CA-O 3.48Å; Y708-T717 HydrophobicContact CD2-CG2 3.42Å; Y708-T717 VanDerWaalsContact CD2-CG2 3.42Å; Y708-T717 HydrophobicContact CE2-CG2 3.24Å; Y708-T717 WeakPolarHBondContact CE2-OG1 3.12Å; Y708-T717 HydrophobicContact CG-CG2 4.29Å; Y708-T717 PolarHBondContact N-O 2.91Å; Y708-T717 VanDerWaalsContact O-CG2 3.22Å; Y708-T717 WeakPolarHBondContact O-CG2 3.29Å; Y708-T717 PolarHBondContact O-N 2.81Å; Y708-T717 PolarHBondContact OH-OG1 3.43Å; R710-T717 HydrophobicContact CB-CG2 4.41Å; R710-T717 HydrophobicContact CG-CG2 4Å; R710-T717 VanDerWaalsContact CZ-OG1 3.26Å; R710-T717 PolarHBondContact NH2-OG1 3.41Å; R710-T717 VanDerWaalsContact NH2-OG1 3.08Å; T717-E721 WeakPolarHBondContact CA-OE2 3.19Å; T717-E727 WeakPolarHBondContact CB-OE1 3.36Å; T717-E727 PolarHBondContact OG1-OE1 3.2Å |
| 718 | S | 83.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -125.9 | 169 | 161.2 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | W704 Y708 F720 E721 H722 | W704-S718 VanDerWaalsContact O-CB 3.31Å; W704-S718 WeakPolarHBondContact O-CB 3.4Å; W704-S718 PolarHBondContact O-OG 3.39Å; Y708-S718 VanDerWaalsContact OH-C 3.23Å; Y708-S718 PolarHBondContact OH-O 2.82Å; S718-F720 VanDerWaalsContact C-N 3.25Å; S718-F720 PolarHBondContact O-N 3.31Å; S718-F720 PolarHBondContact OG-N 3.07Å; S718-E721 WeakPolarHBondContact CB-OE1 3.32Å; S718-E721 VanDerWaalsContact N-CD 3.28Å; S718-E721 PolarHBondContact N-OE1 2.6Å; S718-E721 PolarHBondContact N-OE2 3.23Å; S718-E721 WeakPolarHBondContact O-CB 3.44Å; S718-E721 PolarHBondContact O-N 2.77Å; S718-E721 PolarHBondContact OG-N 3.19Å; S718-E721 PolarHBondContact OG-OE1 2.8Å; S718-H722 PolarHBondContact O-N 2.68Å | ||
| 719 | A | 83.8 | Confident | 75.6 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.5 | -27.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L703 W704 Y708 Y723 V896 | L703-A719 WeakPolarHBondContact O-CB 3.1Å; W704-A719 HydrophobicContact CE3-CB 4.14Å; W704-A719 PolarHBondContact O-N 2.69Å; Y708-A719 PolarHBondContact OH-N 2.73Å; A719-Y723 WeakPolarHBondContact O-CB 3.32Å; A719-Y723 PolarHBondContact O-N 2.89Å; A719-V896 HydrophobicContact CB-CB 3.58Å; A719-V896 HydrophobicContact CB-CG1 4.07Å; A719-V896 HydrophobicContact CB-CG2 4.32Å |
| 720 | F | 89.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 170.4 | -177.5 | -92.8 | 0 | 0 | 0 | 110.4 | L637 L640 T641 Y644 F665 W704 F705 S718 H722 Y723 F724 V725 | L637-F720 HydrophobicContact CD1-CE2 4.02Å; L637-F720 HydrophobicContact CD1-CZ 3.88Å; L640-F720 HydrophobicContact CD2-CE1 4.1Å; L640-F720 HydrophobicContact CD2-CE2 4.13Å; L640-F720 HydrophobicContact CD2-CZ 3.62Å; L640-F720 HydrophobicContact CG-CE1 3.92Å; L640-F720 HydrophobicContact CG-CZ 3.8Å; T641-F720 HydrophobicContact CG2-CE1 3.96Å; T641-F720 HydrophobicContact CG2-CZ 3.86Å; Y644-F720 HydrophobicContact CD2-CE1 4.38Å; Y644-F720 HydrophobicContact CE1-CD1 4.4Å; Y644-F720 AromaticContact CE2-CD1 3.95Å; Y644-F720 HydrophobicContact CE2-CD1 3.95Å; Y644-F720 AromaticContact CE2-CE1 3.68Å; Y644-F720 HydrophobicContact CE2-CE1 3.68Å; Y644-F720 AromaticContact CZ-CD1 3.74Å; Y644-F720 AromaticContact CZ-CE1 3.97Å; F665-F720 AromaticContact CE1-CE2 3.96Å; F665-F720 HydrophobicContact CE1-CE2 3.96Å; F665-F720 HydrophobicContact CZ-CE2 4.27Å; W704-F720 HydrophobicContact CB-CB 4.39Å; W704-F720 VanDerWaalsContact O-CB 3.3Å; W704-F720 WeakPolarHBondContact O-CB 3.34Å; W704-F720 PolarHBondContact O-N 2.94Å; F705-F720 HydrophobicContact CD1-CB 3.92Å; F705-F720 HydrophobicContact CD1-CD1 4.28Å; F705-F720 HydrophobicContact CD1-CD2 4.39Å; F705-F720 AromaticContact CD1-CG 3.94Å; F705-F720 HydrophobicContact CD1-CG 3.94Å; F705-F720 HydrophobicContact CE1-CB 3.76Å; F705-F720 AromaticContact CE1-CD1 3.65Å; F705-F720 HydrophobicContact CE1-CD1 3.65Å; F705-F720 AromaticContact CE1-CD2 3.4Å; F705-F720 HydrophobicContact CE1-CD2 3.4Å; F705-F720 VanDerWaalsContact CE1-CD2 3.4Å; F705-F720 HydrophobicContact CE1-CE1 4.07Å; F705-F720 AromaticContact CE1-CE2 3.84Å; F705-F720 HydrophobicContact CE1-CE2 3.84Å; F705-F720 AromaticContact CE1-CG 3.29Å; F705-F720 HydrophobicContact CE1-CG 3.29Å; F705-F720 HydrophobicContact CE1-CZ 4.15Å; F705-F720 HydrophobicContact CE2-CD2 4.35Å; F705-F720 HydrophobicContact CZ-CB 4.31Å; F705-F720 HydrophobicContact CZ-CD1 4.47Å; F705-F720 AromaticContact CZ-CD2 3.39Å; F705-F720 HydrophobicContact CZ-CD2 3.39Å; F705-F720 AromaticContact CZ-CE2 3.73Å; F705-F720 HydrophobicContact CZ-CE2 3.73Å; F705-F720 AromaticContact CZ-CG 3.8Å; F705-F720 HydrophobicContact CZ-CG 3.8Å; F705-F720 HydrophobicContact CZ-CZ 4.41Å; S718-F720 VanDerWaalsContact C-N 3.25Å; S718-F720 PolarHBondContact O-N 3.31Å; S718-F720 PolarHBondContact OG-N 3.07Å; F720-H722 PolarHBondContact O-N 3.39Å; F720-Y723 PolarHBondContact O-N 3.42Å; F720-F724 HydrophobicContact CD2-CB 4.16Å; F720-F724 AromaticContact CD2-CD2 3.44Å; F720-F724 HydrophobicContact CD2-CD2 3.44Å; F720-F724 VanDerWaalsContact CD2-CD2 3.44Å; F720-F724 HydrophobicContact CD2-CE2 4.14Å; F720-F724 HydrophobicContact CD2-CG 4.06Å; F720-F724 HydrophobicContact CE1-CB 4.28Å; F720-F724 HydrophobicContact CE2-CB 3.92Å; F720-F724 AromaticContact CE2-CD2 3.66Å; F720-F724 HydrophobicContact CE2-CD2 3.66Å; F720-F724 HydrophobicContact CE2-CE2 4.37Å; F720-F724 AromaticContact CE2-CG 3.86Å; F720-F724 HydrophobicContact CE2-CG 3.86Å; F720-F724 HydrophobicContact CG-CB 4.45Å; F720-F724 HydrophobicContact CG-CD2 4.19Å; F720-F724 HydrophobicContact CZ-CB 3.98Å; F720-F724 HydrophobicContact CZ-CG 4.39Å; F720-F724 WeakPolarHBondContact O-CA 3.12Å; F720-F724 VanDerWaalsContact O-CB 3.32Å; F720-F724 WeakPolarHBondContact O-CB 3.24Å; F720-F724 PolarHBondContact O-N 2.71Å; F720-V725 HydrophobicContact CD1-CG2 4.16Å; F720-V725 HydrophobicContact CE1-CG2 4.04Å; F720-V725 PolarHBondContact O-N 3.23Å |
| 721 | E | 87.6 | Confident | 77.2 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -58.4 | -49.3 | 173.5 | -74.2 | 139.6 | -109.8 | 0 | 0 | 111.6 | Y644 T717 S718 Y723 V725 G726 E727 | Y644-E721 HydrophobicContact CD1-CG 3.22Å; Y644-E721 HydrophobicContact CE1-CG 3.47Å; Y644-E721 VanDerWaalsContact CE1-CG 3.47Å; Y644-E721 VanDerWaalsContact CE1-OE1 3.28Å; Y644-E721 WeakPolarHBondContact CE1-OE1 3.42Å; Y644-E721 HydrophobicContact CG-CG 4.16Å; T717-E721 WeakPolarHBondContact CA-OE2 3.19Å; S718-E721 WeakPolarHBondContact CB-OE1 3.32Å; S718-E721 VanDerWaalsContact N-CD 3.28Å; S718-E721 PolarHBondContact N-OE1 2.6Å; S718-E721 PolarHBondContact N-OE2 3.23Å; S718-E721 WeakPolarHBondContact O-CB 3.44Å; S718-E721 PolarHBondContact O-N 2.77Å; S718-E721 PolarHBondContact OG-N 3.19Å; S718-E721 PolarHBondContact OG-OE1 2.8Å; E721-Y723 PolarHBondContact O-N 2.87Å; E721-V725 HydrophobicContact CB-CB 4.41Å; E721-V725 HydrophobicContact CB-CG2 4.47Å; E721-V725 HydrophobicContact CG-CG2 4.22Å; E721-V725 WeakPolarHBondContact O-CA 3.49Å; E721-V725 WeakPolarHBondContact O-CB 3.41Å; E721-V725 PolarHBondContact O-N 2.6Å; E721-G726 PolarHBondContact O-N 3.05Å; E721-E727 HydrophobicContact CB-CG 4.12Å |
| 722 | H | 85.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -57.9 | -43.8 | -179.1 | -173.5 | 80.3 | 0 | 0 | 0 | 114.1 | R710 S718 F720 E727 S734 G735 L736 T898 | R710-H722 PolarHBondContact NH1-ND1 2.75Å; S718-H722 PolarHBondContact O-N 2.68Å; F720-H722 PolarHBondContact O-N 3.39Å; H722-E727 WeakPolarHBondContact CA-OE2 3.35Å; H722-E727 WeakPolarHBondContact CB-OE2 3.36Å; H722-E727 IonicContact CE1-OE2 3.41Å; H722-E727 IonicContact CG-OE2 3.5Å; H722-E727 VanDerWaalsContact CG-OE2 3.32Å; H722-E727 IonicContact ND1-OE2 3.42Å; H722-E727 PolarHBondContact ND1-OE2 2.84Å; H722-S734 PolarHBondContact CE1-O 2.95Å; H722-G735 VanDerWaalsContact CE1-CA 3.45Å; H722-G735 WeakPolarHBondContact CE1-CA 3.33Å; H722-G735 CarbonylContact O-C 3.6Å; H722-G735 WeakPolarHBondContact O-CA 3.46Å; H722-L736 PolarHBondContact O-N 2.67Å; H722-T898 WeakPolarHBondContact NE2-CA 3.15Å; H722-T898 WeakPolarHBondContact NE2-CG2 3.4Å |
| 723 | Y | 89.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -88.4 | -48.5 | -176.7 | -171.9 | -95.2 | 0 | 0 | 0 | 112.9 | A719 F720 E721 H737 N738 D858 Y862 A899 | A719-Y723 WeakPolarHBondContact O-CB 3.32Å; A719-Y723 PolarHBondContact O-N 2.89Å; F720-Y723 PolarHBondContact O-N 3.42Å; E721-Y723 PolarHBondContact O-N 2.87Å; Y723-H737 HydrophobicContact CD2-CB 3.52Å; Y723-H737 HydrophobicContact CE2-CB 3.38Å; Y723-H737 HydrophobicContact CG-CB 4.42Å; Y723-H737 PolarHBondContact O-N 2.89Å; Y723-H737 PolarHBondContact OH-O 3.45Å; Y723-N738 HydrophobicContact CD1-CB 4.05Å; Y723-N738 HydrophobicContact CE1-CB 3.64Å; Y723-N738 PolarHBondContact O-N 3.48Å; Y723-D858 HydrophobicContact CE1-CB 3.81Å; Y723-D858 WeakPolarHBondContact CE1-OD2 3.12Å; Y723-D858 VanDerWaalsContact OH-CG 3.3Å; Y723-D858 PolarHBondContact OH-OD2 2.83Å; Y723-Y862 HydrophobicContact CD2-CD2 4.42Å; Y723-Y862 HydrophobicContact CD2-CE2 4.03Å; Y723-Y862 HydrophobicContact CE1-CD2 4.38Å; Y723-Y862 AromaticContact CE1-CE2 3.95Å; Y723-Y862 HydrophobicContact CE1-CE2 3.95Å; Y723-Y862 HydrophobicContact CE2-CD2 4.09Å; Y723-Y862 HydrophobicContact CE2-CE1 4.27Å; Y723-Y862 AromaticContact CE2-CE2 3.29Å; Y723-Y862 HydrophobicContact CE2-CE2 3.29Å; Y723-Y862 AromaticContact CE2-CZ 3.38Å; Y723-Y862 WeakPolarHBondContact CE2-OH 3.47Å; Y723-Y862 AromaticContact CZ-CE2 3.25Å; Y723-Y862 AromaticContact CZ-CZ 3.78Å; Y723-Y862 WeakPolarHBondContact OH-CE2 3.15Å; Y723-Y862 PolarHBondContact OH-OH 3.1Å; Y723-A899 WeakPolarHBondContact CD2-O 3.32Å |
| 724 | F | 91.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -98.4 | -20.1 | -169.3 | -67.8 | -77.8 | 0 | 0 | 0 | 115.5 | L637 T641 W704 F720 N738 R741 A855 D858 L859 | L637-F724 HydrophobicContact CD1-CB 4.34Å; L637-F724 HydrophobicContact CD1-CD1 3.79Å; L637-F724 HydrophobicContact CD1-CE1 4.38Å; L637-F724 HydrophobicContact CD1-CG 4.18Å; L637-F724 HydrophobicContact CD2-CD1 4.26Å; T641-F724 HydrophobicContact CG2-CB 4.17Å; T641-F724 WeakPolarHBondContact CG2-O 3.23Å; W704-F724 HydrophobicContact CE3-CE2 4.17Å; W704-F724 HydrophobicContact CH2-CE2 4.35Å; W704-F724 HydrophobicContact CZ3-CD2 4.33Å; W704-F724 AromaticContact CZ3-CE2 3.83Å; W704-F724 HydrophobicContact CZ3-CE2 3.83Å; F720-F724 HydrophobicContact CD2-CB 4.16Å; F720-F724 AromaticContact CD2-CD2 3.44Å; F720-F724 HydrophobicContact CD2-CD2 3.44Å; F720-F724 VanDerWaalsContact CD2-CD2 3.44Å; F720-F724 HydrophobicContact CD2-CE2 4.14Å; F720-F724 HydrophobicContact CD2-CG 4.06Å; F720-F724 HydrophobicContact CE1-CB 4.28Å; F720-F724 HydrophobicContact CE2-CB 3.92Å; F720-F724 AromaticContact CE2-CD2 3.66Å; F720-F724 HydrophobicContact CE2-CD2 3.66Å; F720-F724 HydrophobicContact CE2-CE2 4.37Å; F720-F724 AromaticContact CE2-CG 3.86Å; F720-F724 HydrophobicContact CE2-CG 3.86Å; F720-F724 HydrophobicContact CG-CB 4.45Å; F720-F724 HydrophobicContact CG-CD2 4.19Å; F720-F724 HydrophobicContact CZ-CB 3.98Å; F720-F724 HydrophobicContact CZ-CG 4.39Å; F720-F724 WeakPolarHBondContact O-CA 3.12Å; F720-F724 VanDerWaalsContact O-CB 3.32Å; F720-F724 WeakPolarHBondContact O-CB 3.24Å; F720-F724 PolarHBondContact O-N 2.71Å; F724-N738 HydrophobicContact CD1-CB 3.64Å; F724-N738 HydrophobicContact CE1-CB 4.1Å; F724-N738 HydrophobicContact CG-CB 4.43Å; F724-R741 WeakPolarHBondContact O-CB 3.49Å; F724-R741 WeakPolarHBondContact O-CG 3.21Å; F724-A855 HydrophobicContact CE1-CB 4.41Å; F724-D858 HydrophobicContact CE1-CB 4.22Å; F724-D858 HydrophobicContact CZ-CB 3.93Å; F724-L859 HydrophobicContact CE2-CD2 3.69Å; F724-L859 HydrophobicContact CE2-CG 4Å; F724-L859 HydrophobicContact CZ-CD2 4.13Å; F724-L859 HydrophobicContact CZ-CG 3.9Å |
| 725 | V | 89.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -103 | -51.4 | -178.3 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | T641 Y644 F720 E721 R741 | T641-V725 HydrophobicContact CG2-CG2 4.15Å; Y644-V725 HydrophobicContact CD1-CG2 4.28Å; Y644-V725 HydrophobicContact CD2-CG2 3.89Å; Y644-V725 HydrophobicContact CE2-CG2 4.48Å; Y644-V725 HydrophobicContact CG-CG1 4.46Å; Y644-V725 HydrophobicContact CG-CG2 3.78Å; F720-V725 HydrophobicContact CD1-CG2 4.16Å; F720-V725 HydrophobicContact CE1-CG2 4.04Å; F720-V725 PolarHBondContact O-N 3.23Å; E721-V725 HydrophobicContact CB-CB 4.41Å; E721-V725 HydrophobicContact CB-CG2 4.47Å; E721-V725 HydrophobicContact CG-CG2 4.22Å; E721-V725 WeakPolarHBondContact O-CA 3.49Å; E721-V725 WeakPolarHBondContact O-CB 3.41Å; E721-V725 PolarHBondContact O-N 2.6Å; V725-R741 PolarHBondContact O-NE 2.65Å |
| 726 | G | 86.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 101 | 144.5 | -164 | 0 | 0 | 0 | 0 | 0 | 112.8 | P646 E721 | P646-G726 WeakPolarHBondContact CA-O 3.33Å; P646-G726 VanDerWaalsContact CB-O 3.3Å; P646-G726 WeakPolarHBondContact CB-O 3.46Å; E721-G726 PolarHBondContact O-N 3.05Å | ||
| 727 | E | 83.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | trans | -149.7 | 131.7 | -168.3 | -56.5 | 172.2 | 119.1 | 0 | 0 | 110.5 | P646 L648 R710 T717 E721 H722 V733 S734 | P646-E727 CarbonylContact O-C 3.47Å; P646-E727 VanDerWaalsContact O-CA 3.32Å; P646-E727 WeakPolarHBondContact O-CA 3.42Å; L648-E727 HydrophobicContact CD1-CB 4.05Å; L648-E727 HydrophobicContact CD2-CB 4.32Å; L648-E727 HydrophobicContact CG-CB 4.26Å; R710-E727 IonicContact CZ-OE1 3.51Å; R710-E727 IonicContact CZ-OE2 2.67Å; R710-E727 VanDerWaalsContact NH1-CD 3.33Å; R710-E727 IonicContact NH1-OE1 2.95Å; R710-E727 PolarHBondContact NH1-OE1 3.49Å; R710-E727 IonicContact NH1-OE2 2.69Å; R710-E727 PolarHBondContact NH1-OE2 3.09Å; R710-E727 IonicContact NH2-OE1 3.5Å; R710-E727 PolarHBondContact NH2-OE1 2.79Å; R710-E727 IonicContact NH2-OE2 2.77Å; R710-E727 PolarHBondContact NH2-OE2 3.49Å; T717-E727 WeakPolarHBondContact CB-OE1 3.36Å; T717-E727 PolarHBondContact OG1-OE1 3.2Å; E721-E727 HydrophobicContact CB-CG 4.12Å; H722-E727 WeakPolarHBondContact CA-OE2 3.35Å; H722-E727 WeakPolarHBondContact CB-OE2 3.36Å; H722-E727 IonicContact CE1-OE2 3.41Å; H722-E727 IonicContact CG-OE2 3.5Å; H722-E727 VanDerWaalsContact CG-OE2 3.32Å; H722-E727 IonicContact ND1-OE2 3.42Å; H722-E727 PolarHBondContact ND1-OE2 2.84Å; E727-V733 CarbonylContact O-C 3.45Å; E727-S734 WeakPolarHBondContact CB-OG 3.47Å; E727-S734 PolarHBondContact O-N 3.31Å; E727-S734 PolarHBondContact O-OG 3.41Å; E727-S734 VanDerWaalsContact O-OG 3.1Å | ||
| 728 | V | 83.1 | Confident | 86.1 | Confident | 10 Ų | 10 | 21 Ų | 21 | 6% | 0.061 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.9 | -164 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | P646 Q647 L648 V733 L839 S842 | P646-V728 WeakPolarHBondContact O-CB 3.3Å; P646-V728 PolarHBondContact O-N 2.81Å; Q647-V728 PolarHBondContact NE2-O 2.74Å; L648-V728 WeakPolarHBondContact CB-O 3.28Å; L648-V728 WeakPolarHBondContact CG-O 3.23Å; L648-V728 PolarHBondContact N-O 2.93Å; V728-V733 HydrophobicContact CG2-CG2 4.43Å; V728-L839 HydrophobicContact CG2-CD2 3.82Å; V728-L839 HydrophobicContact CG2-CG 4.36Å; V728-S842 WeakPolarHBondContact CG1-OG 3.13Å |
| 729 | Y | 77.7 | Confident | 86.6 | Confident | 66 Ų | 66 | 21.1 Ų | 21.1 | 26% | 0.259 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 139.9 | 179.3 | 178.3 | -92.7 | 0 | 0 | 0 | 110.6 | L648 R711 G731 K732 | L648-Y729 HydrophobicContact CB-CD2 4.31Å; R711-Y729 WeakPolarHBondContact CD-OH 3.33Å; R711-Y729 PolarHBondContact NH1-OH 2.94Å; Y729-G731 VanDerWaalsContact C-N 3.29Å; Y729-G731 PolarHBondContact O-N 2.92Å; Y729-K732 PolarHBondContact N-O 2.97Å; Y729-K732 WeakPolarHBondContact O-CB 3.29Å; Y729-K732 PolarHBondContact O-N 3.18Å; Y729-K732 VanDerWaalsContact O-O 3.12Å |
| 730 | E | 80.6 | Confident | 87.1 | Confident | 111 Ų | 111 | 21 Ų | 21 | 52% | 0.519 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 44.4 | -179.3 | -71 | 173.7 | -171.7 | 0 | 0 | 114.5 | R711 K732 | R711-E730 IonicContact NH1-OE1 3.57Å; R711-E730 PolarHBondContact NH1-OE1 3.2Å; R711-E730 VanDerWaalsContact NH1-OE1 3.08Å; E730-K732 PolarHBondContact O-N 3.18Å; E730-K732 IonicContact OE2-NZ 2.59Å; E730-K732 PolarHBondContact OE2-NZ 3.43Å |
| 731 | G | 82.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 22.2 Ų | 22.2 | 44% | 0.443 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y729 S842 T843 | Y729-G731 VanDerWaalsContact C-N 3.29Å; Y729-G731 PolarHBondContact O-N 2.92Å; G731-S842 VanDerWaalsContact C-OG 3.29Å; G731-S842 VanDerWaalsContact CA-OG 3.3Å; G731-S842 WeakPolarHBondContact CA-OG 3.37Å; G731-S842 CarbonylContact O-C 3.56Å; G731-S842 VanDerWaalsContact O-CA 3.25Å; G731-S842 WeakPolarHBondContact O-CA 3.47Å; G731-T843 PolarHBondContact O-N 2.96Å |
| 732 | K | 86.2 | Confident | 87.7 | Confident | 118 Ų | 118 | 21.3 Ų | 21.3 | 51% | 0.513 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.1 | -176.2 | -62.7 | 153.5 | -163.7 | 153 | 0 | 110.2 | Y729 E730 | Y729-K732 PolarHBondContact N-O 2.97Å; Y729-K732 WeakPolarHBondContact O-CB 3.29Å; Y729-K732 PolarHBondContact O-N 3.18Å; Y729-K732 VanDerWaalsContact O-O 3.12Å; E730-K732 PolarHBondContact O-N 3.18Å; E730-K732 IonicContact OE2-NZ 2.59Å; E730-K732 PolarHBondContact OE2-NZ 3.43Å |
| 733 | V | 87.6 | Confident | 88 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117.6 | 169 | -169.3 | 0 | 0 | 0 | 0 | 107.9 | E727 V728 G735 Y837 L839 S842 T843 K844 | E727-V733 CarbonylContact O-C 3.45Å; V728-V733 HydrophobicContact CG2-CG2 4.43Å; V733-G735 WeakPolarHBondContact CG1-O 3.44Å; V733-Y837 HydrophobicContact CB-CE2 4.49Å; V733-Y837 HydrophobicContact CG1-CE2 4.21Å; V733-Y837 HydrophobicContact CG2-CE2 4.29Å; V733-L839 HydrophobicContact CG1-CD2 4.33Å; V733-L839 HydrophobicContact CG2-CB 3.75Å; V733-S842 WeakPolarHBondContact CG2-O 3.25Å; V733-T843 PolarHBondContact N-O 3.41Å; V733-K844 HydrophobicContact CB-CB 3.98Å; V733-K844 HydrophobicContact CB-CD 4.01Å; V733-K844 HydrophobicContact CG1-CD 4.24Å; V733-K844 HydrophobicContact CG2-CB 4.32Å; V733-K844 WeakPolarHBondContact O-CD 3.23Å |
| 734 | S | 81 | Confident | 88.1 | Confident | 46 Ų | 46 | 22.9 Ų | 22.9 | 32% | 0.322 | 12% | 0.122 | S | C | . | . | trans | -86.3 | -47.4 | 177.8 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | H722 E727 K844 | H722-S734 PolarHBondContact CE1-O 2.95Å; E727-S734 WeakPolarHBondContact CB-OG 3.47Å; E727-S734 PolarHBondContact O-N 3.31Å; E727-S734 PolarHBondContact O-OG 3.41Å; E727-S734 VanDerWaalsContact O-OG 3.1Å; S734-K844 PolarHBondContact O-NZ 3.17Å | ||
| 735 | G | 83.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -95.3 | -147.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | H722 V733 Y837 K844 | H722-G735 VanDerWaalsContact CE1-CA 3.45Å; H722-G735 WeakPolarHBondContact CE1-CA 3.33Å; H722-G735 CarbonylContact O-C 3.6Å; H722-G735 WeakPolarHBondContact O-CA 3.46Å; V733-G735 WeakPolarHBondContact CG1-O 3.44Å; G735-Y837 PolarHBondContact O-OH 2.98Å; G735-K844 PolarHBondContact O-NZ 3.38Å | ||
| 736 | L | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | 61.6 | 101.9 | -173.5 | -176.7 | 62.4 | 0 | 0 | 0 | 114.2 | H722 R741 F742 L745 I751 Y837 F849 | H722-L736 PolarHBondContact O-N 2.67Å; L736-R741 HydrophobicContact CD1-CB 3.95Å; L736-R741 HydrophobicContact CD1-CG 3.79Å; L736-F742 HydrophobicContact CD2-CD2 4.17Å; L736-L745 HydrophobicContact CD2-CD1 4.15Å; L736-I751 HydrophobicContact CD2-CD1 3.44Å; L736-I751 VanDerWaalsContact CD2-CD1 3.44Å; L736-Y837 WeakPolarHBondContact CB-OH 3.42Å; L736-Y837 HydrophobicContact CD2-CE2 4.11Å; L736-Y837 PolarHBondContact O-OH 2.7Å; L736-Y837 VanDerWaalsContact O-OH 3.05Å; L736-F849 HydrophobicContact CG-CE1 4.29Å; L736-F849 HydrophobicContact CG-CZ 4.41Å | ||
| 737 | H | 91 | Very high | 88.6 | Confident | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | trans | -140.1 | -8.5 | -177.6 | -73.8 | -76.5 | 0 | 0 | 0 | 114.1 | Y723 K844 S848 F849 Y900 | Y723-H737 HydrophobicContact CD2-CB 3.52Å; Y723-H737 HydrophobicContact CE2-CB 3.38Å; Y723-H737 HydrophobicContact CG-CB 4.42Å; Y723-H737 PolarHBondContact O-N 2.89Å; Y723-H737 PolarHBondContact OH-O 3.45Å; H737-K844 PolarHBondContact CE1-NZ 3.11Å; H737-K844 PolarHBondContact NE2-NZ 3.1Å; H737-S848 PolarHBondContact ND1-O 3.45Å; H737-F849 VanDerWaalsContact C-CD1 3.42Å; H737-F849 WeakPolarHBondContact O-CD1 3.47Å; H737-Y900 WeakPolarHBondContact CE1-CB 3.36Å; H737-Y900 AromaticContact CE1-CG 3.94Å; H737-Y900 WeakPolarHBondContact ND1-CB 3.49Å | ||
| 738 | N | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -85.6 | 131.8 | 169.8 | 179.6 | -100.4 | 0 | 0 | 0 | 112 | Y723 F724 I740 R741 F742 D858 | Y723-N738 HydrophobicContact CD1-CB 4.05Å; Y723-N738 HydrophobicContact CE1-CB 3.64Å; Y723-N738 PolarHBondContact O-N 3.48Å; F724-N738 HydrophobicContact CD1-CB 3.64Å; F724-N738 HydrophobicContact CE1-CB 4.1Å; F724-N738 HydrophobicContact CG-CB 4.43Å; N738-I740 PolarHBondContact O-N 3.19Å; N738-I740 WeakPolarHBondContact OD1-CB 3.37Å; N738-I740 PolarHBondContact OD1-N 2.85Å; N738-I740 VanDerWaalsContact OD1-N 3.09Å; N738-R741 PolarHBondContact OD1-N 2.65Å; N738-F742 PolarHBondContact O-N 3.16Å; N738-D858 PolarHBondContact ND2-OD2 3.03Å |
| 739 | W | 93.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.7 | -26.7 | -175 | 76.3 | -86.5 | 0 | 0 | 0 | 114 | A598 A603 F605 I624 Y628 F742 A743 F849 L851 T853 | A598-W739 HydrophobicContact CB-CH2 3.8Å; A598-W739 HydrophobicContact CB-CZ2 3.75Å; A603-W739 HydrophobicContact CB-CH2 3.76Å; A603-W739 HydrophobicContact CB-CZ3 3.7Å; F605-W739 AromaticContact CE1-CE3 3.96Å; F605-W739 HydrophobicContact CE1-CE3 3.96Å; F605-W739 HydrophobicContact CE1-CZ3 4.46Å; F605-W739 HydrophobicContact CZ-CD2 4.33Å; F605-W739 AromaticContact CZ-CE3 3.83Å; F605-W739 HydrophobicContact CZ-CE3 3.83Å; F605-W739 HydrophobicContact CZ-CZ3 4.1Å; I624-W739 HydrophobicContact CD1-CH2 4.03Å; I624-W739 HydrophobicContact CD1-CZ3 3.83Å; Y628-W739 HydrophobicContact CD1-CH2 4.48Å; Y628-W739 AromaticContact CE1-CH2 3.84Å; Y628-W739 HydrophobicContact CE1-CH2 3.84Å; Y628-W739 AromaticContact CE1-CZ2 3.98Å; Y628-W739 HydrophobicContact CE1-CZ2 3.98Å; Y628-W739 AromaticContact CZ-CZ2 3.82Å; Y628-W739 WeakPolarHBondContact OH-CZ2 3.4Å; W739-F742 PolarHBondContact O-N 3.1Å; W739-A743 WeakPolarHBondContact O-CB 3.43Å; W739-A743 PolarHBondContact O-N 2.74Å; W739-F849 HydrophobicContact CB-CD1 4.39Å; W739-L851 HydrophobicContact CB-CD2 4.12Å; W739-T853 PolarHBondContact NE1-O 2.82Å |
| 740 | I | 94.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.6 | -46.2 | -178.5 | -53.1 | 161.1 | 0 | 0 | 0 | 109.6 | Y628 I634 L637 N738 F742 A743 V744 | Y628-I740 HydrophobicContact CE1-CG1 4.5Å; I634-I740 HydrophobicContact CD1-CD1 3.85Å; I634-I740 HydrophobicContact CG2-CG2 4.18Å; L637-I740 HydrophobicContact CD2-CB 4.17Å; L637-I740 HydrophobicContact CD2-CD1 3.86Å; L637-I740 HydrophobicContact CD2-CG2 4.31Å; N738-I740 PolarHBondContact O-N 3.19Å; N738-I740 WeakPolarHBondContact OD1-CB 3.37Å; N738-I740 PolarHBondContact OD1-N 2.85Å; N738-I740 VanDerWaalsContact OD1-N 3.09Å; I740-F742 VanDerWaalsContact C-N 3.33Å; I740-F742 PolarHBondContact O-N 3.09Å; I740-A743 PolarHBondContact O-N 2.81Å; I740-V744 WeakPolarHBondContact O-CG2 3.35Å; I740-V744 PolarHBondContact O-N 3.35Å; I740-V744 VanDerWaalsContact O-N 3.12Å |
| 741 | R | 94 | Very high | 90.3 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 173.8 | 179.8 | 65 | 169 | 178.4 | 1 | 111.8 | T641 F724 V725 L736 N738 A743 V744 L745 | T641-R741 PolarHBondContact O-NH1 3.2Å; T641-R741 PolarHBondContact O-NH2 3.3Å; T641-R741 PolarHBondContact OG1-NH1 3.36Å; F724-R741 WeakPolarHBondContact O-CB 3.49Å; F724-R741 WeakPolarHBondContact O-CG 3.21Å; V725-R741 PolarHBondContact O-NE 2.65Å; L736-R741 HydrophobicContact CD1-CB 3.95Å; L736-R741 HydrophobicContact CD1-CG 3.79Å; N738-R741 PolarHBondContact OD1-N 2.65Å; R741-A743 VanDerWaalsContact C-N 3.35Å; R741-A743 PolarHBondContact O-N 3.23Å; R741-V744 PolarHBondContact O-N 2.62Å; R741-L745 HydrophobicContact CG-CD1 3.84Å; R741-L745 HydrophobicContact CG-CG 4.31Å; R741-L745 WeakPolarHBondContact O-CG 3.42Å; R741-L745 PolarHBondContact O-N 3.35Å |
| 742 | F | 94.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 175.6 | -175.8 | -78.8 | 0 | 0 | 0 | 111 | F620 V621 L736 N738 W739 I740 V744 L745 E746 I751 I835 Y837 F849 | F620-F742 HydrophobicContact CB-CE1 3.99Å; F620-F742 HydrophobicContact CB-CZ 4.39Å; F620-F742 HydrophobicContact CD1-CD1 4.41Å; F620-F742 AromaticContact CD1-CE1 3.94Å; F620-F742 HydrophobicContact CD1-CE1 3.94Å; F620-F742 HydrophobicContact CG-CE1 4.43Å; V621-F742 HydrophobicContact CG2-CD1 4.04Å; V621-F742 HydrophobicContact CG2-CE1 4.38Å; L736-F742 HydrophobicContact CD2-CD2 4.17Å; N738-F742 PolarHBondContact O-N 3.16Å; W739-F742 PolarHBondContact O-N 3.1Å; I740-F742 VanDerWaalsContact C-N 3.33Å; I740-F742 PolarHBondContact O-N 3.09Å; F742-V744 VanDerWaalsContact C-N 3.34Å; F742-V744 PolarHBondContact O-N 2.92Å; F742-L745 PolarHBondContact O-N 3.49Å; F742-E746 HydrophobicContact CD1-CB 4.46Å; F742-E746 HydrophobicContact CE1-CB 4.25Å; F742-E746 WeakPolarHBondContact CE1-OE2 3.08Å; F742-E746 VanDerWaalsContact O-CB 3.29Å; F742-E746 WeakPolarHBondContact O-CB 3.5Å; F742-E746 PolarHBondContact O-N 2.98Å; F742-I751 HydrophobicContact CD2-CD1 3.73Å; F742-I751 HydrophobicContact CD2-CG2 4.32Å; F742-I751 HydrophobicContact CE1-CG2 4.22Å; F742-I751 HydrophobicContact CE2-CD1 4.03Å; F742-I751 HydrophobicContact CE2-CG2 3.62Å; F742-I751 HydrophobicContact CG-CD1 4.23Å; F742-I751 HydrophobicContact CZ-CG2 3.56Å; F742-I835 HydrophobicContact CD2-CD1 4.39Å; F742-I835 HydrophobicContact CE1-CD1 4.32Å; F742-I835 HydrophobicContact CE2-CD1 3.65Å; F742-I835 HydrophobicContact CZ-CD1 3.61Å; F742-Y837 HydrophobicContact CD2-CD1 4.41Å; F742-Y837 HydrophobicContact CD2-CE1 4.36Å; F742-Y837 AromaticContact CE2-CD1 3.64Å; F742-Y837 HydrophobicContact CE2-CD1 3.64Å; F742-Y837 HydrophobicContact CE2-CD2 4.26Å; F742-Y837 HydrophobicContact CE2-CE1 4.03Å; F742-Y837 AromaticContact CE2-CG 3.77Å; F742-Y837 HydrophobicContact CE2-CG 3.77Å; F742-F849 HydrophobicContact CB-CE1 3.87Å; F742-F849 HydrophobicContact CB-CZ 4.41Å; F742-F849 AromaticContact CD2-CE1 3.88Å; F742-F849 HydrophobicContact CD2-CE1 3.88Å; F742-F849 HydrophobicContact CD2-CE2 4.28Å; F742-F849 AromaticContact CD2-CZ 3.52Å; F742-F849 HydrophobicContact CD2-CZ 3.52Å; F742-F849 HydrophobicContact CE2-CZ 4.14Å; F742-F849 HydrophobicContact CG-CE1 4.13Å; F742-F849 HydrophobicContact CG-CZ 4.2Å |
| 743 | A | 93.6 | Very high | 91 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 5% | 0.05 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V621 I624 W739 I740 R741 A747 | V621-A743 HydrophobicContact CB-CB 4.08Å; V621-A743 HydrophobicContact CG1-CB 3.85Å; V621-A743 HydrophobicContact CG2-CB 3.98Å; I624-A743 HydrophobicContact CD1-CB 4.46Å; W739-A743 WeakPolarHBondContact O-CB 3.43Å; W739-A743 PolarHBondContact O-N 2.74Å; I740-A743 PolarHBondContact O-N 2.81Å; R741-A743 VanDerWaalsContact C-N 3.35Å; R741-A743 PolarHBondContact O-N 3.23Å; A743-A747 WeakPolarHBondContact O-CB 3.45Å; A743-A747 PolarHBondContact O-N 3.02Å |
| 744 | V | 92.2 | Very high | 91.2 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.4 | -45.8 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | I638 I740 R741 F742 A747 N748 | I638-V744 HydrophobicContact CD1-CG2 4.44Å; I638-V744 HydrophobicContact CG1-CG2 4.31Å; I740-V744 WeakPolarHBondContact O-CG2 3.35Å; I740-V744 PolarHBondContact O-N 3.35Å; I740-V744 VanDerWaalsContact O-N 3.12Å; R741-V744 PolarHBondContact O-N 2.62Å; F742-V744 VanDerWaalsContact C-N 3.34Å; F742-V744 PolarHBondContact O-N 2.92Å; V744-A747 PolarHBondContact O-N 3.41Å; V744-N748 VanDerWaalsContact O-CG 3.24Å; V744-N748 PolarHBondContact O-N 3.33Å; V744-N748 PolarHBondContact O-OD1 2.81Å |
| 745 | L | 92.2 | Very high | 91.4 | Very high | 11 Ų | 11 | 26 Ų | 26 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 178.8 | -70.5 | 173.4 | 0 | 0 | 0 | 112.1 | L736 R741 F742 N748 G749 D750 I751 L839 | L736-L745 HydrophobicContact CD2-CD1 4.15Å; R741-L745 HydrophobicContact CG-CD1 3.84Å; R741-L745 HydrophobicContact CG-CG 4.31Å; R741-L745 WeakPolarHBondContact O-CG 3.42Å; R741-L745 PolarHBondContact O-N 3.35Å; F742-L745 PolarHBondContact O-N 3.49Å; L745-N748 PolarHBondContact O-N 3.08Å; L745-G749 PolarHBondContact O-N 2.92Å; L745-D750 HydrophobicContact CB-CB 4.08Å; L745-D750 HydrophobicContact CD2-CB 3.88Å; L745-D750 WeakPolarHBondContact CD2-OD2 3.33Å; L745-D750 PolarHBondContact O-N 3.07Å; L745-I751 HydrophobicContact CB-CB 4.42Å; L745-I751 HydrophobicContact CB-CD1 3.54Å; L745-I751 HydrophobicContact CB-CG1 3.78Å; L745-I751 HydrophobicContact CD1-CD1 3.87Å; L745-I751 HydrophobicContact CD1-CG1 4.46Å; L745-I751 HydrophobicContact CG-CD1 4.37Å; L745-I751 PolarHBondContact O-N 2.75Å; L745-L839 HydrophobicContact CD1-CD1 4.15Å |
| 746 | E | 93.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69 | -35.8 | 174 | -174.2 | 173.2 | -123.8 | 0 | 0 | 111.8 | R619 F620 V621 F742 N748 G749 I751 | R619-E746 WeakPolarHBondContact CA-OE1 3.5Å; R619-E746 HydrophobicContact CB-CG 3.99Å; R619-E746 HydrophobicContact CG-CG 3.73Å; R619-E746 PolarHBondContact NE-O 3.11Å; R619-E746 PolarHBondContact NH2-O 3.19Å; F620-E746 VanDerWaalsContact N-CD 3.3Å; F620-E746 PolarHBondContact N-OE1 3.23Å; F620-E746 PolarHBondContact N-OE2 2.94Å; V621-E746 PolarHBondContact N-OE2 3.44Å; F742-E746 HydrophobicContact CD1-CB 4.46Å; F742-E746 HydrophobicContact CE1-CB 4.25Å; F742-E746 WeakPolarHBondContact CE1-OE2 3.08Å; F742-E746 VanDerWaalsContact O-CB 3.29Å; F742-E746 WeakPolarHBondContact O-CB 3.5Å; F742-E746 PolarHBondContact O-N 2.98Å; E746-N748 VanDerWaalsContact C-N 3.34Å; E746-G749 PolarHBondContact O-N 2.8Å; E746-I751 HydrophobicContact CB-CB 4.19Å; E746-I751 HydrophobicContact CB-CG2 4.24Å |
| 747 | A | 90 | Very high | 91 | Very high | 54 Ų | 54 | 30 Ų | 30 | 45% | 0.446 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.1 | -36 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R619 A743 V744 | R619-A747 VanDerWaalsContact NH2-C 3.29Å; R619-A747 PolarHBondContact NH2-O 3.4Å; A743-A747 WeakPolarHBondContact O-CB 3.45Å; A743-A747 PolarHBondContact O-N 3.02Å; V744-A747 PolarHBondContact O-N 3.41Å |
| 748 | N | 88.8 | Confident | 89.8 | Confident | 113 Ų | 113 | 32.7 Ų | 32.7 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -74.2 | -26.4 | 173.1 | -68.5 | -8.3 | 0 | 0 | 0 | 113.6 | V744 L745 E746 D750 | V744-N748 VanDerWaalsContact O-CG 3.24Å; V744-N748 PolarHBondContact O-N 3.33Å; V744-N748 PolarHBondContact O-OD1 2.81Å; L745-N748 PolarHBondContact O-N 3.08Å; E746-N748 VanDerWaalsContact C-N 3.34Å; N748-D750 WeakPolarHBondContact CB-OD2 3.31Å; N748-D750 PolarHBondContact ND2-OD2 2.87Å |
| 749 | G | 89.4 | Confident | 88.1 | Confident | 55 Ų | 55 | 35 Ų | 35 | 57% | 0.567 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 8.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L745 E746 I751 | L745-G749 PolarHBondContact O-N 2.92Å; E746-G749 PolarHBondContact O-N 2.8Å; G749-I751 VanDerWaalsContact C-N 3.25Å; G749-I751 PolarHBondContact O-N 2.89Å |
| 750 | D | 89.8 | Confident | 86 | Confident | 76 Ų | 76 | 42.2 Ų | 42.2 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -69.1 | -25.8 | 173.8 | -60.8 | -58.3 | 0 | 0 | 0 | 112.1 | L745 N748 L839 G840 | L745-D750 HydrophobicContact CB-CB 4.08Å; L745-D750 HydrophobicContact CD2-CB 3.88Å; L745-D750 WeakPolarHBondContact CD2-OD2 3.33Å; L745-D750 PolarHBondContact O-N 3.07Å; N748-D750 WeakPolarHBondContact CB-OD2 3.31Å; N748-D750 PolarHBondContact ND2-OD2 2.87Å; D750-L839 HydrophobicContact CB-CD1 4.21Å; D750-L839 WeakPolarHBondContact O-CA 3.17Å; D750-G840 PolarHBondContact O-N 3.12Å |
| 751 | I | 92.6 | Very high | 83.2 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.4 | -179.3 | -74.3 | 179.2 | 0 | 0 | 0 | 111.9 | L736 F742 L745 E746 G749 Y837 S838 L839 | L736-I751 HydrophobicContact CD2-CD1 3.44Å; L736-I751 VanDerWaalsContact CD2-CD1 3.44Å; F742-I751 HydrophobicContact CD2-CD1 3.73Å; F742-I751 HydrophobicContact CD2-CG2 4.32Å; F742-I751 HydrophobicContact CE1-CG2 4.22Å; F742-I751 HydrophobicContact CE2-CD1 4.03Å; F742-I751 HydrophobicContact CE2-CG2 3.62Å; F742-I751 HydrophobicContact CG-CD1 4.23Å; F742-I751 HydrophobicContact CZ-CG2 3.56Å; L745-I751 HydrophobicContact CB-CB 4.42Å; L745-I751 HydrophobicContact CB-CD1 3.54Å; L745-I751 HydrophobicContact CB-CG1 3.78Å; L745-I751 HydrophobicContact CD1-CD1 3.87Å; L745-I751 HydrophobicContact CD1-CG1 4.46Å; L745-I751 HydrophobicContact CG-CD1 4.37Å; L745-I751 PolarHBondContact O-N 2.75Å; E746-I751 HydrophobicContact CB-CB 4.19Å; E746-I751 HydrophobicContact CB-CG2 4.24Å; G749-I751 VanDerWaalsContact C-N 3.25Å; G749-I751 PolarHBondContact O-N 2.89Å; I751-Y837 HydrophobicContact CG2-CD2 4.46Å; I751-S838 WeakPolarHBondContact CA-O 3.43Å; I751-L839 HydrophobicContact CD1-CD1 4.38Å; I751-L839 HydrophobicContact CG1-CB 4.39Å; I751-L839 HydrophobicContact CG1-CD1 3.73Å |
| 752 | D | 91.5 | Very high | 80.3 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 108.1 | -179 | 174.7 | 8.3 | 0 | 0 | 0 | 109.4 | K754 Y837 S838 | D752-K754 VanDerWaalsContact OD1-CE 3.25Å; D752-K754 WeakPolarHBondContact OD1-CE 3.43Å; D752-K754 IonicContact OD1-NZ 3.39Å; D752-K754 PolarHBondContact OD1-NZ 2.72Å; D752-K754 WeakPolarHBondContact OD2-CE 3.37Å; D752-K754 IonicContact OD2-NZ 2.75Å; D752-K754 PolarHBondContact OD2-NZ 3.05Å; D752-Y837 CarbonylContact O-C 3.43Å; D752-Y837 VanDerWaalsContact O-CA 3.29Å; D752-Y837 WeakPolarHBondContact O-CA 3.35Å; D752-S838 PolarHBondContact N-O 3.28Å; D752-S838 PolarHBondContact O-N 2.84Å |
| 753 | Y | 93.1 | Very high | 77.3 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139.7 | -174.2 | 172.4 | -128.2 | 0 | 0 | 0 | 112.5 | Y607 Q608 A616 F620 G755 Y756 I835 K836 | Y607-Y753 PolarHBondContact O-OH 2.81Å; Q608-Y753 HydrophobicContact CB-CE1 4.34Å; Q608-Y753 HydrophobicContact CG-CE1 4.41Å; Q608-Y753 VanDerWaalsContact NE2-CD1 3.34Å; A616-Y753 HydrophobicContact CB-CD1 3.67Å; A616-Y753 HydrophobicContact CB-CE1 3.71Å; A616-Y753 HydrophobicContact CB-CG 4.4Å; F620-Y753 HydrophobicContact CB-CD1 3.81Å; F620-Y753 HydrophobicContact CB-CD2 4.01Å; F620-Y753 HydrophobicContact CB-CE1 4.05Å; F620-Y753 HydrophobicContact CB-CE2 4.28Å; F620-Y753 HydrophobicContact CB-CG 3.78Å; F620-Y753 HydrophobicContact CD2-CE1 4.21Å; F620-Y753 HydrophobicContact CD2-CE2 4.26Å; F620-Y753 AromaticContact CD2-CZ 3.92Å; F620-Y753 HydrophobicContact CG-CE2 4.46Å; Y753-G755 VanDerWaalsContact CE2-C 3.47Å; Y753-G755 VanDerWaalsContact CE2-N 3.29Å; Y753-G755 VanDerWaalsContact CZ-CA 3.42Å; Y753-G755 WeakPolarHBondContact OH-CA 3.44Å; Y753-Y756 PolarHBondContact OH-N 3.02Å; Y753-I835 HydrophobicContact CD2-CB 4.27Å; Y753-I835 HydrophobicContact CD2-CD1 4.4Å; Y753-I835 HydrophobicContact CD2-CG2 4.47Å; Y753-I835 HydrophobicContact CE2-CB 3.71Å; Y753-I835 HydrophobicContact CE2-CD1 4.48Å; Y753-I835 HydrophobicContact CE2-CG2 3.58Å; Y753-K836 WeakPolarHBondContact CD2-O 3.23Å |
| 754 | K | 90.6 | Very high | 74.3 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 30% | 0.3 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 32.2 | -172.5 | -58.9 | -61.9 | 176.6 | -150.3 | 0 | 113.7 | S611 D752 K836 | S611-K754 WeakPolarHBondContact CB-O 3Å; S611-K754 PolarHBondContact OG-O 3.27Å; D752-K754 VanDerWaalsContact OD1-CE 3.25Å; D752-K754 WeakPolarHBondContact OD1-CE 3.43Å; D752-K754 IonicContact OD1-NZ 3.39Å; D752-K754 PolarHBondContact OD1-NZ 2.72Å; D752-K754 WeakPolarHBondContact OD2-CE 3.37Å; D752-K754 IonicContact OD2-NZ 2.75Å; D752-K754 PolarHBondContact OD2-NZ 3.05Å; K754-K836 WeakPolarHBondContact CA-O 3.23Å; K754-K836 HydrophobicContact CB-CB 3.93Å; K754-K836 HydrophobicContact CB-CD 3.8Å; K754-K836 HydrophobicContact CB-CG 3.8Å; K754-K836 PolarHBondContact N-O 3Å |
| 755 | G | 87.1 | Confident | 71.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.8 | 162.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q609 Y753 K836 | Q609-G755 WeakPolarHBondContact O-CA 3.33Å; Y753-G755 VanDerWaalsContact CE2-C 3.47Å; Y753-G755 VanDerWaalsContact CE2-N 3.29Å; Y753-G755 VanDerWaalsContact CZ-CA 3.42Å; Y753-G755 WeakPolarHBondContact OH-CA 3.44Å; G755-K836 PolarHBondContact O-N 3.39Å |
| 756 | Y | 85.2 | Confident | 69.3 | Low | 38 Ų | 38 | 71.3 Ų | 71.3 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 166 | -174.4 | 80.8 | -81.7 | 0 | 0 | 0 | 113.1 | Y607 Q608 Q609 R610 S611 Y753 P758 V834 | Y607-Y756 HydrophobicContact CD1-CD2 4.39Å; Y607-Y756 HydrophobicContact CD1-CG 4.05Å; Y607-Y756 WeakPolarHBondContact O-CD1 3.32Å; Q608-Y756 WeakPolarHBondContact O-CE1 3.45Å; Q609-Y756 WeakPolarHBondContact O-CD1 3.42Å; Q609-Y756 PolarHBondContact O-N 3.05Å; Q609-Y756 VanDerWaalsContact O-N 3.15Å; R610-Y756 CarbonylContact C-O 3.5Å; R610-Y756 WeakPolarHBondContact CA-O 3.08Å; R610-Y756 HydrophobicContact CB-CE1 4.44Å; R610-Y756 HydrophobicContact CG-CD1 4.19Å; R610-Y756 HydrophobicContact CG-CE1 3.53Å; R610-Y756 HydrophobicContact CG-CE2 3.9Å; R610-Y756 WeakPolarHBondContact CG-OH 3.1Å; R610-Y756 PolarHBondContact NE-OH 2.81Å; S611-Y756 PolarHBondContact N-O 3.29Å; Y753-Y756 PolarHBondContact OH-N 3.02Å; Y756-P758 HydrophobicContact CE2-CB 4.17Å; Y756-V834 CarbonylContact C-O 3.4Å; Y756-V834 WeakPolarHBondContact CA-O 3.38Å |
| 757 | F | 79.3 | Confident | 67.1 | Low | 45 Ų | 45 | 77.7 Ų | 77.7 | 20% | 0.197 | 42% | 0.419 | C | S | . | . | trans | -114.6 | 125.8 | 168 | -61.1 | -86.4 | 0 | 0 | 0 | 109.8 | V834 K836 P845 R846 | F757-V834 HydrophobicContact CB-CG1 4.42Å; F757-V834 HydrophobicContact CD2-CG1 4.12Å; F757-V834 PolarHBondContact N-O 3.07Å; F757-K836 HydrophobicContact CE2-CB 3.9Å; F757-K836 HydrophobicContact CZ-CB 4.23Å; F757-P845 VanDerWaalsContact CE2-O 3.23Å; F757-P845 WeakPolarHBondContact CE2-O 3.28Å; F757-P845 VanDerWaalsContact CZ-O 3.28Å; F757-P845 WeakPolarHBondContact CZ-O 3.21Å; F757-R846 HydrophobicContact CD2-CG 4.18Å; F757-R846 HydrophobicContact CE2-CB 4.5Å; F757-R846 HydrophobicContact CE2-CG 3.74Å; F757-R846 HydrophobicContact CZ-CG 3.99Å | ||
| 758 | P | 65.4 | Low | 65.2 | Low | 62 Ų | 62 | 81.1 Ų | 81.1 | 40% | 0.403 | 42% | 0.424 | S | S | . | . | trans | -64.9 | 150.4 | 173.8 | 29.5 | -35.4 | 0 | 0 | 0 | 110.8 | Y756 | Y756-P758 HydrophobicContact CE2-CB 4.17Š| ||
| 759 | E | 58.2 | Low | 63.4 | Low | 49 Ų | 49 | 78 Ų | 78 | 23% | 0.229 | 41% | 0.407 | C | S | . | . | trans | -76.3 | 166.2 | 174.8 | -70.4 | 173.4 | -165.9 | 0 | 0 | 111.7 | T761 A904 I905 C906 | E759-T761 PolarHBondContact O-N 3.33Å; E759-A904 VanDerWaalsContact OE1-CB 3.28Å; E759-A904 WeakPolarHBondContact OE1-CB 3.22Å; E759-A904 VanDerWaalsContact OE2-O 3.09Å; E759-I905 WeakPolarHBondContact OE2-CA 3.43Å; E759-I905 PolarHBondContact OE2-N 2.86Å; E759-C906 WeakPolarHBondContact OE2-CB 3.46Å; E759-C906 PolarHBondContact OE2-N 3.02Å | ||
| 760 | K | 49 | Very low | 61.4 | Low | 154 Ų | 154 | 79.7 Ų | 79.7 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | trans | -80.5 | 89.4 | -176.9 | -73.5 | -178.8 | 177 | 173.8 | 0 | 111.2 | I762 | K760-I762 PolarHBondContact O-N 3.12Š| ||
| 761 | T | 36.8 | Very low | 59.4 | Low | 86 Ų | 86 | 81.1 Ų | 81.1 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | trans | -53.2 | 126.8 | 161.3 | -39.2 | 0 | 0 | 0 | 0 | 109.9 | E759 V763 E907 | E759-T761 PolarHBondContact O-N 3.33Å; T761-V763 HydrophobicContact CG2-CG2 3.54Å; T761-E907 WeakPolarHBondContact CA-OE2 3.38Å; T761-E907 WeakPolarHBondContact CG2-OE2 3.34Å | ||
| 762 | I | 32.1 | Very low | 57.7 | Low | 113 Ų | 113 | 84 Ų | 84 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | trans | -121.6 | 83.1 | 175.7 | -54.9 | -177.7 | 0 | 0 | 0 | 109.1 | K760 S764 | K760-I762 PolarHBondContact O-N 3.12Å; I762-S764 PolarHBondContact O-N 3.32Å | ||
| 763 | V | 32.2 | Very low | 55.8 | Low | 121 Ų | 121 | 84.2 Ų | 84.2 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | trans | -88.5 | 103.4 | -179.8 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | T761 | T761-V763 HydrophobicContact CG2-CG2 3.54Š| ||
| 764 | S | 31.9 | Very low | 53.8 | Low | 103 Ų | 103 | 88 Ų | 88 | 72% | 0.72 | 45% | 0.449 | S | S | * | . | trans | -152.9 | 80.9 | 161.5 | 54.5 | 0 | 0 | 0 | 0 | 112 | I762 | I762-S764 PolarHBondContact O-N 3.32Š| ||
| 765 | I | 38.5 | Very low | 52 | Low | 110 Ų | 110 | 94.2 Ų | 94.2 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | trans | -81.9 | 131.5 | 167 | -59.2 | 176.4 | 0 | 0 | 0 | 107.8 | D769 L770 | I765-D769 HydrophobicContact CG2-CB 4.15Å; I765-L770 HydrophobicContact CG2-CB 4.13Å; I765-L770 HydrophobicContact CG2-CD1 4.41Å | ||
| 766 | R | 40.8 | Very low | 50.4 | Low | 154 Ų | 154 | 101.9 Ų | 101.9 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | trans | -75.8 | 139.5 | 174 | -52.2 | 171.9 | -61.3 | -154.8 | -2.6 | 108.3 | K768 D769 L770 | R766-K768 VanDerWaalsContact C-N 3.28Å; R766-K768 PolarHBondContact O-N 3.01Å; R766-K768 VanDerWaalsContact O-N 3.11Å; R766-D769 WeakPolarHBondContact CB-OD2 3.24Å; R766-D769 IonicContact CZ-OD1 2.65Å; R766-D769 IonicContact CZ-OD2 3.82Å; R766-D769 IonicContact NE-OD1 2.65Å; R766-D769 IonicContact NE-OD2 3.51Å; R766-D769 PolarHBondContact NE-OD2 3.49Å; R766-D769 VanDerWaalsContact NH2-CG 3.29Å; R766-D769 IonicContact NH2-OD1 2.62Å; R766-D769 PolarHBondContact NH2-OD1 3.39Å; R766-D769 IonicContact NH2-OD2 2.73Å; R766-D769 PolarHBondContact NH2-OD2 3.31Å; R766-D769 WeakPolarHBondContact O-CB 3.37Å; R766-D769 PolarHBondContact O-N 3.5Å; R766-L770 PolarHBondContact O-N 3.31Å | ||
| 767 | Q | 46.3 | Very low | 48.7 | Very low | 138 Ų | 138 | 105.9 Ų | 105.9 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -53.6 | -40.4 | -172.5 | -179.9 | 164.3 | -26.7 | 0 | 0 | 114 | D769 L770 E771 | Q767-D769 PolarHBondContact O-N 2.86Å; Q767-L770 WeakPolarHBondContact O-CB 3.38Å; Q767-L770 PolarHBondContact O-N 3.39Å; Q767-L770 VanDerWaalsContact O-N 3.12Å; Q767-E771 HydrophobicContact CG-CG 4.22Å; Q767-E771 VanDerWaalsContact CG-OE1 3.3Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.37Å; Q767-E771 PolarHBondContact NE2-OE1 3.31Å; Q767-E771 WeakPolarHBondContact O-CG 3.32Å; Q767-E771 PolarHBondContact O-N 3Å |
| 768 | K | 50.7 | Low | 47.2 | Very low | 127 Ų | 127 | 111.6 Ų | 111.6 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.9 | -31 | 175.6 | 72.2 | 165.7 | -160.4 | 160.5 | 0 | 114.3 | R766 T772 | R766-K768 VanDerWaalsContact C-N 3.28Å; R766-K768 PolarHBondContact O-N 3.01Å; R766-K768 VanDerWaalsContact O-N 3.11Å; K768-T772 PolarHBondContact O-N 2.88Å; K768-T772 VanDerWaalsContact O-N 3.08Å; K768-T772 PolarHBondContact O-OG1 2.92Å |
| 769 | D | 50 | Low | 46.3 | Very low | 46 Ų | 46 | 116.2 Ų | 116.2 | 25% | 0.246 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -77.8 | -38.3 | -178.5 | -53.3 | -37.7 | 0 | 0 | 0 | 108.6 | I765 R766 Q767 T772 I773 | I765-D769 HydrophobicContact CG2-CB 4.15Å; R766-D769 WeakPolarHBondContact CB-OD2 3.24Å; R766-D769 IonicContact CZ-OD1 2.65Å; R766-D769 IonicContact CZ-OD2 3.82Å; R766-D769 IonicContact NE-OD1 2.65Å; R766-D769 IonicContact NE-OD2 3.51Å; R766-D769 PolarHBondContact NE-OD2 3.49Å; R766-D769 VanDerWaalsContact NH2-CG 3.29Å; R766-D769 IonicContact NH2-OD1 2.62Å; R766-D769 PolarHBondContact NH2-OD1 3.39Å; R766-D769 IonicContact NH2-OD2 2.73Å; R766-D769 PolarHBondContact NH2-OD2 3.31Å; R766-D769 WeakPolarHBondContact O-CB 3.37Å; R766-D769 PolarHBondContact O-N 3.5Å; Q767-D769 PolarHBondContact O-N 2.86Å; D769-T772 PolarHBondContact O-N 2.8Å; D769-I773 WeakPolarHBondContact O-CD1 3.4Å; D769-I773 VanDerWaalsContact O-CG1 3.3Å; D769-I773 WeakPolarHBondContact O-CG1 3.32Å; D769-I773 PolarHBondContact O-N 2.76Å |
| 770 | L | 47.6 | Very low | 45.7 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -45.6 | 171.3 | -164.5 | 79.8 | 0 | 0 | 0 | 111.7 | I765 R766 Q767 T772 I773 V774 | I765-L770 HydrophobicContact CG2-CB 4.13Å; I765-L770 HydrophobicContact CG2-CD1 4.41Å; R766-L770 PolarHBondContact O-N 3.31Å; Q767-L770 WeakPolarHBondContact O-CB 3.38Å; Q767-L770 PolarHBondContact O-N 3.39Å; Q767-L770 VanDerWaalsContact O-N 3.12Å; L770-T772 VanDerWaalsContact C-N 3.28Å; L770-T772 PolarHBondContact O-N 2.82Å; L770-I773 PolarHBondContact O-N 2.65Å; L770-V774 WeakPolarHBondContact O-CG2 3.44Å; L770-V774 PolarHBondContact O-N 2.63Å |
| 771 | E | 49.5 | Very low | 45.6 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.8 | -35.6 | 176.5 | -72.4 | 167.7 | 177 | 0 | 0 | 112.1 | Q767 R775 | Q767-E771 HydrophobicContact CG-CG 4.22Å; Q767-E771 VanDerWaalsContact CG-OE1 3.3Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.37Å; Q767-E771 PolarHBondContact NE2-OE1 3.31Å; Q767-E771 WeakPolarHBondContact O-CG 3.32Å; Q767-E771 PolarHBondContact O-N 3Å; E771-R775 VanDerWaalsContact O-CB 3.25Å; E771-R775 WeakPolarHBondContact O-CB 3.39Å; E771-R775 PolarHBondContact O-N 2.82Å; E771-R775 VanDerWaalsContact O-N 3.17Å |
| 772 | T | 55.6 | Low | 46.1 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 43% | 0.429 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.8 | -48.2 | 174 | -56 | 0 | 0 | 0 | 0 | 110.8 | K768 D769 L770 V774 R775 E776 | K768-T772 PolarHBondContact O-N 2.88Å; K768-T772 VanDerWaalsContact O-N 3.08Å; K768-T772 PolarHBondContact O-OG1 2.92Å; D769-T772 PolarHBondContact O-N 2.8Å; L770-T772 VanDerWaalsContact C-N 3.28Å; L770-T772 PolarHBondContact O-N 2.82Å; T772-V774 PolarHBondContact O-N 3.01Å; T772-R775 PolarHBondContact O-N 3.24Å; T772-R775 VanDerWaalsContact O-N 3.16Å; T772-E776 PolarHBondContact O-N 2.85Å |
| 773 | I | 51.5 | Low | 46.7 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 42% | 0.421 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.6 | -46.2 | 178.9 | -70.1 | 162.8 | 0 | 0 | 0 | 111.5 | D769 L770 R775 E776 L777 | D769-I773 WeakPolarHBondContact O-CD1 3.4Å; D769-I773 VanDerWaalsContact O-CG1 3.3Å; D769-I773 WeakPolarHBondContact O-CG1 3.32Å; D769-I773 PolarHBondContact O-N 2.76Å; L770-I773 PolarHBondContact O-N 2.65Å; I773-R775 VanDerWaalsContact C-N 3.28Å; I773-R775 PolarHBondContact O-N 2.64Å; I773-E776 PolarHBondContact O-N 2.77Å; I773-L777 HydrophobicContact CG2-CD1 3.59Å; I773-L777 HydrophobicContact CG2-CG 4.28Å; I773-L777 WeakPolarHBondContact O-CB 3.17Å; I773-L777 VanDerWaalsContact O-CG 3.28Å; I773-L777 WeakPolarHBondContact O-CG 3.27Å; I773-L777 PolarHBondContact O-N 3.06Å |
| 774 | V | 50.7 | Low | 47.6 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61 | -38.8 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | L770 T772 | L770-V774 WeakPolarHBondContact O-CG2 3.44Å; L770-V774 PolarHBondContact O-N 2.63Å; T772-V774 PolarHBondContact O-N 3.01Å |
| 775 | R | 52.7 | Low | 48.2 | Very low | 200 Ų | 200 | 121 Ų | 121 | 76% | 0.755 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.1 | -33.1 | -178.8 | -167.6 | 175.3 | -173.7 | 178.3 | 1.9 | 113.2 | E771 T772 I773 | E771-R775 VanDerWaalsContact O-CB 3.25Å; E771-R775 WeakPolarHBondContact O-CB 3.39Å; E771-R775 PolarHBondContact O-N 2.82Å; E771-R775 VanDerWaalsContact O-N 3.17Å; T772-R775 PolarHBondContact O-N 3.24Å; T772-R775 VanDerWaalsContact O-N 3.16Å; I773-R775 VanDerWaalsContact C-N 3.28Å; I773-R775 PolarHBondContact O-N 2.64Å |
| 776 | E | 54.5 | Low | 48.5 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 76% | 0.757 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.3 | -27.4 | 176.2 | -69.9 | -172.4 | 169.4 | 0 | 0 | 113.4 | T772 I773 | T772-E776 PolarHBondContact O-N 2.85Å; I773-E776 PolarHBondContact O-N 2.77Å |
| 777 | L | 49.5 | Very low | 48.7 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -80.8 | -26.8 | -177.1 | -76.9 | 175.2 | 0 | 0 | 0 | 115.2 | I773 | I773-L777 HydrophobicContact CG2-CD1 3.59Å; I773-L777 HydrophobicContact CG2-CG 4.28Å; I773-L777 WeakPolarHBondContact O-CB 3.17Å; I773-L777 VanDerWaalsContact O-CG 3.28Å; I773-L777 WeakPolarHBondContact O-CG 3.27Å; I773-L777 PolarHBondContact O-N 3.06Å |
| 778 | Y | 47.3 | Very low | 48.5 | Very low | 164 Ų | 164 | 114.2 Ų | 114.2 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -122.2 | -14.6 | -165.6 | -75.3 | -79.4 | 0 | 0 | 0 | 116.7 | I780 | Y778-I780 PolarHBondContact O-N 2.73Å |
| 779 | D | 47.1 | Very low | 48 | Very low | 159 Ų | 159 | 116.2 Ų | 116.2 | 85% | 0.85 | 60% | 0.599 | S | S | * | * | trans | 52.8 | 24.4 | -179.7 | -151 | 25.7 | 0 | 0 | 0 | 114.7 | D781 | D779-D781 PolarHBondContact O-N 2.83Š| ||
| 780 | I | 45.7 | Very low | 47.4 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | trans | -81.4 | 110.4 | 179.5 | -63 | 170 | 0 | 0 | 0 | 109.5 | Y778 I782 | Y778-I780 PolarHBondContact O-N 2.73Å; I780-I782 HydrophobicContact CG2-CG1 4.32Å; I780-I782 PolarHBondContact O-N 2.81Å | ||
| 781 | D | 46.9 | Very low | 46.5 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 54% | 0.535 | 64% | 0.639 | S | S | . | * | trans | -78.8 | 101.7 | 169.1 | -163.2 | -11.2 | 0 | 0 | 0 | 111.1 | D779 R783 | D779-D781 PolarHBondContact O-N 2.83Å; D781-R783 PolarHBondContact O-N 3.16Å; D781-R783 VanDerWaalsContact OD1-CB 3.26Å; D781-R783 WeakPolarHBondContact OD1-CB 3.37Å; D781-R783 VanDerWaalsContact OD1-CG 3.27Å; D781-R783 WeakPolarHBondContact OD1-CG 3.32Å; D781-R783 IonicContact OD1-CZ 2.82Å; D781-R783 PolarHBondContact OD1-N 3.08Å; D781-R783 VanDerWaalsContact OD1-N 3.16Å; D781-R783 IonicContact OD1-NE 3.38Å; D781-R783 PolarHBondContact OD1-NE 2.94Å; D781-R783 IonicContact OD1-NH2 2.97Å; D781-R783 IonicContact OD2-CZ 2.77Å; D781-R783 IonicContact OD2-NE 3.07Å; D781-R783 PolarHBondContact OD2-NE 3.15Å; D781-R783 IonicContact OD2-NH2 3.34Å; D781-R783 PolarHBondContact OD2-NH2 3.12Å | ||
| 782 | I | 47.9 | Very low | 45.6 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 57% | 0.569 | 66% | 0.659 | S | S | * | * | trans | -79.4 | 6.3 | -178.1 | -20.8 | 179.6 | 0 | 0 | 0 | 112.8 | I780 G784 | I780-I782 HydrophobicContact CG2-CG1 4.32Å; I780-I782 PolarHBondContact O-N 2.81Å; I782-G784 PolarHBondContact O-N 3.18Å | ||
| 783 | R | 44.5 | Very low | 44.4 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 73.6 | -176.7 | -64.3 | 176.6 | -69.1 | -179.7 | 1.1 | 112.3 | D781 | D781-R783 PolarHBondContact O-N 3.16Å; D781-R783 VanDerWaalsContact OD1-CB 3.26Å; D781-R783 WeakPolarHBondContact OD1-CB 3.37Å; D781-R783 VanDerWaalsContact OD1-CG 3.27Å; D781-R783 WeakPolarHBondContact OD1-CG 3.32Å; D781-R783 IonicContact OD1-CZ 2.82Å; D781-R783 PolarHBondContact OD1-N 3.08Å; D781-R783 VanDerWaalsContact OD1-N 3.16Å; D781-R783 IonicContact OD1-NE 3.38Å; D781-R783 PolarHBondContact OD1-NE 2.94Å; D781-R783 IonicContact OD1-NH2 2.97Å; D781-R783 IonicContact OD2-CZ 2.77Å; D781-R783 IonicContact OD2-NE 3.07Å; D781-R783 PolarHBondContact OD2-NE 3.15Å; D781-R783 IonicContact OD2-NH2 3.34Å; D781-R783 PolarHBondContact OD2-NH2 3.12Å |
| 784 | G | 50.2 | Low | 43.5 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.9 | -16.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | I782 D786 | I782-G784 PolarHBondContact O-N 3.18Å; G784-D786 PolarHBondContact O-N 3.49Å |
| 785 | T | 44.4 | Very low | 42.8 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -85.6 | 108 | -174.2 | 5.1 | 0 | 0 | 0 | 0 | 112.7 | P787 | T785-P787 VanDerWaalsContact O-CD 3.23Å; T785-P787 WeakPolarHBondContact O-CD 3.28Å | ||
| 786 | D | 46 | Very low | 41.9 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 40% | 0.396 | 71% | 0.713 | S | S | . | * | trans | -58.1 | 113.7 | 172.3 | 168.6 | 18.5 | 0 | 0 | 0 | 112.1 | G784 S788 K789 | G784-D786 PolarHBondContact O-N 3.49Å; D786-S788 VanDerWaalsContact C-N 3.28Å; D786-S788 VanDerWaalsContact CG-OG 3.25Å; D786-S788 PolarHBondContact O-N 3.08Å; D786-S788 VanDerWaalsContact OD1-CB 3.23Å; D786-S788 WeakPolarHBondContact OD1-CB 3.47Å; D786-S788 PolarHBondContact OD1-N 2.83Å; D786-S788 PolarHBondContact OD1-OG 3.1Å; D786-S788 PolarHBondContact OD2-OG 3.13Å; D786-S788 VanDerWaalsContact OD2-OG 3.12Å; D786-K789 VanDerWaalsContact OD2-CE 3.28Å; D786-K789 WeakPolarHBondContact OD2-CE 3.12Å | ||
| 787 | P | 44.7 | Very low | 41 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -72.3 | -15.1 | -179.2 | -18.7 | 33.5 | 0 | 0 | 0 | 114.5 | T785 K789 | T785-P787 VanDerWaalsContact O-CD 3.23Å; T785-P787 WeakPolarHBondContact O-CD 3.28Å; P787-K789 PolarHBondContact O-N 2.78Å |
| 788 | S | 41.5 | Very low | 40.2 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -71.6 | -14.3 | -167 | 71.8 | 0 | 0 | 0 | 0 | 114.9 | D786 F790 | D786-S788 VanDerWaalsContact C-N 3.28Å; D786-S788 VanDerWaalsContact CG-OG 3.25Å; D786-S788 PolarHBondContact O-N 3.08Å; D786-S788 VanDerWaalsContact OD1-CB 3.23Å; D786-S788 WeakPolarHBondContact OD1-CB 3.47Å; D786-S788 PolarHBondContact OD1-N 2.83Å; D786-S788 PolarHBondContact OD1-OG 3.1Å; D786-S788 PolarHBondContact OD2-OG 3.13Å; D786-S788 VanDerWaalsContact OD2-OG 3.12Å; S788-F790 VanDerWaalsContact C-N 3.32Å; S788-F790 PolarHBondContact O-N 2.58Å |
| 789 | K | 40.2 | Very low | 39.6 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -82 | -1.4 | -174.4 | -64.7 | -176 | 180 | 176.6 | 0 | 115 | D786 P787 | D786-K789 VanDerWaalsContact OD2-CE 3.28Å; D786-K789 WeakPolarHBondContact OD2-CE 3.12Å; P787-K789 PolarHBondContact O-N 2.78Å |
| 790 | F | 36.9 | Very low | 38.8 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -109.5 | 96.1 | 179 | -64.1 | -82.7 | 0 | 0 | 0 | 111.5 | S788 | S788-F790 VanDerWaalsContact C-N 3.32Å; S788-F790 PolarHBondContact O-N 2.58Å | ||
| 791 | K | 29 | Very low | 38.3 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -110.8 | 118.5 | 171.1 | -77.6 | -173.7 | 175.1 | -178.1 | 0 | 111.1 | ||||
| 792 | F | 31.2 | Very low | 37.9 | Very low | 207 Ų | 207 | 139.7 Ų | 139.7 | 91% | 0.908 | 75% | 0.748 | S | S | * | * | trans | -142.2 | 143.9 | 159.2 | -88 | -79.6 | 0 | 0 | 0 | 109.8 | ||||
| 793 | N | 29.6 | Very low | 37.4 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -88.7 | 137.1 | -171.7 | -62.3 | -25.4 | 0 | 0 | 0 | 111.6 | ||||
| 794 | Y | 33.1 | Very low | 37.1 | Very low | 231 Ų | 231 | 132.4 Ų | 132.4 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -135 | 157.1 | 162.5 | -90.9 | -84 | 0 | 0 | 0 | 111 | ||||
| 795 | G | 36 | Very low | 36.7 | Very low | 58 Ų | 58 | 134.7 Ų | 134.7 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | trans | -72.1 | 177.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S797 | G795-S797 PolarHBondContact O-N 2.55Š| ||
| 796 | P | 33.1 | Very low | 36.4 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 92% | 0.922 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -81.4 | 90.9 | -161.5 | 32.1 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 797 | S | 36.5 | Very low | 36.1 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -150.5 | 141.1 | 142.6 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | G795 Q799 | G795-S797 PolarHBondContact O-N 2.55Å; S797-Q799 PolarHBondContact O-N 3.15Å | ||
| 798 | H | 32.4 | Very low | 36 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 88% | 0.884 | 74% | 0.74 | S | S | * | * | trans | -78.4 | 122.3 | -171.7 | -68.7 | -103.5 | 0 | 0 | 0 | 112 | ||||
| 799 | Q | 33.8 | Very low | 36.1 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | -172.1 | 143.8 | 115.1 | -99.3 | 163.5 | 29 | 0 | 0 | 112.2 | S797 | S797-Q799 PolarHBondContact O-N 3.15Š| |||
| 800 | T | 31.5 | Very low | 35.9 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | -111.6 | 118.3 | -167.5 | 49 | 0 | 0 | 0 | 0 | 113 | ||||
| 801 | V | 34.5 | Very low | 36.1 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -140.2 | 147.6 | 154.6 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 802 | S | 39.7 | Very low | 36.7 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 56% | 0.559 | 70% | 0.697 | S | S | * | * | trans | -91.6 | 145.2 | -160.7 | 52.4 | 0 | 0 | 0 | 0 | 116.6 | L804 H805 | S802-L804 VanDerWaalsContact C-N 3.31Å; S802-L804 PolarHBondContact O-N 3.15Å; S802-H805 PolarHBondContact O-N 3.28Å; S802-H805 VanDerWaalsContact O-N 3.15Å | ||
| 803 | G | 37.5 | Very low | 37 | Very low | 53 Ų | 53 | 124.9 Ų | 124.9 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 34.4 | -68.9 | 143 | 0 | 0 | 0 | 0 | 0 | 119.9 | H805 Y806 | G803-H805 PolarHBondContact O-N 2.91Å; G803-H805 VanDerWaalsContact O-N 3.16Å; G803-Y806 WeakPolarHBondContact O-CB 3.39Å; G803-Y806 PolarHBondContact O-N 3.45Å |
| 804 | L | 37.7 | Very low | 37.4 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 58% | 0.581 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -57.9 | -29.3 | -177.4 | -163.9 | 70.3 | 0 | 0 | 0 | 112.3 | S802 Y806 W807 L808 | S802-L804 VanDerWaalsContact C-N 3.31Å; S802-L804 PolarHBondContact O-N 3.15Å; L804-Y806 PolarHBondContact O-N 2.9Å; L804-W807 PolarHBondContact O-N 2.82Å; L804-L808 HydrophobicContact CG-CD1 4.45Å; L804-L808 PolarHBondContact O-N 3.35Å |
| 805 | H | 41.3 | Very low | 37.7 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 57% | 0.569 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -59.3 | -34.3 | 172.7 | -128.2 | 85.2 | 0 | 0 | 0 | 112.3 | S802 G803 T809 | S802-H805 PolarHBondContact O-N 3.28Å; S802-H805 VanDerWaalsContact O-N 3.15Å; G803-H805 PolarHBondContact O-N 2.91Å; G803-H805 VanDerWaalsContact O-N 3.16Å; H805-T809 WeakPolarHBondContact O-CB 3.33Å; H805-T809 PolarHBondContact O-N 3.3Å; H805-T809 PolarHBondContact O-OG1 3.1Å |
| 806 | Y | 37.8 | Very low | 37.7 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.2 | -42.7 | -176.6 | -154.1 | -94 | 0 | 0 | 0 | 111.6 | G803 L804 Y810 | G803-Y806 WeakPolarHBondContact O-CB 3.39Å; G803-Y806 PolarHBondContact O-N 3.45Å; L804-Y806 PolarHBondContact O-N 2.9Å; Y806-Y810 AromaticContact CD1-CD2 3.7Å; Y806-Y810 HydrophobicContact CD1-CD2 3.7Å; Y806-Y810 AromaticContact CD1-CE2 4Å; Y806-Y810 HydrophobicContact CD1-CE2 4Å; Y806-Y810 HydrophobicContact CD1-CG 4.41Å; Y806-Y810 HydrophobicContact CD2-CD2 4.48Å; Y806-Y810 HydrophobicContact CD2-CE2 4.33Å; Y806-Y810 AromaticContact CE1-CD2 3.53Å; Y806-Y810 HydrophobicContact CE1-CD2 3.53Å; Y806-Y810 AromaticContact CE1-CE2 3.38Å; Y806-Y810 HydrophobicContact CE1-CE2 3.38Å; Y806-Y810 HydrophobicContact CE1-CG 4.22Å; Y806-Y810 AromaticContact CE1-CZ 3.97Å; Y806-Y810 HydrophobicContact CE2-CD2 4.34Å; Y806-Y810 AromaticContact CE2-CE2 3.77Å; Y806-Y810 HydrophobicContact CE2-CE2 3.77Å; Y806-Y810 HydrophobicContact CG-CD2 4.2Å; Y806-Y810 HydrophobicContact CG-CE2 4.44Å; Y806-Y810 AromaticContact CZ-CD2 3.88Å; Y806-Y810 AromaticContact CZ-CE2 3.26Å; Y806-Y810 AromaticContact CZ-CZ 3.82Å; Y806-Y810 VanDerWaalsContact O-CB 3.29Å; Y806-Y810 WeakPolarHBondContact O-CB 3.21Å; Y806-Y810 WeakPolarHBondContact O-CD2 3.48Å; Y806-Y810 PolarHBondContact O-N 3.08Å; Y806-Y810 WeakPolarHBondContact OH-CE2 3.44Å; Y806-Y810 PolarHBondContact OH-OH 3.11Å |
| 807 | W | 40.7 | Very low | 38.1 | Very low | 216 Ų | 216 | 120.1 Ų | 120.1 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.4 | -41 | 177.2 | -106 | 84.3 | 0 | 0 | 0 | 113.1 | L804 Y810 G811 | L804-W807 PolarHBondContact O-N 2.82Å; W807-Y810 PolarHBondContact O-N 2.88Å; W807-G811 PolarHBondContact O-N 3.48Å |
| 808 | L | 42.7 | Very low | 38.2 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65 | -40.6 | 174.6 | -87.1 | 159.6 | 0 | 0 | 0 | 112 | L804 L812 | L804-L808 HydrophobicContact CG-CD1 4.45Å; L804-L808 PolarHBondContact O-N 3.35Å; L808-L812 WeakPolarHBondContact O-CB 3.39Å; L808-L812 VanDerWaalsContact O-CG 3.3Å; L808-L812 WeakPolarHBondContact O-CG 3.41Å; L808-L812 PolarHBondContact O-N 3.38Å; L808-L812 VanDerWaalsContact O-N 3.13Å |
| 809 | T | 42.1 | Very low | 38.5 | Very low | 61 Ų | 61 | 115.3 Ų | 115.3 | 37% | 0.374 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72 | -36.6 | 177.6 | -47.1 | 0 | 0 | 0 | 0 | 111.4 | H805 L812 L813 | H805-T809 WeakPolarHBondContact O-CB 3.33Å; H805-T809 PolarHBondContact O-N 3.3Å; H805-T809 PolarHBondContact O-OG1 3.1Å; T809-L812 CarbonylContact O-C 3.55Å; T809-L812 PolarHBondContact O-N 2.84Å; T809-L813 HydrophobicContact CG2-CD1 4.27Å; T809-L813 WeakPolarHBondContact O-CB 3.49Å; T809-L813 PolarHBondContact O-N 2.82Å |
| 810 | Y | 37.2 | Very low | 38.7 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 50% | 0.498 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.1 | -37.7 | 176.1 | -93.2 | -102.1 | 0 | 0 | 0 | 113.2 | Y806 W807 L812 L813 | Y806-Y810 AromaticContact CD1-CD2 3.7Å; Y806-Y810 HydrophobicContact CD1-CD2 3.7Å; Y806-Y810 AromaticContact CD1-CE2 4Å; Y806-Y810 HydrophobicContact CD1-CE2 4Å; Y806-Y810 HydrophobicContact CD1-CG 4.41Å; Y806-Y810 HydrophobicContact CD2-CD2 4.48Å; Y806-Y810 HydrophobicContact CD2-CE2 4.33Å; Y806-Y810 AromaticContact CE1-CD2 3.53Å; Y806-Y810 HydrophobicContact CE1-CD2 3.53Å; Y806-Y810 AromaticContact CE1-CE2 3.38Å; Y806-Y810 HydrophobicContact CE1-CE2 3.38Å; Y806-Y810 HydrophobicContact CE1-CG 4.22Å; Y806-Y810 AromaticContact CE1-CZ 3.97Å; Y806-Y810 HydrophobicContact CE2-CD2 4.34Å; Y806-Y810 AromaticContact CE2-CE2 3.77Å; Y806-Y810 HydrophobicContact CE2-CE2 3.77Å; Y806-Y810 HydrophobicContact CG-CD2 4.2Å; Y806-Y810 HydrophobicContact CG-CE2 4.44Å; Y806-Y810 AromaticContact CZ-CD2 3.88Å; Y806-Y810 AromaticContact CZ-CE2 3.26Å; Y806-Y810 AromaticContact CZ-CZ 3.82Å; Y806-Y810 VanDerWaalsContact O-CB 3.29Å; Y806-Y810 WeakPolarHBondContact O-CB 3.21Å; Y806-Y810 WeakPolarHBondContact O-CD2 3.48Å; Y806-Y810 PolarHBondContact O-N 3.08Å; Y806-Y810 WeakPolarHBondContact OH-CE2 3.44Å; Y806-Y810 PolarHBondContact OH-OH 3.11Å; W807-Y810 PolarHBondContact O-N 2.88Å; Y810-L812 VanDerWaalsContact C-N 3.27Å; Y810-L812 PolarHBondContact O-N 2.73Å; Y810-L813 HydrophobicContact CD2-CD1 4.05Å; Y810-L813 HydrophobicContact CE2-CD1 3.99Å; Y810-L813 HydrophobicContact CG-CD1 4.33Å; Y810-L813 WeakPolarHBondContact O-CB 3.45Å; Y810-L813 PolarHBondContact O-N 3.15Å |
| 811 | G | 41.1 | Very low | 38.9 | Very low | 53 Ų | 53 | 110.9 Ų | 110.9 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -31.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W807 L813 | W807-G811 PolarHBondContact O-N 3.48Å; G811-L813 VanDerWaalsContact C-N 3.31Å |
| 812 | L | 41.3 | Very low | 39.2 | Very low | 112 Ų | 112 | 107.4 Ų | 107.4 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.9 | 170.9 | -68.1 | 170.3 | 0 | 0 | 0 | 113.5 | L808 T809 Y810 L815 | L808-L812 WeakPolarHBondContact O-CB 3.39Å; L808-L812 VanDerWaalsContact O-CG 3.3Å; L808-L812 WeakPolarHBondContact O-CG 3.41Å; L808-L812 PolarHBondContact O-N 3.38Å; L808-L812 VanDerWaalsContact O-N 3.13Å; T809-L812 CarbonylContact O-C 3.55Å; T809-L812 PolarHBondContact O-N 2.84Å; Y810-L812 VanDerWaalsContact C-N 3.27Å; Y810-L812 PolarHBondContact O-N 2.73Å; L812-L815 HydrophobicContact CD2-CD1 4.07Å |
| 813 | L | 36.5 | Very low | 39.1 | Very low | 70 Ų | 70 | 109.9 Ų | 109.9 | 37% | 0.366 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | -22.5 | -176.7 | -112.1 | 153.5 | 0 | 0 | 0 | 113.6 | T809 Y810 G811 L815 N816 | T809-L813 HydrophobicContact CG2-CD1 4.27Å; T809-L813 WeakPolarHBondContact O-CB 3.49Å; T809-L813 PolarHBondContact O-N 2.82Å; Y810-L813 HydrophobicContact CD2-CD1 4.05Å; Y810-L813 HydrophobicContact CE2-CD1 3.99Å; Y810-L813 HydrophobicContact CG-CD1 4.33Å; Y810-L813 WeakPolarHBondContact O-CB 3.45Å; Y810-L813 PolarHBondContact O-N 3.15Å; G811-L813 VanDerWaalsContact C-N 3.31Å; L813-L815 PolarHBondContact O-N 3.48Å; L813-N816 HydrophobicContact CD2-CB 3.93Å; L813-N816 WeakPolarHBondContact CD2-ND2 3.34Å; L813-N816 HydrophobicContact CG-CB 4.41Å; L813-N816 WeakPolarHBondContact O-CB 3.43Å; L813-N816 PolarHBondContact O-N 2.84Å |
| 814 | E | 38.4 | Very low | 39 | Very low | 186 Ų | 186 | 115.3 Ų | 115.3 | 87% | 0.869 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -69 | -26.5 | 165 | -68.5 | -155.5 | 137.6 | 0 | 0 | 111.9 | N816 | E814-N816 PolarHBondContact O-N 2.99Š|
| 815 | L | 39.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 113 Ų | 113 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -73.8 | -7.2 | 168.4 | -64.1 | 171.8 | 0 | 0 | 0 | 113.1 | L812 L813 N817 | L812-L815 HydrophobicContact CD2-CD1 4.07Å; L813-L815 PolarHBondContact O-N 3.48Å; L815-N817 VanDerWaalsContact C-N 3.25Å; L815-N817 PolarHBondContact O-N 2.85Å |
| 816 | N | 37.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 108.9 Ų | 108.9 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -82 | 3.6 | -174.5 | -158.7 | 20.5 | 0 | 0 | 0 | 113.9 | L813 E814 K818 | L813-N816 HydrophobicContact CD2-CB 3.93Å; L813-N816 WeakPolarHBondContact CD2-ND2 3.34Å; L813-N816 HydrophobicContact CG-CB 4.41Å; L813-N816 WeakPolarHBondContact O-CB 3.43Å; L813-N816 PolarHBondContact O-N 2.84Å; E814-N816 PolarHBondContact O-N 2.99Å; N816-K818 PolarHBondContact O-N 2.96Å |
| 817 | N | 40.2 | Very low | 38.9 | Very low | 80 Ų | 80 | 109 Ų | 109 | 43% | 0.428 | 54% | 0.542 | S | S | . | . | trans | -72.1 | 78.4 | 156 | -171.6 | -15.8 | 0 | 0 | 0 | 109 | L815 A819 K820 F821 | L815-N817 VanDerWaalsContact C-N 3.25Å; L815-N817 PolarHBondContact O-N 2.85Å; N817-A819 PolarHBondContact O-N 3.21Å; N817-A819 VanDerWaalsContact O-N 3.14Å; N817-A819 WeakPolarHBondContact OD1-CB 3.1Å; N817-A819 PolarHBondContact OD1-N 3.27Å; N817-K820 HydrophobicContact CB-CB 4.02Å; N817-K820 WeakPolarHBondContact O-CA 3.4Å; N817-K820 WeakPolarHBondContact O-CB 3.44Å; N817-K820 PolarHBondContact O-N 3.37Å; N817-K820 PolarHBondContact OD1-N 3.15Å; N817-F821 PolarHBondContact O-N 3.45Å | ||
| 818 | K | 38.9 | Very low | 39.1 | Very low | 138 Ų | 138 | 103.1 Ų | 103.1 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55.2 | -29.2 | 177.5 | -178.8 | 174.1 | 179.2 | 173.2 | 0 | 112.5 | N816 F821 E822 | N816-K818 PolarHBondContact O-N 2.96Å; K818-F821 PolarHBondContact O-N 3.43Å; K818-E822 WeakPolarHBondContact CE-OE1 3.41Å; K818-E822 HydrophobicContact CG-CG 4.35Å; K818-E822 WeakPolarHBondContact O-CB 3.48Å; K818-E822 VanDerWaalsContact O-CG 3.26Å; K818-E822 WeakPolarHBondContact O-CG 3.48Å; K818-E822 PolarHBondContact O-N 3.41Å |
| 819 | A | 39.1 | Very low | 39.9 | Very low | 65 Ų | 65 | 102.2 Ų | 102.2 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N817 F821 E822 E823 | N817-A819 PolarHBondContact O-N 3.21Å; N817-A819 VanDerWaalsContact O-N 3.14Å; N817-A819 WeakPolarHBondContact OD1-CB 3.1Å; N817-A819 PolarHBondContact OD1-N 3.27Å; A819-F821 VanDerWaalsContact C-N 3.29Å; A819-F821 PolarHBondContact O-N 2.88Å; A819-E822 CarbonylContact O-C 3.42Å; A819-E822 PolarHBondContact O-N 3.31Å; A819-E823 VanDerWaalsContact O-CB 3.22Å; A819-E823 WeakPolarHBondContact O-CB 3.2Å; A819-E823 PolarHBondContact O-N 3.44Å |
| 820 | K | 38.6 | Very low | 41.1 | Very low | 137 Ų | 137 | 100.2 Ų | 100.2 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -33.2 | 171.9 | -93.5 | -171.1 | 171.8 | -170 | 0 | 113.5 | N817 E823 Y824 | N817-K820 HydrophobicContact CB-CB 4.02Å; N817-K820 WeakPolarHBondContact O-CA 3.4Å; N817-K820 WeakPolarHBondContact O-CB 3.44Å; N817-K820 PolarHBondContact O-N 3.37Å; N817-K820 PolarHBondContact OD1-N 3.15Å; K820-E823 WeakPolarHBondContact CG-OE2 3.29Å; K820-Y824 VanDerWaalsContact O-CB 3.25Å; K820-Y824 WeakPolarHBondContact O-CB 3.41Å; K820-Y824 PolarHBondContact O-N 3.18Å |
| 821 | F | 35.5 | Very low | 43.1 | Very low | 102 Ų | 102 | 94.9 Ų | 94.9 | 45% | 0.447 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.2 | -39.7 | 174.1 | -166 | -110 | 0 | 0 | 0 | 111.6 | N817 K818 A819 E823 Y824 L825 | N817-F821 PolarHBondContact O-N 3.45Å; K818-F821 PolarHBondContact O-N 3.43Å; A819-F821 VanDerWaalsContact C-N 3.29Å; A819-F821 PolarHBondContact O-N 2.88Å; F821-E823 VanDerWaalsContact C-N 3.28Å; F821-E823 PolarHBondContact O-N 3.01Å; F821-Y824 PolarHBondContact O-N 2.94Å; F821-L825 HydrophobicContact CD1-CD1 3.75Å; F821-L825 HydrophobicContact CD1-CG 4.26Å; F821-L825 HydrophobicContact CE1-CD1 3.68Å; F821-L825 HydrophobicContact CE1-CD2 4.42Å; F821-L825 HydrophobicContact CE1-CG 4.14Å; F821-L825 HydrophobicContact CZ-CD1 4.44Å; F821-L825 HydrophobicContact CZ-CD2 4.41Å; F821-L825 HydrophobicContact CZ-CG 4.46Å; F821-L825 VanDerWaalsContact O-CB 3.29Å; F821-L825 WeakPolarHBondContact O-CB 3.16Å; F821-L825 WeakPolarHBondContact O-CG 3.23Å; F821-L825 PolarHBondContact O-N 3.29Å |
| 822 | E | 39.7 | Very low | 45.2 | Very low | 59 Ų | 59 | 92.5 Ų | 92.5 | 28% | 0.276 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.3 | -26.1 | 172 | -71.7 | -176.7 | 157 | 0 | 0 | 112.8 | R610 K818 A819 G826 | R610-E822 VanDerWaalsContact CZ-CD 3.45Å; R610-E822 IonicContact CZ-OE1 2.72Å; R610-E822 VanDerWaalsContact CZ-OE1 3.26Å; R610-E822 IonicContact CZ-OE2 3.2Å; R610-E822 IonicContact NH1-OE1 2.73Å; R610-E822 PolarHBondContact NH1-OE1 2.89Å; R610-E822 IonicContact NH1-OE2 2.75Å; R610-E822 PolarHBondContact NH1-OE2 3.44Å; R610-E822 IonicContact NH2-OE1 2.71Å; R610-E822 PolarHBondContact NH2-OE1 3.37Å; R610-E822 IonicContact NH2-OE2 2.88Å; R610-E822 PolarHBondContact NH2-OE2 2.85Å; K818-E822 WeakPolarHBondContact CE-OE1 3.41Å; K818-E822 HydrophobicContact CG-CG 4.35Å; K818-E822 WeakPolarHBondContact O-CB 3.48Å; K818-E822 VanDerWaalsContact O-CG 3.26Å; K818-E822 WeakPolarHBondContact O-CG 3.48Å; K818-E822 PolarHBondContact O-N 3.41Å; A819-E822 CarbonylContact O-C 3.42Å; A819-E822 PolarHBondContact O-N 3.31Å; E822-G826 PolarHBondContact O-N 2.74Å |
| 823 | E | 38.9 | Very low | 47.2 | Very low | 131 Ų | 131 | 87.3 Ų | 87.3 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -74.2 | -48.4 | 172.1 | -178.5 | 178.1 | -147.9 | 0 | 0 | 111.4 | A819 K820 F821 L825 G826 E827 | A819-E823 VanDerWaalsContact O-CB 3.22Å; A819-E823 WeakPolarHBondContact O-CB 3.2Å; A819-E823 PolarHBondContact O-N 3.44Å; K820-E823 WeakPolarHBondContact CG-OE2 3.29Å; F821-E823 VanDerWaalsContact C-N 3.28Å; F821-E823 PolarHBondContact O-N 3.01Å; E823-L825 VanDerWaalsContact C-N 3.33Å; E823-L825 PolarHBondContact O-N 2.67Å; E823-G826 VanDerWaalsContact O-CA 3.28Å; E823-G826 WeakPolarHBondContact O-CA 3.29Å; E823-G826 PolarHBondContact O-N 2.95Å; E823-E827 PolarHBondContact O-N 3.41Å |
| 824 | Y | 35.3 | Very low | 49.6 | Very low | 167 Ų | 167 | 84.6 Ų | 84.6 | 66% | 0.655 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.5 | -32.1 | 175.6 | -163.5 | -104.2 | 0 | 0 | 0 | 112.8 | K820 F821 G826 E827 | K820-Y824 VanDerWaalsContact O-CB 3.25Å; K820-Y824 WeakPolarHBondContact O-CB 3.41Å; K820-Y824 PolarHBondContact O-N 3.18Å; F821-Y824 PolarHBondContact O-N 2.94Å; Y824-G826 PolarHBondContact O-N 3.42Å; Y824-E827 PolarHBondContact O-N 3.35Å |
| 825 | L | 35.3 | Very low | 51.9 | Low | 63 Ų | 63 | 75.7 Ų | 75.7 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -68.5 | -23.1 | 167.1 | -71.9 | 173 | 0 | 0 | 0 | 112.4 | F821 E823 E827 I828 | F821-L825 HydrophobicContact CD1-CD1 3.75Å; F821-L825 HydrophobicContact CD1-CG 4.26Å; F821-L825 HydrophobicContact CE1-CD1 3.68Å; F821-L825 HydrophobicContact CE1-CD2 4.42Å; F821-L825 HydrophobicContact CE1-CG 4.14Å; F821-L825 HydrophobicContact CZ-CD1 4.44Å; F821-L825 HydrophobicContact CZ-CD2 4.41Å; F821-L825 HydrophobicContact CZ-CG 4.46Å; F821-L825 VanDerWaalsContact O-CB 3.29Å; F821-L825 WeakPolarHBondContact O-CB 3.16Å; F821-L825 WeakPolarHBondContact O-CG 3.23Å; F821-L825 PolarHBondContact O-N 3.29Å; E823-L825 VanDerWaalsContact C-N 3.33Å; E823-L825 PolarHBondContact O-N 2.67Å; L825-E827 VanDerWaalsContact C-N 3.34Å; L825-I828 HydrophobicContact CD2-CD1 3.61Å; L825-I828 WeakPolarHBondContact O-CB 3.34Å; L825-I828 PolarHBondContact O-N 3.37Å |
| 826 | G | 38.1 | Very low | 54.4 | Low | 37 Ų | 37 | 74 Ų | 74 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -73.2 | -21.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E822 E823 Y824 | E822-G826 PolarHBondContact O-N 2.74Å; E823-G826 VanDerWaalsContact O-CA 3.28Å; E823-G826 WeakPolarHBondContact O-CA 3.29Å; E823-G826 PolarHBondContact O-N 2.95Å; Y824-G826 PolarHBondContact O-N 3.42Å |
| 827 | E | 42 | Very low | 57.1 | Low | 154 Ų | 154 | 68.9 Ų | 68.9 | 72% | 0.72 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -84.4 | -6.7 | 172.6 | -64.2 | -164.3 | 131 | 0 | 0 | 113.5 | E823 Y824 L825 N829 | E823-E827 PolarHBondContact O-N 3.41Å; Y824-E827 PolarHBondContact O-N 3.35Å; L825-E827 VanDerWaalsContact C-N 3.34Å; E827-N829 PolarHBondContact O-N 3.49Å |
| 828 | I | 44.4 | Very low | 59.6 | Low | 93 Ų | 93 | 65.9 Ų | 65.9 | 48% | 0.477 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -66.3 | 128.4 | 175.2 | -63.7 | -178.3 | 0 | 0 | 0 | 108.8 | L825 A830 | L825-I828 HydrophobicContact CD2-CD1 3.61Å; L825-I828 WeakPolarHBondContact O-CB 3.34Å; L825-I828 PolarHBondContact O-N 3.37Å; I828-A830 PolarHBondContact O-N 3.16Å |
| 829 | N | 59.4 | Low | 62 | Low | 93 Ų | 93 | 60 Ų | 60 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | trans | -71.2 | 68.1 | 174.7 | -84.6 | -85.5 | 0 | 0 | 0 | 111 | E827 R852 | E827-N829 PolarHBondContact O-N 3.49Å; N829-R852 VanDerWaalsContact OD1-CZ 3.29Å; N829-R852 PolarHBondContact OD1-NE 3.27Å; N829-R852 PolarHBondContact OD1-NH2 3.21Å | ||
| 830 | A | 66.8 | Low | 64.2 | Low | 18 Ų | 18 | 59.6 Ų | 59.6 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -58.6 | 127 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | I828 A832 | I828-A830 PolarHBondContact O-N 3.16Å; A830-A832 WeakPolarHBondContact CB-O 3.27Å; A830-A832 PolarHBondContact O-N 3.47Å | ||
| 831 | P | 79.9 | Confident | 66.6 | Low | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.104 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -78.3 | 5.2 | 178.6 | 30 | -28.2 | 0 | 0 | 0 | 112.4 | L850 L851 L878 C881 I883 | P831-L850 CarbonylContact O-C 3.54Å; P831-L850 WeakPolarHBondContact O-CA 3.08Å; P831-L851 PolarHBondContact O-N 3.33Å; P831-L878 HydrophobicContact CB-CD2 4.14Å; P831-L878 HydrophobicContact CB-CG 4.09Å; P831-L878 HydrophobicContact CG-CG 4.42Å; P831-L878 WeakPolarHBondContact CG-O 3.5Å; P831-C881 WeakPolarHBondContact CD-SG 3.24Å; P831-C881 HydrophobicContact CG-CB 4.08Å; P831-I883 HydrophobicContact CG-CD1 4.46Å |
| 832 | A | 83.7 | Confident | 69.2 | Low | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | A830 F849 L850 I883 A904 | A830-A832 WeakPolarHBondContact CB-O 3.27Å; A830-A832 PolarHBondContact O-N 3.47Å; A832-F849 CarbonylContact C-O 3.44Å; A832-F849 WeakPolarHBondContact CA-O 3.25Å; A832-F849 WeakPolarHBondContact CB-O 3.37Å; A832-L850 HydrophobicContact CB-CD2 4.27Å; A832-I883 HydrophobicContact CB-CD1 3.84Å; A832-A904 HydrophobicContact CB-CB 3.88Å |
| 833 | A | 84.5 | Confident | 71.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 148.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y607 F620 S848 F849 L851 | Y607-A833 HydrophobicContact CE1-CB 3.8Å; F620-A833 HydrophobicContact CZ-CB 3.81Å; A833-S848 CarbonylContact O-C 3.45Å; A833-S848 VanDerWaalsContact O-CA 3.3Å; A833-S848 WeakPolarHBondContact O-CA 3.16Å; A833-F849 PolarHBondContact N-O 3.04Å; A833-F849 PolarHBondContact O-N 3.16Å; A833-L851 HydrophobicContact CB-CD1 4.01Å; A833-L851 HydrophobicContact CB-CD2 4.27Å; A833-L851 HydrophobicContact CB-CG 4.23Å |
| 834 | V | 86 | Confident | 74.1 | Confident | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.8 | 171.2 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | Y756 F757 R846 G847 | Y756-V834 CarbonylContact C-O 3.4Å; Y756-V834 WeakPolarHBondContact CA-O 3.38Å; F757-V834 HydrophobicContact CB-CG1 4.42Å; F757-V834 HydrophobicContact CD2-CG1 4.12Å; F757-V834 PolarHBondContact N-O 3.07Å; V834-R846 HydrophobicContact CG1-CB 4.38Å; V834-G847 CarbonylContact C-O 3.55Å; V834-G847 WeakPolarHBondContact CA-O 3.37Å; V834-G847 WeakPolarHBondContact CG1-O 3.46Å |
| 835 | I | 87.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.7 | -168.7 | 55.1 | 167.5 | 0 | 0 | 0 | 112.3 | F620 F742 Y753 Y837 G847 F849 | F620-I835 HydrophobicContact CD1-CD1 4.04Å; F620-I835 HydrophobicContact CD2-CG2 4.28Å; F620-I835 HydrophobicContact CE1-CD1 4.35Å; F620-I835 HydrophobicContact CE2-CG2 4.13Å; F620-I835 HydrophobicContact CG-CD1 4.38Å; F620-I835 HydrophobicContact CZ-CG2 4.39Å; F742-I835 HydrophobicContact CD2-CD1 4.39Å; F742-I835 HydrophobicContact CE1-CD1 4.32Å; F742-I835 HydrophobicContact CE2-CD1 3.65Å; F742-I835 HydrophobicContact CZ-CD1 3.61Å; Y753-I835 HydrophobicContact CD2-CB 4.27Å; Y753-I835 HydrophobicContact CD2-CD1 4.4Å; Y753-I835 HydrophobicContact CD2-CG2 4.47Å; Y753-I835 HydrophobicContact CE2-CB 3.71Å; Y753-I835 HydrophobicContact CE2-CD1 4.48Å; Y753-I835 HydrophobicContact CE2-CG2 3.58Å; I835-Y837 HydrophobicContact CD1-CD1 4.11Å; I835-Y837 HydrophobicContact CG1-CD1 4.17Å; I835-G847 PolarHBondContact N-O 2.91Å; I835-G847 PolarHBondContact O-N 3.3Å; I835-F849 HydrophobicContact CD1-CD2 3.89Å; I835-F849 HydrophobicContact CD1-CE2 3.55Å; I835-F849 HydrophobicContact CD1-CZ 4.37Å; I835-F849 HydrophobicContact CG1-CD2 3.78Å; I835-F849 HydrophobicContact CG1-CE2 3.53Å |
| 836 | K | 91.7 | Very high | 79.1 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.2 | 164.4 | -171.3 | -173.6 | 174.3 | -172.3 | 0 | 108.6 | S611 Y753 K754 G755 F757 K844 | S611-K836 WeakPolarHBondContact OG-CB 3.23Å; S611-K836 WeakPolarHBondContact OG-CD 3.15Å; Y753-K836 WeakPolarHBondContact CD2-O 3.23Å; K754-K836 WeakPolarHBondContact CA-O 3.23Å; K754-K836 HydrophobicContact CB-CB 3.93Å; K754-K836 HydrophobicContact CB-CD 3.8Å; K754-K836 HydrophobicContact CB-CG 3.8Å; K754-K836 PolarHBondContact N-O 3Å; G755-K836 PolarHBondContact O-N 3.39Å; F757-K836 HydrophobicContact CE2-CB 3.9Å; F757-K836 HydrophobicContact CZ-CB 4.23Å; K836-K844 WeakPolarHBondContact CG-O 3.49Å |
| 837 | Y | 93 | Very high | 81.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.6 | 173.3 | 62.3 | -95.8 | 0 | 0 | 0 | 111.3 | V733 G735 L736 F742 I751 D752 I835 K844 F849 | V733-Y837 HydrophobicContact CB-CE2 4.49Å; V733-Y837 HydrophobicContact CG1-CE2 4.21Å; V733-Y837 HydrophobicContact CG2-CE2 4.29Å; G735-Y837 PolarHBondContact O-OH 2.98Å; L736-Y837 WeakPolarHBondContact CB-OH 3.42Å; L736-Y837 HydrophobicContact CD2-CE2 4.11Å; L736-Y837 PolarHBondContact O-OH 2.7Å; L736-Y837 VanDerWaalsContact O-OH 3.05Å; F742-Y837 HydrophobicContact CD2-CD1 4.41Å; F742-Y837 HydrophobicContact CD2-CE1 4.36Å; F742-Y837 AromaticContact CE2-CD1 3.64Å; F742-Y837 HydrophobicContact CE2-CD1 3.64Å; F742-Y837 HydrophobicContact CE2-CD2 4.26Å; F742-Y837 HydrophobicContact CE2-CE1 4.03Å; F742-Y837 AromaticContact CE2-CG 3.77Å; F742-Y837 HydrophobicContact CE2-CG 3.77Å; I751-Y837 HydrophobicContact CG2-CD2 4.46Å; D752-Y837 CarbonylContact O-C 3.43Å; D752-Y837 VanDerWaalsContact O-CA 3.29Å; D752-Y837 WeakPolarHBondContact O-CA 3.35Å; I835-Y837 HydrophobicContact CD1-CD1 4.11Å; I835-Y837 HydrophobicContact CG1-CD1 4.17Å; Y837-K844 HydrophobicContact CD1-CB 3.96Å; Y837-K844 HydrophobicContact CD1-CG 4.29Å; Y837-K844 HydrophobicContact CD2-CB 3.91Å; Y837-K844 HydrophobicContact CE1-CB 3.66Å; Y837-K844 HydrophobicContact CE1-CG 3.64Å; Y837-K844 HydrophobicContact CE2-CB 3.57Å; Y837-K844 HydrophobicContact CE2-CG 4.26Å; Y837-K844 HydrophobicContact CG-CB 4.08Å; Y837-K844 VanDerWaalsContact CZ-CB 3.44Å; Y837-K844 PolarHBondContact N-O 3.48Å; Y837-K844 PolarHBondContact O-N 3.41Å; Y837-F849 HydrophobicContact CD1-CE2 4.39Å; Y837-F849 HydrophobicContact CD1-CZ 4.48Å; Y837-F849 AromaticContact CE1-CE2 3.79Å; Y837-F849 HydrophobicContact CE1-CE2 3.79Å; Y837-F849 AromaticContact CE1-CZ 3.66Å; Y837-F849 HydrophobicContact CE1-CZ 3.66Å |
| 838 | S | 92.2 | Very high | 83.6 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.4 | 163 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | I751 D752 S842 | I751-S838 WeakPolarHBondContact CA-O 3.43Å; D752-S838 PolarHBondContact N-O 3.28Å; D752-S838 PolarHBondContact O-N 2.84Å; S838-S842 CarbonylContact C-O 3.6Å; S838-S842 VanDerWaalsContact CA-O 3.23Å; S838-S842 WeakPolarHBondContact CA-O 3.43Å |
| 839 | L | 89.8 | Confident | 85.8 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 104.4 | 170.1 | 173.4 | 62.4 | 0 | 0 | 0 | 106.1 | P646 V728 V733 L745 D750 I751 Y841 S842 | P646-L839 HydrophobicContact CB-CD2 4.49Å; V728-L839 HydrophobicContact CG2-CD2 3.82Å; V728-L839 HydrophobicContact CG2-CG 4.36Å; V733-L839 HydrophobicContact CG1-CD2 4.33Å; V733-L839 HydrophobicContact CG2-CB 3.75Å; L745-L839 HydrophobicContact CD1-CD1 4.15Å; D750-L839 HydrophobicContact CB-CD1 4.21Å; D750-L839 WeakPolarHBondContact O-CA 3.17Å; I751-L839 HydrophobicContact CD1-CD1 4.38Å; I751-L839 HydrophobicContact CG1-CB 4.39Å; I751-L839 HydrophobicContact CG1-CD1 3.73Å; L839-Y841 PolarHBondContact O-N 3.36Å; L839-S842 PolarHBondContact N-O 3.27Å; L839-S842 PolarHBondContact O-N 3.35Å; L839-S842 VanDerWaalsContact O-N 3.09Å |
| 840 | G | 86.5 | Confident | 87.3 | Confident | 55 Ų | 55 | 35.6 Ų | 35.6 | 57% | 0.567 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | -134.7 | -160 | 0 | 0 | 0 | 0 | 0 | 111.8 | D750 S842 | D750-G840 PolarHBondContact O-N 3.12Å; G840-S842 PolarHBondContact O-N 2.94Å |
| 841 | Y | 87.2 | Confident | 88.4 | Confident | 236 Ų | 236 | 35 Ų | 35 | 93% | 0.925 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2.8 | 178.4 | -58.3 | -71 | 0 | 0 | 0 | 115.2 | L839 | L839-Y841 PolarHBondContact O-N 3.36Š|
| 842 | S | 90.1 | Very high | 88.8 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.4 | -171.9 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | V728 G731 V733 S838 L839 G840 | V728-S842 WeakPolarHBondContact CG1-OG 3.13Å; G731-S842 VanDerWaalsContact C-OG 3.29Å; G731-S842 VanDerWaalsContact CA-OG 3.3Å; G731-S842 WeakPolarHBondContact CA-OG 3.37Å; G731-S842 CarbonylContact O-C 3.56Å; G731-S842 VanDerWaalsContact O-CA 3.25Å; G731-S842 WeakPolarHBondContact O-CA 3.47Å; V733-S842 WeakPolarHBondContact CG2-O 3.25Å; S838-S842 CarbonylContact C-O 3.6Å; S838-S842 VanDerWaalsContact CA-O 3.23Å; S838-S842 WeakPolarHBondContact CA-O 3.43Å; L839-S842 PolarHBondContact N-O 3.27Å; L839-S842 PolarHBondContact O-N 3.35Å; L839-S842 VanDerWaalsContact O-N 3.09Å; G840-S842 PolarHBondContact O-N 2.94Å |
| 843 | T | 91.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 36.5 Ų | 36.5 | 32% | 0.319 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.6 | -174.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | G731 V733 | G731-T843 PolarHBondContact O-N 2.96Å; V733-T843 PolarHBondContact N-O 3.41Å |
| 844 | K | 91.1 | Very high | 89.7 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 106.6 | 160.3 | -168.6 | 82.6 | 169.8 | -157.8 | 0 | 108.7 | V733 S734 G735 H737 K836 Y837 R846 | V733-K844 HydrophobicContact CB-CB 3.98Å; V733-K844 HydrophobicContact CB-CD 4.01Å; V733-K844 HydrophobicContact CG1-CD 4.24Å; V733-K844 HydrophobicContact CG2-CB 4.32Å; V733-K844 WeakPolarHBondContact O-CD 3.23Å; S734-K844 PolarHBondContact O-NZ 3.17Å; G735-K844 PolarHBondContact O-NZ 3.38Å; H737-K844 PolarHBondContact CE1-NZ 3.11Å; H737-K844 PolarHBondContact NE2-NZ 3.1Å; K836-K844 WeakPolarHBondContact CG-O 3.49Å; Y837-K844 HydrophobicContact CD1-CB 3.96Å; Y837-K844 HydrophobicContact CD1-CG 4.29Å; Y837-K844 HydrophobicContact CD2-CB 3.91Å; Y837-K844 HydrophobicContact CE1-CB 3.66Å; Y837-K844 HydrophobicContact CE1-CG 3.64Å; Y837-K844 HydrophobicContact CE2-CB 3.57Å; Y837-K844 HydrophobicContact CE2-CG 4.26Å; Y837-K844 HydrophobicContact CG-CB 4.08Å; Y837-K844 VanDerWaalsContact CZ-CB 3.44Å; Y837-K844 PolarHBondContact N-O 3.48Å; Y837-K844 PolarHBondContact O-N 3.41Å; K844-R846 VanDerWaalsContact C-N 3.34Å; K844-R846 WeakPolarHBondContact CE-O 3.42Å; K844-R846 PolarHBondContact O-N 3.46Å |
| 845 | P | 88 | Confident | 90 | Very high | 85 Ų | 85 | 35.8 Ų | 35.8 | 55% | 0.552 | 18% | 0.181 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -31.7 | -177.3 | 26.2 | -33.8 | 0 | 0 | 0 | 112.9 | F757 | F757-P845 VanDerWaalsContact CE2-O 3.23Å; F757-P845 WeakPolarHBondContact CE2-O 3.28Å; F757-P845 VanDerWaalsContact CZ-O 3.28Å; F757-P845 WeakPolarHBondContact CZ-O 3.21Å |
| 846 | R | 86.8 | Confident | 90.3 | Very high | 127 Ų | 127 | 35.9 Ų | 35.9 | 48% | 0.479 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 100.1 | 169.9 | -65.5 | -178.1 | 69.7 | 91.3 | -4.1 | 108.6 | F757 V834 K844 | F757-R846 HydrophobicContact CD2-CG 4.18Å; F757-R846 HydrophobicContact CE2-CB 4.5Å; F757-R846 HydrophobicContact CE2-CG 3.74Å; F757-R846 HydrophobicContact CZ-CG 3.99Å; V834-R846 HydrophobicContact CG1-CB 4.38Å; K844-R846 VanDerWaalsContact C-N 3.34Å; K844-R846 WeakPolarHBondContact CE-O 3.42Å; K844-R846 PolarHBondContact O-N 3.46Å |
| 847 | G | 87.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 151.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V834 I835 | V834-G847 CarbonylContact C-O 3.55Å; V834-G847 WeakPolarHBondContact CA-O 3.37Å; V834-G847 WeakPolarHBondContact CG1-O 3.46Å; I835-G847 PolarHBondContact N-O 2.91Å; I835-G847 PolarHBondContact O-N 3.3Å |
| 848 | S | 88.4 | Confident | 90.4 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 134 | -177.3 | -50.6 | 0 | 0 | 0 | 0 | 109.8 | H737 A833 P901 | H737-S848 PolarHBondContact ND1-O 3.45Å; A833-S848 CarbonylContact O-C 3.45Å; A833-S848 VanDerWaalsContact O-CA 3.3Å; A833-S848 WeakPolarHBondContact O-CA 3.16Å; S848-P901 WeakPolarHBondContact CB-O 3.07Å; S848-P901 WeakPolarHBondContact O-CD 3.43Å; S848-P901 PolarHBondContact OG-O 3.03Å |
| 849 | F | 90.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.4 | -169.2 | -63.2 | -94.7 | 0 | 0 | 0 | 109.5 | L736 H737 W739 F742 A832 A833 I835 Y837 L851 | L736-F849 HydrophobicContact CG-CE1 4.29Å; L736-F849 HydrophobicContact CG-CZ 4.41Å; H737-F849 VanDerWaalsContact C-CD1 3.42Å; H737-F849 WeakPolarHBondContact O-CD1 3.47Å; W739-F849 HydrophobicContact CB-CD1 4.39Å; F742-F849 HydrophobicContact CB-CE1 3.87Å; F742-F849 HydrophobicContact CB-CZ 4.41Å; F742-F849 AromaticContact CD2-CE1 3.88Å; F742-F849 HydrophobicContact CD2-CE1 3.88Å; F742-F849 HydrophobicContact CD2-CE2 4.28Å; F742-F849 AromaticContact CD2-CZ 3.52Å; F742-F849 HydrophobicContact CD2-CZ 3.52Å; F742-F849 HydrophobicContact CE2-CZ 4.14Å; F742-F849 HydrophobicContact CG-CE1 4.13Å; F742-F849 HydrophobicContact CG-CZ 4.2Å; A832-F849 CarbonylContact C-O 3.44Å; A832-F849 WeakPolarHBondContact CA-O 3.25Å; A832-F849 WeakPolarHBondContact CB-O 3.37Å; A833-F849 PolarHBondContact N-O 3.04Å; A833-F849 PolarHBondContact O-N 3.16Å; I835-F849 HydrophobicContact CD1-CD2 3.89Å; I835-F849 HydrophobicContact CD1-CE2 3.55Å; I835-F849 HydrophobicContact CD1-CZ 4.37Å; I835-F849 HydrophobicContact CG1-CD2 3.78Å; I835-F849 HydrophobicContact CG1-CE2 3.53Å; Y837-F849 HydrophobicContact CD1-CE2 4.39Å; Y837-F849 HydrophobicContact CD1-CZ 4.48Å; Y837-F849 AromaticContact CE1-CE2 3.79Å; Y837-F849 HydrophobicContact CE1-CE2 3.79Å; Y837-F849 AromaticContact CE1-CZ 3.66Å; Y837-F849 HydrophobicContact CE1-CZ 3.66Å; F849-L851 HydrophobicContact CB-CD2 4.07Å |
| 850 | L | 90.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.2 | 153.6 | -58.1 | -179.3 | 0 | 0 | 0 | 106.7 | P831 A832 T853 L861 Y862 L878 I883 L885 P901 | P831-L850 CarbonylContact O-C 3.54Å; P831-L850 WeakPolarHBondContact O-CA 3.08Å; A832-L850 HydrophobicContact CB-CD2 4.27Å; L850-T853 HydrophobicContact CB-CG2 3.93Å; L850-T853 HydrophobicContact CD1-CG2 4.44Å; L850-L861 HydrophobicContact CD1-CD2 3.55Å; L850-Y862 HydrophobicContact CD1-CE2 4.49Å; L850-L878 HydrophobicContact CD2-CD2 4.48Å; L850-I883 HydrophobicContact CD2-CG2 3.96Å; L850-L885 HydrophobicContact CD2-CD2 4.47Å; L850-P901 HydrophobicContact CD2-CB 4.05Å; L850-P901 HydrophobicContact CD2-CG 4.1Å; L850-P901 HydrophobicContact CG-CG 4.32Å |
| 851 | L | 90 | Very high | 90.7 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | trans | -101.2 | 149.1 | 179.9 | -59.2 | -170.4 | 0 | 0 | 0 | 110.1 | F605 Y607 F620 W739 P831 A833 F849 T853 | F605-L851 HydrophobicContact CD1-CD1 4.28Å; F605-L851 HydrophobicContact CD1-CD2 4.32Å; F605-L851 HydrophobicContact CD2-CD1 4Å; F605-L851 HydrophobicContact CE1-CD1 4.41Å; F605-L851 HydrophobicContact CE1-CD2 3.91Å; F605-L851 HydrophobicContact CE2-CB 4.2Å; F605-L851 HydrophobicContact CE2-CD1 4.14Å; F605-L851 HydrophobicContact CG-CD1 4.08Å; F605-L851 HydrophobicContact CZ-CB 4.16Å; F605-L851 HydrophobicContact CZ-CD1 4.35Å; F605-L851 HydrophobicContact CZ-CD2 4.13Å; F605-L851 HydrophobicContact CZ-CG 4.45Å; Y607-L851 WeakPolarHBondContact OH-CD1 3.24Å; F620-L851 HydrophobicContact CE1-CD2 4.16Å; F620-L851 HydrophobicContact CZ-CD1 4.29Å; F620-L851 HydrophobicContact CZ-CD2 4.37Å; W739-L851 HydrophobicContact CB-CD2 4.12Å; P831-L851 PolarHBondContact O-N 3.33Å; A833-L851 HydrophobicContact CB-CD1 4.01Å; A833-L851 HydrophobicContact CB-CD2 4.27Å; A833-L851 HydrophobicContact CB-CG 4.23Å; F849-L851 HydrophobicContact CB-CD2 4.07Å; L851-T853 PolarHBondContact O-N 3.24Å | ||
| 852 | R | 89.5 | Confident | 90.7 | Very high | 40 Ų | 40 | 17.2 Ų | 17.2 | 15% | 0.151 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 64.4 | -11.6 | 177 | -55.3 | -176.6 | 177 | -63.8 | -4.4 | 116.9 | A598 G599 A603 F605 N829 | A598-R852 HydrophobicContact CB-CB 4.15Å; A598-R852 HydrophobicContact CB-CG 4.42Å; A598-R852 PolarHBondContact N-O 2.79Å; A598-R852 WeakPolarHBondContact O-CB 3.3Å; A598-R852 WeakPolarHBondContact O-CD 3.33Å; G599-R852 PolarHBondContact O-NH1 3.07Å; A603-R852 VanDerWaalsContact O-CZ 3.31Å; A603-R852 PolarHBondContact O-NH1 3.04Å; A603-R852 PolarHBondContact O-NH2 3.02Å; F605-R852 HydrophobicContact CE2-CG 4.06Å; N829-R852 VanDerWaalsContact OD1-CZ 3.29Å; N829-R852 PolarHBondContact OD1-NE 3.27Å; N829-R852 PolarHBondContact OD1-NH2 3.21Å |
| 853 | T | 91.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 7% | 0.067 | 8% | 0.083 | C | C | . | . | trans | -64.4 | 160.5 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | W739 L850 L851 F857 D858 L878 | W739-T853 PolarHBondContact NE1-O 2.82Å; L850-T853 HydrophobicContact CB-CG2 3.93Å; L850-T853 HydrophobicContact CD1-CG2 4.44Å; L851-T853 PolarHBondContact O-N 3.24Å; T853-F857 HydrophobicContact CG2-CD1 3.6Å; T853-F857 HydrophobicContact CG2-CE1 3.76Å; T853-D858 VanDerWaalsContact CB-OD1 3.29Å; T853-D858 WeakPolarHBondContact CB-OD1 3.23Å; T853-D858 PolarHBondContact OG1-OD1 3.09Å; T853-L878 HydrophobicContact CG2-CD2 4.46Å | ||
| 854 | T | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -99.3 | 169.4 | 175.7 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | D594 N596 A597 I634 E856 F857 D858 | D594-T854 VanDerWaalsContact CG-OG1 3.22Å; D594-T854 WeakPolarHBondContact OD1-CG2 3.46Å; D594-T854 PolarHBondContact OD1-OG1 3.02Å; D594-T854 WeakPolarHBondContact OD2-CB 3.2Å; D594-T854 WeakPolarHBondContact OD2-CG2 2.92Å; D594-T854 PolarHBondContact OD2-N 2.57Å; D594-T854 PolarHBondContact OD2-OG1 2.74Å; N596-T854 HydrophobicContact CB-CG2 3.7Å; N596-T854 WeakPolarHBondContact O-CG2 3.09Å; A597-T854 HydrophobicContact CB-CG2 4.49Å; A597-T854 VanDerWaalsContact N-CG2 3.33Å; I634-T854 HydrophobicContact CD1-CG2 4.5Å; T854-E856 VanDerWaalsContact C-N 3.33Å; T854-E856 WeakPolarHBondContact CB-OE2 3.43Å; T854-E856 PolarHBondContact O-N 3.17Å; T854-E856 WeakPolarHBondContact OG1-CG 3.14Å; T854-F857 PolarHBondContact O-N 3.47Å; T854-F857 WeakPolarHBondContact OG1-CB 3.45Å; T854-F857 PolarHBondContact OG1-N 3.2Å; T854-F857 VanDerWaalsContact OG1-N 3.12Å; T854-D858 WeakPolarHBondContact O-CB 3.21Å; T854-D858 PolarHBondContact O-N 2.88Å | ||
| 855 | A | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.6 | -45.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L637 F665 F724 L859 | L637-A855 HydrophobicContact CB-CB 4.45Å; L637-A855 HydrophobicContact CD1-CB 4.38Å; L637-A855 HydrophobicContact CD2-CB 4.06Å; F665-A855 HydrophobicContact CE2-CB 3.92Å; F665-A855 HydrophobicContact CZ-CB 3.97Å; F724-A855 HydrophobicContact CE1-CB 4.41Å; A855-L859 WeakPolarHBondContact O-CB 3.28Å; A855-L859 WeakPolarHBondContact O-CD1 3.34Å; A855-L859 WeakPolarHBondContact O-CG 3.44Å; A855-L859 PolarHBondContact O-N 3.4Å |
| 856 | E | 94.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.9 | -33.7 | 179 | 54.8 | -90.5 | -133 | 0 | 0 | 113.4 | N596 T633 V669 T672 V674 M675 T854 A860 | N596-E856 PolarHBondContact ND2-OE1 3.44Å; T633-E856 VanDerWaalsContact CB-OE2 3.32Å; T633-E856 WeakPolarHBondContact CB-OE2 3.31Å; T633-E856 WeakPolarHBondContact CG2-OE1 3.3Å; T633-E856 PolarHBondContact OG1-OE1 3Å; T633-E856 PolarHBondContact OG1-OE2 3.41Å; V669-E856 HydrophobicContact CG1-CB 4.09Å; T672-E856 HydrophobicContact CG2-CB 4.29Å; T672-E856 HydrophobicContact CG2-CG 3.9Å; T672-E856 WeakPolarHBondContact CG2-OE1 3.38Å; V674-E856 HydrophobicContact CB-CG 4.37Å; M675-E856 HydrophobicContact CG-CB 3.89Å; T854-E856 VanDerWaalsContact C-N 3.33Å; T854-E856 WeakPolarHBondContact CB-OE2 3.43Å; T854-E856 PolarHBondContact O-N 3.17Å; T854-E856 WeakPolarHBondContact OG1-CG 3.14Å; E856-A860 VanDerWaalsContact O-CB 3.23Å; E856-A860 WeakPolarHBondContact O-CB 3.44Å; E856-A860 PolarHBondContact O-N 3.38Å |
| 857 | F | 94.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 5 Ų | 5 | 2% | 0.022 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -71.7 | -49.7 | 173.4 | -173.9 | -88.9 | 0 | 0 | 0 | 112.2 | I587 M590 E591 D594 V674 T853 T854 L859 A860 L861 L878 | I587-F857 HydrophobicContact CG2-CZ 4.21Å; M590-F857 HydrophobicContact CB-CD2 4.01Å; M590-F857 HydrophobicContact CB-CE2 3.73Å; E591-F857 HydrophobicContact CB-CE2 4.39Å; D594-F857 HydrophobicContact CB-CD2 4.29Å; D594-F857 WeakPolarHBondContact OD2-CB 3.49Å; V674-F857 HydrophobicContact CG1-CB 4.4Å; V674-F857 HydrophobicContact CG1-CD2 4.44Å; T853-F857 HydrophobicContact CG2-CD1 3.6Å; T853-F857 HydrophobicContact CG2-CE1 3.76Å; T854-F857 PolarHBondContact O-N 3.47Å; T854-F857 WeakPolarHBondContact OG1-CB 3.45Å; T854-F857 PolarHBondContact OG1-N 3.2Å; T854-F857 VanDerWaalsContact OG1-N 3.12Å; F857-L859 PolarHBondContact O-N 2.83Å; F857-A860 PolarHBondContact O-N 2.95Å; F857-A860 VanDerWaalsContact O-N 3.16Å; F857-L861 HydrophobicContact CD1-CD2 4.27Å; F857-L861 HydrophobicContact CE1-CD2 3.71Å; F857-L861 HydrophobicContact CZ-CD2 4.47Å; F857-L861 WeakPolarHBondContact O-CB 3.49Å; F857-L861 PolarHBondContact O-N 3.09Å; F857-L878 HydrophobicContact CE1-CD1 4.23Å; F857-L878 HydrophobicContact CE1-CD2 4.32Å; F857-L878 HydrophobicContact CZ-CD1 3.76Å |
| 858 | D | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -56.7 | -51.3 | 175 | -76.9 | 4.4 | 0 | 0 | 0 | 110.2 | Y723 F724 N738 T853 T854 A860 L861 Y862 | Y723-D858 HydrophobicContact CE1-CB 3.81Å; Y723-D858 WeakPolarHBondContact CE1-OD2 3.12Å; Y723-D858 VanDerWaalsContact OH-CG 3.3Å; Y723-D858 PolarHBondContact OH-OD2 2.83Å; F724-D858 HydrophobicContact CE1-CB 4.22Å; F724-D858 HydrophobicContact CZ-CB 3.93Å; N738-D858 PolarHBondContact ND2-OD2 3.03Å; T853-D858 VanDerWaalsContact CB-OD1 3.29Å; T853-D858 WeakPolarHBondContact CB-OD1 3.23Å; T853-D858 PolarHBondContact OG1-OD1 3.09Å; T854-D858 WeakPolarHBondContact O-CB 3.21Å; T854-D858 PolarHBondContact O-N 2.88Å; D858-A860 VanDerWaalsContact C-N 3.29Å; D858-A860 PolarHBondContact O-N 2.66Å; D858-L861 PolarHBondContact O-N 2.91Å; D858-Y862 HydrophobicContact CB-CD2 4.3Å; D858-Y862 HydrophobicContact CB-CE2 4.24Å; D858-Y862 WeakPolarHBondContact O-CD2 3.35Å; D858-Y862 PolarHBondContact O-N 2.99Å |
| 859 | L | 92 | Very high | 86.9 | Confident | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.01 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -54.2 | -44.1 | 176.1 | -77.8 | 171.9 | 0 | 0 | 0 | 112.1 | F665 V669 M675 W704 F724 A855 F857 T863 | F665-L859 HydrophobicContact CE1-CD1 3.84Å; F665-L859 HydrophobicContact CZ-CD1 3.78Å; V669-L859 HydrophobicContact CG1-CD1 3.89Å; M675-L859 HydrophobicContact CE-CB 4.38Å; W704-L859 HydrophobicContact CD2-CD2 3.43Å; W704-L859 VanDerWaalsContact CD2-CD2 3.43Å; W704-L859 VanDerWaalsContact CE2-CD2 3.41Å; W704-L859 HydrophobicContact CE3-CD2 3.89Å; W704-L859 HydrophobicContact CG-CD2 3.76Å; W704-L859 HydrophobicContact CH2-CD2 4.23Å; W704-L859 HydrophobicContact CZ2-CD2 3.84Å; W704-L859 HydrophobicContact CZ3-CD2 4.26Å; F724-L859 HydrophobicContact CE2-CD2 3.69Å; F724-L859 HydrophobicContact CE2-CG 4Å; F724-L859 HydrophobicContact CZ-CD2 4.13Å; F724-L859 HydrophobicContact CZ-CG 3.9Å; A855-L859 WeakPolarHBondContact O-CB 3.28Å; A855-L859 WeakPolarHBondContact O-CD1 3.34Å; A855-L859 WeakPolarHBondContact O-CG 3.44Å; A855-L859 PolarHBondContact O-N 3.4Å; F857-L859 PolarHBondContact O-N 2.83Å; L859-T863 WeakPolarHBondContact O-CB 3.45Å; L859-T863 PolarHBondContact O-N 3.09Å; L859-T863 PolarHBondContact O-OG1 2.89Å |
| 860 | A | 92.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.5 | -48.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M590 V674 M675 L678 E856 F857 D858 T863 I864 | M590-A860 HydrophobicContact CE-CB 3.93Å; M590-A860 HydrophobicContact SD-CB 3.81Å; V674-A860 HydrophobicContact CG1-CB 3.87Å; M675-A860 HydrophobicContact SD-CB 4.03Å; L678-A860 HydrophobicContact CB-CB 3.96Å; L678-A860 HydrophobicContact CD1-CB 4.08Å; L678-A860 HydrophobicContact CD2-CB 3.91Å; L678-A860 HydrophobicContact CG-CB 4.19Å; E856-A860 VanDerWaalsContact O-CB 3.23Å; E856-A860 WeakPolarHBondContact O-CB 3.44Å; E856-A860 PolarHBondContact O-N 3.38Å; F857-A860 PolarHBondContact O-N 2.95Å; F857-A860 VanDerWaalsContact O-N 3.16Å; D858-A860 VanDerWaalsContact C-N 3.29Å; D858-A860 PolarHBondContact O-N 2.66Å; A860-T863 PolarHBondContact O-N 2.78Å; A860-I864 WeakPolarHBondContact O-CB 3.42Å; A860-I864 WeakPolarHBondContact O-CD1 3.14Å; A860-I864 VanDerWaalsContact O-CG1 3.3Å; A860-I864 WeakPolarHBondContact O-CG1 3.47Å; A860-I864 PolarHBondContact O-N 2.75Å |
| 861 | L | 89.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -53.3 | -177.8 | 176.5 | 54.5 | 0 | 0 | 0 | 112 | I587 L850 F857 D858 T863 I864 C865 F876 L885 | I587-L861 HydrophobicContact CD1-CD1 3.39Å; I587-L861 HydrophobicContact CG1-CD1 3.93Å; L850-L861 HydrophobicContact CD1-CD2 3.55Å; F857-L861 HydrophobicContact CD1-CD2 4.27Å; F857-L861 HydrophobicContact CE1-CD2 3.71Å; F857-L861 HydrophobicContact CZ-CD2 4.47Å; F857-L861 WeakPolarHBondContact O-CB 3.49Å; F857-L861 PolarHBondContact O-N 3.09Å; D858-L861 PolarHBondContact O-N 2.91Å; L861-T863 PolarHBondContact O-N 3.49Å; L861-I864 WeakPolarHBondContact O-CB 3.32Å; L861-I864 PolarHBondContact O-N 2.93Å; L861-C865 PolarHBondContact O-N 3.35Å; L861-C865 PolarHBondContact O-SG 3.33Å; L861-F876 HydrophobicContact CD1-CE1 3.91Å; L861-F876 HydrophobicContact CD1-CE2 4.33Å; L861-F876 HydrophobicContact CD1-CZ 3.74Å; L861-F876 HydrophobicContact CD2-CE2 4.35Å; L861-F876 HydrophobicContact CD2-CZ 3.91Å; L861-F876 HydrophobicContact CG-CZ 4.31Å; L861-L885 HydrophobicContact CD1-CD1 3.83Å; L861-L885 HydrophobicContact CD2-CD1 3.89Å; L861-L885 HydrophobicContact CG-CD1 3.53Å |
| 862 | Y | 86.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.7 | -34.3 | 176.7 | -69.3 | -70 | 0 | 0 | 0 | 112.7 | W704 Y723 L850 D858 C865 L866 L885 V887 A899 P901 | W704-Y862 HydrophobicContact CH2-CD2 4.24Å; W704-Y862 HydrophobicContact CH2-CG 4.18Å; Y723-Y862 HydrophobicContact CD2-CD2 4.42Å; Y723-Y862 HydrophobicContact CD2-CE2 4.03Å; Y723-Y862 HydrophobicContact CE1-CD2 4.38Å; Y723-Y862 AromaticContact CE1-CE2 3.95Å; Y723-Y862 HydrophobicContact CE1-CE2 3.95Å; Y723-Y862 HydrophobicContact CE2-CD2 4.09Å; Y723-Y862 HydrophobicContact CE2-CE1 4.27Å; Y723-Y862 AromaticContact CE2-CE2 3.29Å; Y723-Y862 HydrophobicContact CE2-CE2 3.29Å; Y723-Y862 AromaticContact CE2-CZ 3.38Å; Y723-Y862 WeakPolarHBondContact CE2-OH 3.47Å; Y723-Y862 AromaticContact CZ-CE2 3.25Å; Y723-Y862 AromaticContact CZ-CZ 3.78Å; Y723-Y862 WeakPolarHBondContact OH-CE2 3.15Å; Y723-Y862 PolarHBondContact OH-OH 3.1Å; L850-Y862 HydrophobicContact CD1-CE2 4.49Å; D858-Y862 HydrophobicContact CB-CD2 4.3Å; D858-Y862 HydrophobicContact CB-CE2 4.24Å; D858-Y862 WeakPolarHBondContact O-CD2 3.35Å; D858-Y862 PolarHBondContact O-N 2.99Å; Y862-C865 PolarHBondContact O-N 3.49Å; Y862-L866 WeakPolarHBondContact O-CB 3.44Å; Y862-L866 PolarHBondContact O-N 2.83Å; Y862-L885 HydrophobicContact CD1-CD1 4Å; Y862-L885 HydrophobicContact CE1-CB 4.16Å; Y862-L885 HydrophobicContact CE1-CD1 3.7Å; Y862-L885 HydrophobicContact CE1-CD2 3.81Å; Y862-L885 HydrophobicContact CE1-CG 4.09Å; Y862-V887 HydrophobicContact CD1-CG2 4.31Å; Y862-A899 HydrophobicContact CD1-CB 3.74Å; Y862-A899 HydrophobicContact CE1-CB 4.11Å; Y862-A899 HydrophobicContact CG-CB 4.37Å; Y862-P901 WeakPolarHBondContact OH-CD 3.3Å |
| 863 | T | 88.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 172.7 | -62.1 | 0 | 0 | 0 | 0 | 110 | L678 L682 L700 L703 W704 L859 A860 L861 C865 L866 V867 | L678-T863 HydrophobicContact CD1-CG2 4.36Å; L678-T863 HydrophobicContact CD2-CG2 4.36Å; L682-T863 HydrophobicContact CD1-CG2 3.83Å; L682-T863 HydrophobicContact CD2-CG2 4.16Å; L700-T863 HydrophobicContact CD2-CG2 4.45Å; L703-T863 HydrophobicContact CD1-CG2 3.97Å; W704-T863 PolarHBondContact NE1-OG1 2.65Å; L859-T863 WeakPolarHBondContact O-CB 3.45Å; L859-T863 PolarHBondContact O-N 3.09Å; L859-T863 PolarHBondContact O-OG1 2.89Å; A860-T863 PolarHBondContact O-N 2.78Å; L861-T863 PolarHBondContact O-N 3.49Å; T863-C865 VanDerWaalsContact C-N 3.31Å; T863-C865 PolarHBondContact O-N 2.84Å; T863-L866 PolarHBondContact O-N 2.53Å; T863-V867 HydrophobicContact CG2-CG1 4.15Å; T863-V867 WeakPolarHBondContact O-CB 3.43Å; T863-V867 VanDerWaalsContact O-CG1 3.32Å; T863-V867 WeakPolarHBondContact O-CG1 3.13Å; T863-V867 WeakPolarHBondContact O-CG2 3.5Å; T863-V867 PolarHBondContact O-N 3.28Å |
| 864 | I | 85.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.9 | -44.1 | 175.7 | -76.6 | 159.9 | 0 | 0 | 0 | 111.4 | I578 L583 I586 M590 L678 V681 A860 L861 G868 | I578-I864 HydrophobicContact CD1-CG2 3.64Å; L583-I864 HydrophobicContact CD1-CG2 3.55Å; I586-I864 HydrophobicContact CG2-CD1 3.55Å; M590-I864 HydrophobicContact CE-CD1 3.54Å; M590-I864 HydrophobicContact SD-CD1 3.7Å; L678-I864 HydrophobicContact CD1-CD1 3.77Å; L678-I864 HydrophobicContact CD1-CG1 3.55Å; V681-I864 HydrophobicContact CG1-CD1 4.35Å; V681-I864 HydrophobicContact CG1-CG1 4.09Å; A860-I864 WeakPolarHBondContact O-CB 3.42Å; A860-I864 WeakPolarHBondContact O-CD1 3.14Å; A860-I864 VanDerWaalsContact O-CG1 3.3Å; A860-I864 WeakPolarHBondContact O-CG1 3.47Å; A860-I864 PolarHBondContact O-N 2.75Å; L861-I864 WeakPolarHBondContact O-CB 3.32Å; L861-I864 PolarHBondContact O-N 2.93Å; I864-G868 WeakPolarHBondContact O-CA 3.37Å; I864-G868 PolarHBondContact O-N 2.96Å |
| 865 | C | 81.7 | Confident | 79.8 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.3 | -38.4 | -179 | -66.9 | 0 | 0 | 0 | 0 | 113.6 | L861 Y862 T863 C874 V887 | L861-C865 PolarHBondContact O-N 3.35Å; L861-C865 PolarHBondContact O-SG 3.33Å; Y862-C865 PolarHBondContact O-N 3.49Å; T863-C865 VanDerWaalsContact C-N 3.31Å; T863-C865 PolarHBondContact O-N 2.84Å; C865-C874 WeakPolarHBondContact CA-SG 3.28Å; C865-C874 HydrophobicContact CB-CB 3.98Å; C865-C874 WeakPolarHBondContact CB-SG 3.37Å; C865-C874 WeakPolarHBondContact SG-CB 3.3Å; C865-C874 CovalentContact SG-SG 2.02Å; C865-C874 PolarHBondContact SG-SG 3.08Å; C865-V887 HydrophobicContact CB-CG2 3.83Å |
| 866 | L | 77.8 | Confident | 79.4 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -49.7 | 172.9 | 180 | 73.5 | 0 | 0 | 0 | 112 | L703 Y862 T863 V887 R889 V896 | L703-L866 HydrophobicContact CB-CD2 4.44Å; L703-L866 HydrophobicContact CD1-CD2 3.85Å; L703-L866 HydrophobicContact CD2-CD2 3.58Å; L703-L866 HydrophobicContact CG-CD2 4.14Å; Y862-L866 WeakPolarHBondContact O-CB 3.44Å; Y862-L866 PolarHBondContact O-N 2.83Å; T863-L866 PolarHBondContact O-N 2.53Å; L866-V887 HydrophobicContact CB-CG1 4.01Å; L866-V887 HydrophobicContact CD1-CG1 3.74Å; L866-R889 HydrophobicContact CD1-CG 3.61Å; L866-R889 PolarHBondContact O-NH1 3.33Å; L866-R889 PolarHBondContact O-NH2 3.34Å; L866-V896 HydrophobicContact CB-CG2 4.27Å; L866-V896 HydrophobicContact CD1-CG2 3.83Å; L866-V896 HydrophobicContact CD2-CG2 3.42Å; L866-V896 VanDerWaalsContact CD2-CG2 3.42Å; L866-V896 HydrophobicContact CG-CG2 4.01Å |
| 867 | V | 76 | Confident | 78.8 | Confident | 23 Ų | 23 | 28.1 Ų | 28.1 | 14% | 0.139 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -89 | -14.8 | -168.4 | -57.3 | 0 | 0 | 0 | 0 | 113.9 | L682 I687 L703 T863 | L682-V867 HydrophobicContact CD2-CG2 3.45Å; L682-V867 VanDerWaalsContact CD2-CG2 3.45Å; I687-V867 HydrophobicContact CD1-CB 3.65Å; I687-V867 HydrophobicContact CD1-CG2 3.49Å; I687-V867 VanDerWaalsContact CD1-CG2 3.49Å; I687-V867 HydrophobicContact CG1-CB 3.97Å; I687-V867 HydrophobicContact CG1-CG2 4.35Å; I687-V867 HydrophobicContact CG2-CB 4.36Å; I687-V867 HydrophobicContact CG2-CG1 4.13Å; L703-V867 HydrophobicContact CD1-CG1 3.95Å; T863-V867 HydrophobicContact CG2-CG1 4.15Å; T863-V867 WeakPolarHBondContact O-CB 3.43Å; T863-V867 VanDerWaalsContact O-CG1 3.32Å; T863-V867 WeakPolarHBondContact O-CG1 3.13Å; T863-V867 WeakPolarHBondContact O-CG2 3.5Å; T863-V867 PolarHBondContact O-N 3.28Å |
| 868 | G | 67.4 | Low | 78.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -113.4 | -14.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A107 I578 I864 | A107-G868 CarbonylContact C-O 3.4Å; A107-G868 CarbonylContact O-C 3.56Å; A107-G868 WeakPolarHBondContact O-CA 3.37Å; I578-G868 VanDerWaalsContact CB-O 3.24Å; I578-G868 WeakPolarHBondContact CB-O 3.25Å; I578-G868 WeakPolarHBondContact CG1-O 3.46Å; I578-G868 PolarHBondContact N-O 3.38Å; I864-G868 WeakPolarHBondContact O-CA 3.37Å; I864-G868 PolarHBondContact O-N 2.96Å |
| 869 | R | 67.1 | Low | 77.2 | Confident | 32 Ų | 32 | 30.3 Ų | 30.3 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -127.3 | 165.9 | 174.8 | -62 | 178.8 | 79.6 | 113.1 | -9.6 | 110.4 | I578 D580 G873 C874 R889 | I578-R869 HydrophobicContact CB-CG 4.19Å; I578-R869 PolarHBondContact O-NH1 3.47Å; D580-R869 IonicContact OD1-CZ 3.89Å; D580-R869 IonicContact OD1-NH1 2.81Å; D580-R869 PolarHBondContact OD1-NH1 2.61Å; D580-R869 IonicContact OD1-NH2 2.65Å; D580-R869 PolarHBondContact OD1-NH2 2.74Å; R869-G873 PolarHBondContact NE-O 3.3Å; R869-G873 PolarHBondContact NH2-O 3.07Å; R869-C874 WeakPolarHBondContact CD-SG 3.18Å; R869-R889 PolarHBondContact O-NH2 2.94Å |
| 870 | S | 52 | Low | 76.1 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -117.4 | 107.6 | 180 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | N577 E872 | N577-S870 PolarHBondContact ND2-OG 2.75Å; N577-S870 PolarHBondContact OD1-N 3.15Å; S870-E872 PolarHBondContact O-N 3.24Å |
| 871 | A | 53.9 | Low | 75.1 | Confident | 93 Ų | 93 | 32 Ų | 32 | 77% | 0.769 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 59.8 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 872 | E | 59.7 | Low | 74.5 | Confident | 155 Ų | 155 | 33.2 Ų | 33.2 | 72% | 0.724 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -67.1 | 135.1 | 169.6 | -66.8 | 169.3 | -152.9 | 0 | 0 | 110.6 | S870 | S870-E872 PolarHBondContact O-N 3.24Š|
| 873 | G | 67.3 | Low | 74.3 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 167.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R869 L885 | R869-G873 PolarHBondContact NE-O 3.3Å; R869-G873 PolarHBondContact NH2-O 3.07Å; G873-L885 CarbonylContact C-O 3.52Å; G873-L885 WeakPolarHBondContact CA-O 3.25Å |
| 874 | C | 80.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 144.5 | 168.4 | -88.6 | 0 | 0 | 0 | 0 | 110.9 | L583 C865 R869 F876 K884 L885 | L583-C874 HydrophobicContact CD2-CB 3.6Å; L583-C874 WeakPolarHBondContact CD2-SG 3.5Å; C865-C874 WeakPolarHBondContact CA-SG 3.28Å; C865-C874 HydrophobicContact CB-CB 3.98Å; C865-C874 WeakPolarHBondContact CB-SG 3.37Å; C865-C874 WeakPolarHBondContact SG-CB 3.3Å; C865-C874 CovalentContact SG-SG 2.02Å; C865-C874 PolarHBondContact SG-SG 3.08Å; R869-C874 WeakPolarHBondContact CD-SG 3.18Å; C874-F876 HydrophobicContact CB-CD1 4.12Å; C874-F876 HydrophobicContact CB-CE1 4.01Å; C874-K884 CarbonylContact O-C 3.55Å; C874-K884 WeakPolarHBondContact O-CA 3.47Å; C874-L885 HydrophobicContact CB-CB 4.14Å; C874-L885 PolarHBondContact N-O 3.5Å; C874-L885 PolarHBondContact O-N 3.46Å |
| 875 | R | 82.2 | Confident | 74 | Confident | 107 Ų | 107 | 37 Ų | 37 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.5 | 167.3 | -174.9 | 179.7 | -176.6 | -110 | 1.5 | 109.3 | I882 I883 | R875-I882 HydrophobicContact CG-CG2 3.72Å; R875-I883 WeakPolarHBondContact CA-O 3.5Å |
| 876 | F | 84.3 | Confident | 73.8 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 163.4 | -174.9 | 53.5 | -87.4 | 0 | 0 | 0 | 109.8 | L583 I587 L861 C874 L878 I882 I883 L885 | L583-F876 HydrophobicContact CD2-CB 4.24Å; L583-F876 HydrophobicContact CD2-CD1 3.74Å; L583-F876 HydrophobicContact CD2-CG 4.42Å; L583-F876 HydrophobicContact CG-CB 4.21Å; L583-F876 HydrophobicContact CG-CD1 4.22Å; I587-F876 HydrophobicContact CD1-CB 3.75Å; I587-F876 HydrophobicContact CD1-CD1 3.56Å; I587-F876 HydrophobicContact CD1-CD2 3.41Å; I587-F876 VanDerWaalsContact CD1-CD2 3.41Å; I587-F876 HydrophobicContact CD1-CE1 3.94Å; I587-F876 HydrophobicContact CD1-CE2 3.81Å; I587-F876 HydrophobicContact CD1-CG 3.28Å; I587-F876 HydrophobicContact CD1-CZ 4.07Å; I587-F876 HydrophobicContact CG2-CD2 4.12Å; I587-F876 HydrophobicContact CG2-CE2 4.49Å; L861-F876 HydrophobicContact CD1-CE1 3.91Å; L861-F876 HydrophobicContact CD1-CE2 4.33Å; L861-F876 HydrophobicContact CD1-CZ 3.74Å; L861-F876 HydrophobicContact CD2-CE2 4.35Å; L861-F876 HydrophobicContact CD2-CZ 3.91Å; L861-F876 HydrophobicContact CG-CZ 4.31Å; C874-F876 HydrophobicContact CB-CD1 4.12Å; C874-F876 HydrophobicContact CB-CE1 4.01Å; F876-L878 HydrophobicContact CD2-CB 4.13Å; F876-L878 HydrophobicContact CE2-CB 3.97Å; F876-L878 HydrophobicContact CE2-CD2 4.43Å; F876-I882 CarbonylContact O-C 3.58Å; F876-I882 WeakPolarHBondContact O-CA 3.33Å; F876-I883 HydrophobicContact CD2-CB 4.02Å; F876-I883 HydrophobicContact CD2-CG1 4.34Å; F876-I883 HydrophobicContact CE1-CB 4.29Å; F876-I883 HydrophobicContact CE1-CG2 4.21Å; F876-I883 HydrophobicContact CE2-CB 3.51Å; F876-I883 HydrophobicContact CE2-CG1 3.82Å; F876-I883 HydrophobicContact CE2-CG2 3.86Å; F876-I883 HydrophobicContact CZ-CB 3.65Å; F876-I883 HydrophobicContact CZ-CG1 4.36Å; F876-I883 HydrophobicContact CZ-CG2 3.51Å; F876-I883 PolarHBondContact N-O 3.29Å; F876-I883 VanDerWaalsContact N-O 3.08Å; F876-I883 PolarHBondContact O-N 3.23Å; F876-L885 HydrophobicContact CE1-CD1 3.67Å; F876-L885 HydrophobicContact CE1-CG 3.67Å; F876-L885 HydrophobicContact CZ-CD1 3.73Å; F876-L885 HydrophobicContact CZ-CD2 4.33Å; F876-L885 HydrophobicContact CZ-CG 3.8Å |
| 877 | M | 82.3 | Confident | 73.7 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.7 | 166.9 | -166.8 | -170.8 | -61.7 | 0 | 0 | 110 | Q584 C881 | Q584-M877 PolarHBondContact NE2-O 3.36Å; Q584-M877 PolarHBondContact OE1-O 3.19Å; M877-C881 WeakPolarHBondContact CA-O 3.49Å |
| 878 | L | 82.6 | Confident | 73.5 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135.1 | 171 | 179.6 | 67.8 | 0 | 0 | 0 | 106.3 | I587 E591 P831 L850 T853 F857 F876 G880 C881 I883 | I587-L878 HydrophobicContact CG2-CD1 4.12Å; E591-L878 HydrophobicContact CG-CD1 4.46Å; P831-L878 HydrophobicContact CB-CD2 4.14Å; P831-L878 HydrophobicContact CB-CG 4.09Å; P831-L878 HydrophobicContact CG-CG 4.42Å; P831-L878 WeakPolarHBondContact CG-O 3.5Å; L850-L878 HydrophobicContact CD2-CD2 4.48Å; T853-L878 HydrophobicContact CG2-CD2 4.46Å; F857-L878 HydrophobicContact CE1-CD1 4.23Å; F857-L878 HydrophobicContact CE1-CD2 4.32Å; F857-L878 HydrophobicContact CZ-CD1 3.76Å; F876-L878 HydrophobicContact CD2-CB 4.13Å; F876-L878 HydrophobicContact CE2-CB 3.97Å; F876-L878 HydrophobicContact CE2-CD2 4.43Å; L878-G880 PolarHBondContact O-N 3.36Å; L878-C881 PolarHBondContact N-O 3.09Å; L878-C881 PolarHBondContact O-N 2.91Å; L878-C881 VanDerWaalsContact O-O 3.12Å; L878-I883 HydrophobicContact CB-CG1 3.71Å; L878-I883 HydrophobicContact CD2-CG1 4.33Å |
| 879 | G | 71.9 | Confident | 73.6 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 47% | 0.474 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 34 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 880 | G | 68.8 | Low | 73.5 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 0.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L878 | L878-G880 PolarHBondContact O-N 3.36Š|
| 881 | C | 71.4 | Confident | 73.7 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.6 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | P831 M877 L878 I883 C906 | P831-C881 WeakPolarHBondContact CD-SG 3.24Å; P831-C881 HydrophobicContact CG-CB 4.08Å; M877-C881 WeakPolarHBondContact CA-O 3.49Å; L878-C881 PolarHBondContact N-O 3.09Å; L878-C881 PolarHBondContact O-N 2.91Å; L878-C881 VanDerWaalsContact O-O 3.12Å; C881-I883 HydrophobicContact CB-CD1 4.25Å; C881-I883 PolarHBondContact O-N 3.08Å; C881-C906 HydrophobicContact CB-CB 3.97Å; C881-C906 WeakPolarHBondContact CB-SG 3.5Å; C881-C906 WeakPolarHBondContact SG-CA 3.29Å; C881-C906 WeakPolarHBondContact SG-CB 3.19Å; C881-C906 CovalentContact SG-SG 2.03Å; C881-C906 PolarHBondContact SG-SG 2.82Å |
| 882 | I | 77.2 | Confident | 73.5 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 99.9 | 178.3 | -51.7 | 177.7 | 0 | 0 | 0 | 110.2 | R875 F876 A904 I905 | R875-I882 HydrophobicContact CG-CG2 3.72Å; F876-I882 CarbonylContact O-C 3.58Å; F876-I882 WeakPolarHBondContact O-CA 3.33Å; I882-A904 CarbonylContact O-C 3.43Å; I882-A904 WeakPolarHBondContact O-CA 3.47Å; I882-I905 HydrophobicContact CB-CB 4.32Å; I882-I905 PolarHBondContact N-O 3.08Å; I882-I905 PolarHBondContact O-N 3.4Å |
| 883 | I | 83.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 145.4 | 177.5 | -48.9 | -54.7 | 0 | 0 | 0 | 110.9 | P831 A832 L850 R875 F876 L878 C881 L885 P901 A904 | P831-I883 HydrophobicContact CG-CD1 4.46Å; A832-I883 HydrophobicContact CB-CD1 3.84Å; L850-I883 HydrophobicContact CD2-CG2 3.96Å; R875-I883 WeakPolarHBondContact CA-O 3.5Å; F876-I883 HydrophobicContact CD2-CB 4.02Å; F876-I883 HydrophobicContact CD2-CG1 4.34Å; F876-I883 HydrophobicContact CE1-CB 4.29Å; F876-I883 HydrophobicContact CE1-CG2 4.21Å; F876-I883 HydrophobicContact CE2-CB 3.51Å; F876-I883 HydrophobicContact CE2-CG1 3.82Å; F876-I883 HydrophobicContact CE2-CG2 3.86Å; F876-I883 HydrophobicContact CZ-CB 3.65Å; F876-I883 HydrophobicContact CZ-CG1 4.36Å; F876-I883 HydrophobicContact CZ-CG2 3.51Å; F876-I883 PolarHBondContact N-O 3.29Å; F876-I883 VanDerWaalsContact N-O 3.08Å; F876-I883 PolarHBondContact O-N 3.23Å; L878-I883 HydrophobicContact CB-CG1 3.71Å; L878-I883 HydrophobicContact CD2-CG1 4.33Å; C881-I883 HydrophobicContact CB-CD1 4.25Å; C881-I883 PolarHBondContact O-N 3.08Å; I883-L885 HydrophobicContact CG2-CD2 3.79Å; I883-L885 HydrophobicContact CG2-CG 4.26Å; I883-P901 HydrophobicContact CG2-CB 4.31Å; I883-A904 HydrophobicContact CD1-CB 3.6Å |
| 884 | K | 83.3 | Confident | 72.8 | Confident | 80 Ų | 80 | 50 Ų | 50 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 104.6 | 175.1 | -172.2 | -173 | -174.8 | 174.4 | 0 | 111.4 | C874 K902 E903 | C874-K884 CarbonylContact O-C 3.55Å; C874-K884 WeakPolarHBondContact O-CA 3.47Å; K884-K902 PolarHBondContact O-N 2.84Å; K884-E903 HydrophobicContact CB-CB 4.24Å; K884-E903 WeakPolarHBondContact CB-O 3.32Å; K884-E903 HydrophobicContact CD-CB 4.2Å; K884-E903 WeakPolarHBondContact CD-OE2 2.95Å; K884-E903 WeakPolarHBondContact CE-OE2 3.17Å; K884-E903 PolarHBondContact N-O 3.49Å; K884-E903 IonicContact NZ-OE2 3.29Å; K884-E903 PolarHBondContact NZ-OE2 2.59Å |
| 885 | L | 83.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.2 | 180 | -53.3 | 177.2 | 0 | 0 | 0 | 111.7 | L850 L861 Y862 G873 C874 F876 I883 Y900 P901 | L850-L885 HydrophobicContact CD2-CD2 4.47Å; L861-L885 HydrophobicContact CD1-CD1 3.83Å; L861-L885 HydrophobicContact CD2-CD1 3.89Å; L861-L885 HydrophobicContact CG-CD1 3.53Å; Y862-L885 HydrophobicContact CD1-CD1 4Å; Y862-L885 HydrophobicContact CE1-CB 4.16Å; Y862-L885 HydrophobicContact CE1-CD1 3.7Å; Y862-L885 HydrophobicContact CE1-CD2 3.81Å; Y862-L885 HydrophobicContact CE1-CG 4.09Å; G873-L885 CarbonylContact C-O 3.52Å; G873-L885 WeakPolarHBondContact CA-O 3.25Å; C874-L885 HydrophobicContact CB-CB 4.14Å; C874-L885 PolarHBondContact N-O 3.5Å; C874-L885 PolarHBondContact O-N 3.46Å; F876-L885 HydrophobicContact CE1-CD1 3.67Å; F876-L885 HydrophobicContact CE1-CG 3.67Å; F876-L885 HydrophobicContact CZ-CD1 3.73Å; F876-L885 HydrophobicContact CZ-CD2 4.33Å; F876-L885 HydrophobicContact CZ-CG 3.8Å; I883-L885 HydrophobicContact CG2-CD2 3.79Å; I883-L885 HydrophobicContact CG2-CG 4.26Å; L885-Y900 WeakPolarHBondContact CA-O 3.42Å; L885-P901 HydrophobicContact CD2-CB 3.68Å; L885-P901 HydrophobicContact CD2-CG 4.47Å |
| 886 | V | 78.2 | Confident | 71 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.3 | 167.6 | 169.1 | 0 | 0 | 0 | 0 | 109.1 | H888 A899 Y900 K902 | V886-H888 VanDerWaalsContact CG1-CD2 3.49Å; V886-H888 WeakPolarHBondContact CG1-CD2 3.25Å; V886-H888 WeakPolarHBondContact CG1-NE2 3.27Å; V886-A899 VanDerWaalsContact O-CA 3.29Å; V886-A899 WeakPolarHBondContact O-CA 3.1Å; V886-Y900 HydrophobicContact CB-CD1 4.47Å; V886-Y900 HydrophobicContact CB-CE1 4.05Å; V886-Y900 HydrophobicContact CB-CE2 4.14Å; V886-Y900 HydrophobicContact CG1-CE1 3.81Å; V886-Y900 HydrophobicContact CG2-CE2 4.37Å; V886-Y900 PolarHBondContact N-O 3.48Å; V886-Y900 PolarHBondContact O-N 3.19Å; V886-Y900 VanDerWaalsContact O-N 3.09Å; V886-K902 HydrophobicContact CB-CB 4.44Å; V886-K902 HydrophobicContact CG2-CB 3.57Å; V886-K902 HydrophobicContact CG2-CD 3.72Å; V886-K902 HydrophobicContact CG2-CG 4.24Å |
| 887 | V | 74.8 | Confident | 70.1 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 102.7 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | Y862 C865 L866 V896 A899 | Y862-V887 HydrophobicContact CD1-CG2 4.31Å; C865-V887 HydrophobicContact CB-CG2 3.83Å; L866-V887 HydrophobicContact CB-CG1 4.01Å; L866-V887 HydrophobicContact CD1-CG1 3.74Å; V887-V896 HydrophobicContact CG1-CG1 4.19Å; V887-A899 HydrophobicContact CG2-CB 4.37Å |
| 888 | H | 73.1 | Confident | 69.4 | Low | 92 Ų | 92 | 44 Ų | 44 | 43% | 0.426 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 159.4 | 173.5 | -60.4 | -94.3 | 0 | 0 | 0 | 111.5 | V886 T897 T898 | V886-H888 VanDerWaalsContact CG1-CD2 3.49Å; V886-H888 WeakPolarHBondContact CG1-CD2 3.25Å; V886-H888 WeakPolarHBondContact CG1-NE2 3.27Å; H888-T897 VanDerWaalsContact C-OG1 3.31Å; H888-T897 WeakPolarHBondContact CB-OG1 3.34Å; H888-T897 PolarHBondContact O-N 2.93Å; H888-T897 VanDerWaalsContact O-N 3.08Å; H888-T897 PolarHBondContact O-OG1 3.31Å; H888-T898 PolarHBondContact N-O 2.86Å |
| 889 | R | 68.7 | Low | 68.8 | Low | 74 Ų | 74 | 43.9 Ų | 43.9 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147 | -174.6 | -45.9 | -178 | -162.4 | -168.1 | -3.3 | 112.2 | L866 R869 N894 Q895 T897 | L866-R889 HydrophobicContact CD1-CG 3.61Å; L866-R889 PolarHBondContact O-NH1 3.33Å; L866-R889 PolarHBondContact O-NH2 3.34Å; R869-R889 PolarHBondContact O-NH2 2.94Å; R889-N894 WeakPolarHBondContact CD-OD1 3.28Å; R889-Q895 CarbonylContact C-O 3.16Å; R889-Q895 WeakPolarHBondContact CA-O 3.14Å; R889-T897 PolarHBondContact N-OG1 2.74Å |
| 890 | L | 65.3 | Low | 68.9 | Low | 60 Ų | 60 | 44.3 Ų | 44.3 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.7 | 166.6 | -141.7 | 71.5 | 0 | 0 | 0 | 110.4 | Y708 H893 N894 Q895 T897 | Y708-L890 HydrophobicContact CD2-CD2 4.47Å; Y708-L890 HydrophobicContact CG-CD2 4.37Å; L890-H893 PolarHBondContact O-N 3.44Å; L890-N894 WeakPolarHBondContact O-CA 3.2Å; L890-N894 PolarHBondContact O-N 3.1Å; L890-Q895 PolarHBondContact N-O 3.22Å; L890-T897 HydrophobicContact CB-CG2 3.53Å; L890-T897 HydrophobicContact CD1-CG2 3.73Å; L890-T897 HydrophobicContact CG-CG2 4.17Å |
| 891 | A | 55.2 | Low | 69.3 | Low | 87 Ų | 87 | 43 Ų | 43 | 72% | 0.719 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 148.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 892 | P | 51.4 | Low | 69.4 | Low | 114 Ų | 114 | 47.4 Ų | 47.4 | 74% | 0.74 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88 | -6 | 2.3 | 34.7 | -35 | 0 | 0 | 0 | 114.2 | ||
| 893 | H | 52.7 | Low | 68.9 | Low | 114 Ų | 114 | 49 Ų | 49 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -10 | -165.4 | -64.8 | -33.4 | 0 | 0 | 0 | 116.1 | L890 Q895 | L890-H893 PolarHBondContact O-N 3.44Å; H893-Q895 HydrophobicContact CB-CG 4.2Å; H893-Q895 VanDerWaalsContact CB-OE1 3.28Å; H893-Q895 PolarHBondContact O-N 2.84Å |
| 894 | N | 59.4 | Low | 67.9 | Low | 92 Ų | 92 | 49.3 Ų | 49.3 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.2 | -175.8 | -106.1 | -35.5 | 0 | 0 | 0 | 113.6 | R889 L890 | R889-N894 WeakPolarHBondContact CD-OD1 3.28Å; L890-N894 WeakPolarHBondContact O-CA 3.2Å; L890-N894 PolarHBondContact O-N 3.1Å |
| 895 | Q | 60.3 | Low | 66.9 | Low | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 142.8 | 167.4 | -74.2 | 158.8 | -75.8 | 0 | 0 | 109.3 | T706 G707 Y708 R889 L890 H893 | T706-Q895 PolarHBondContact O-NE2 3.1Å; G707-Q895 PolarHBondContact O-NE2 3.39Å; G707-Q895 VanDerWaalsContact O-NE2 3.09Å; Y708-Q895 HydrophobicContact CD1-CB 4.15Å; R889-Q895 CarbonylContact C-O 3.16Å; R889-Q895 WeakPolarHBondContact CA-O 3.14Å; L890-Q895 PolarHBondContact N-O 3.22Å; H893-Q895 HydrophobicContact CB-CG 4.2Å; H893-Q895 VanDerWaalsContact CB-OE1 3.28Å; H893-Q895 PolarHBondContact O-N 2.84Å |
| 896 | V | 62.9 | Low | 65.7 | Low | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 137.8 | 164.6 | -175.2 | 0 | 0 | 0 | 0 | 107.3 | Y708 A719 L866 V887 A899 | Y708-V896 WeakPolarHBondContact CE1-O 3.25Å; A719-V896 HydrophobicContact CB-CB 3.58Å; A719-V896 HydrophobicContact CB-CG1 4.07Å; A719-V896 HydrophobicContact CB-CG2 4.32Å; L866-V896 HydrophobicContact CB-CG2 4.27Å; L866-V896 HydrophobicContact CD1-CG2 3.83Å; L866-V896 HydrophobicContact CD2-CG2 3.42Å; L866-V896 VanDerWaalsContact CD2-CG2 3.42Å; L866-V896 HydrophobicContact CG-CG2 4.01Å; V887-V896 HydrophobicContact CG1-CG1 4.19Å; V896-A899 HydrophobicContact CG1-CB 3.78Å |
| 897 | T | 65.9 | Low | 64.3 | Low | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -26.6 | 172.8 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | Y708 H888 R889 L890 | Y708-T897 HydrophobicContact CD2-CG2 4.24Å; Y708-T897 HydrophobicContact CE2-CG2 4Å; Y708-T897 PolarHBondContact OH-O 3.17Å; H888-T897 VanDerWaalsContact C-OG1 3.31Å; H888-T897 WeakPolarHBondContact CB-OG1 3.34Å; H888-T897 PolarHBondContact O-N 2.93Å; H888-T897 VanDerWaalsContact O-N 3.08Å; H888-T897 PolarHBondContact O-OG1 3.31Å; R889-T897 PolarHBondContact N-OG1 2.74Å; L890-T897 HydrophobicContact CB-CG2 3.53Å; L890-T897 HydrophobicContact CD1-CG2 3.73Å; L890-T897 HydrophobicContact CG-CG2 4.17Å |
| 898 | T | 69 | Low | 62.8 | Low | 34 Ų | 34 | 52.2 Ų | 52.2 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 123.6 | -176 | -67.1 | 0 | 0 | 0 | 0 | 107.3 | H722 H888 Y900 | H722-T898 WeakPolarHBondContact NE2-CA 3.15Å; H722-T898 WeakPolarHBondContact NE2-CG2 3.4Å; H888-T898 PolarHBondContact N-O 2.86Å; T898-Y900 HydrophobicContact CG2-CD1 3.71Å; T898-Y900 HydrophobicContact CG2-CE1 3.59Å |
| 899 | A | 68.4 | Low | 61.6 | Low | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y723 Y862 V886 V887 V896 | Y723-A899 WeakPolarHBondContact CD2-O 3.32Å; Y862-A899 HydrophobicContact CD1-CB 3.74Å; Y862-A899 HydrophobicContact CE1-CB 4.11Å; Y862-A899 HydrophobicContact CG-CB 4.37Å; V886-A899 VanDerWaalsContact O-CA 3.29Å; V886-A899 WeakPolarHBondContact O-CA 3.1Å; V887-A899 HydrophobicContact CG2-CB 4.37Å; V896-A899 HydrophobicContact CG1-CB 3.78Å |
| 900 | Y | 74.9 | Confident | 60.1 | Low | 56 Ų | 56 | 52.7 Ų | 52.7 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 157.3 | -175.9 | 58.9 | -86.9 | 0 | 0 | 0 | 112.5 | H737 L885 V886 T898 K902 | H737-Y900 WeakPolarHBondContact CE1-CB 3.36Å; H737-Y900 AromaticContact CE1-CG 3.94Å; H737-Y900 WeakPolarHBondContact ND1-CB 3.49Å; L885-Y900 WeakPolarHBondContact CA-O 3.42Å; V886-Y900 HydrophobicContact CB-CD1 4.47Å; V886-Y900 HydrophobicContact CB-CE1 4.05Å; V886-Y900 HydrophobicContact CB-CE2 4.14Å; V886-Y900 HydrophobicContact CG1-CE1 3.81Å; V886-Y900 HydrophobicContact CG2-CE2 4.37Å; V886-Y900 PolarHBondContact N-O 3.48Å; V886-Y900 PolarHBondContact O-N 3.19Å; V886-Y900 VanDerWaalsContact O-N 3.09Å; T898-Y900 HydrophobicContact CG2-CD1 3.71Å; T898-Y900 HydrophobicContact CG2-CE1 3.59Å; Y900-K902 HydrophobicContact CD2-CB 4.23Å; Y900-K902 HydrophobicContact CE2-CB 3.8Å; Y900-K902 HydrophobicContact CE2-CG 4.39Å; Y900-K902 PolarHBondContact O-N 3.02Å |
| 901 | P | 77.4 | Confident | 58.7 | Low | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 116.3 | 165.3 | 26.6 | -22.9 | 0 | 0 | 0 | 109.4 | S848 L850 Y862 I883 L885 | S848-P901 WeakPolarHBondContact CB-O 3.07Å; S848-P901 WeakPolarHBondContact O-CD 3.43Å; S848-P901 PolarHBondContact OG-O 3.03Å; L850-P901 HydrophobicContact CD2-CB 4.05Å; L850-P901 HydrophobicContact CD2-CG 4.1Å; L850-P901 HydrophobicContact CG-CG 4.32Å; Y862-P901 WeakPolarHBondContact OH-CD 3.3Å; I883-P901 HydrophobicContact CG2-CB 4.31Å; L885-P901 HydrophobicContact CD2-CB 3.68Å; L885-P901 HydrophobicContact CD2-CG 4.47Å |
| 902 | K | 73.5 | Confident | 57.7 | Low | 98 Ų | 98 | 66.4 Ų | 66.4 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -45.3 | -178.7 | 169.6 | 171.1 | 172 | 169.9 | 0 | 112.2 | K884 V886 Y900 | K884-K902 PolarHBondContact O-N 2.84Å; V886-K902 HydrophobicContact CB-CB 4.44Å; V886-K902 HydrophobicContact CG2-CB 3.57Å; V886-K902 HydrophobicContact CG2-CD 3.72Å; V886-K902 HydrophobicContact CG2-CG 4.24Å; Y900-K902 HydrophobicContact CD2-CB 4.23Å; Y900-K902 HydrophobicContact CE2-CB 3.8Å; Y900-K902 HydrophobicContact CE2-CG 4.39Å; Y900-K902 PolarHBondContact O-N 3.02Å |
| 903 | E | 65.7 | Low | 58 | Low | 59 Ų | 59 | 64.1 Ų | 64.1 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 133.2 | -177.2 | -79.4 | 152.5 | 167.8 | 0 | 0 | 106.2 | K884 | K884-E903 HydrophobicContact CB-CB 4.24Å; K884-E903 WeakPolarHBondContact CB-O 3.32Å; K884-E903 HydrophobicContact CD-CB 4.2Å; K884-E903 WeakPolarHBondContact CD-OE2 2.95Å; K884-E903 WeakPolarHBondContact CE-OE2 3.17Å; K884-E903 PolarHBondContact N-O 3.49Å; K884-E903 IonicContact NZ-OE2 3.29Å; K884-E903 PolarHBondContact NZ-OE2 2.59Å |
| 904 | A | 62.3 | Low | 58.3 | Low | 6 Ų | 6 | 61.4 Ų | 61.4 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | trans | -109.5 | 160.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | E759 A832 I882 I883 | E759-A904 VanDerWaalsContact OE1-CB 3.28Å; E759-A904 WeakPolarHBondContact OE1-CB 3.22Å; E759-A904 VanDerWaalsContact OE2-O 3.09Å; A832-A904 HydrophobicContact CB-CB 3.88Å; I882-A904 CarbonylContact O-C 3.43Å; I882-A904 WeakPolarHBondContact O-CA 3.47Å; I883-A904 HydrophobicContact CD1-CB 3.6Å | ||
| 905 | I | 62.9 | Low | 58.2 | Low | 43 Ų | 43 | 59.7 Ų | 59.7 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | trans | -132.3 | 79.6 | 174.6 | -50.9 | 178.1 | 0 | 0 | 0 | 106.9 | E759 I882 E907 | E759-I905 WeakPolarHBondContact OE2-CA 3.43Å; E759-I905 PolarHBondContact OE2-N 2.86Å; I882-I905 HydrophobicContact CB-CB 4.32Å; I882-I905 PolarHBondContact N-O 3.08Å; I882-I905 PolarHBondContact O-N 3.4Å; I905-E907 PolarHBondContact O-N 2.78Å | ||
| 906 | C | 57.8 | Low | 58.1 | Low | 39 Ų | 39 | 62.7 Ų | 62.7 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | trans | -76.6 | 65.3 | 173 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | E759 C881 | E759-C906 WeakPolarHBondContact OE2-CB 3.46Å; E759-C906 PolarHBondContact OE2-N 3.02Å; C881-C906 HydrophobicContact CB-CB 3.97Å; C881-C906 WeakPolarHBondContact CB-SG 3.5Å; C881-C906 WeakPolarHBondContact SG-CA 3.29Å; C881-C906 WeakPolarHBondContact SG-CB 3.19Å; C881-C906 CovalentContact SG-SG 2.03Å; C881-C906 PolarHBondContact SG-SG 2.82Å | ||
| 907 | E | 49.2 | Very low | 57.8 | Low | 48 Ų | 48 | 66.5 Ų | 66.5 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | trans | -139.8 | -52.2 | 166.9 | -78.8 | -143.2 | 110.5 | 0 | 0 | 112.7 | T761 I905 A909 K910 | T761-E907 WeakPolarHBondContact CA-OE2 3.38Å; T761-E907 WeakPolarHBondContact CG2-OE2 3.34Å; I905-E907 PolarHBondContact O-N 2.78Å; E907-A909 PolarHBondContact O-N 3.28Å; E907-K910 HydrophobicContact CB-CD 4Å; E907-K910 HydrophobicContact CG-CD 4.28Å; E907-K910 VanDerWaalsContact O-CB 3.26Å; E907-K910 WeakPolarHBondContact O-CB 3.16Å; E907-K910 WeakPolarHBondContact O-CD 3.35Å; E907-K910 WeakPolarHBondContact O-CG 3.36Å; E907-K910 PolarHBondContact O-N 3.3Å; E907-K910 IonicContact OE1-NZ 3.06Å; E907-K910 PolarHBondContact OE1-NZ 2.94Å | ||
| 908 | E | 43 | Very low | 57.3 | Low | 51 Ų | 51 | 70 Ų | 70 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 40 | -157.1 | -61.8 | -176.9 | 125.4 | 0 | 0 | 115.5 | R911 | E908-R911 HydrophobicContact CB-CG 4.37Å; E908-R911 HydrophobicContact CG-CG 4.4Å; E908-R911 IonicContact OE1-CZ 2.81Å; E908-R911 IonicContact OE1-NE 2.64Å; E908-R911 PolarHBondContact OE1-NE 2.78Å; E908-R911 IonicContact OE1-NH2 2.86Å; E908-R911 PolarHBondContact OE1-NH2 3Å |
| 909 | A | 47 | Very low | 56.4 | Low | 58 Ų | 58 | 72.6 Ų | 72.6 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.6 | 132.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E907 R911 E912 | E907-A909 PolarHBondContact O-N 3.28Å; A909-R911 PolarHBondContact O-N 3.37Å; A909-E912 PolarHBondContact O-N 3.07Å; A909-E912 VanDerWaalsContact O-N 3.12Å |
| 910 | K | 37.7 | Very low | 55.5 | Low | 117 Ų | 117 | 78.1 Ų | 78.1 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 27.9 | 169.1 | -65.9 | 163.3 | 178.9 | 163.6 | 0 | 114.8 | E907 | E907-K910 HydrophobicContact CB-CD 4Å; E907-K910 HydrophobicContact CG-CD 4.28Å; E907-K910 VanDerWaalsContact O-CB 3.26Å; E907-K910 WeakPolarHBondContact O-CB 3.16Å; E907-K910 WeakPolarHBondContact O-CD 3.35Å; E907-K910 WeakPolarHBondContact O-CG 3.36Å; E907-K910 PolarHBondContact O-N 3.3Å; E907-K910 IonicContact OE1-NZ 3.06Å; E907-K910 PolarHBondContact OE1-NZ 2.94Å |
| 911 | R | 35.5 | Very low | 53.9 | Low | 193 Ų | 193 | 79.9 Ų | 79.9 | 73% | 0.728 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | -8.8 | 172.2 | -77 | -155.9 | -164.1 | -148.1 | 6.3 | 114.2 | E908 A909 | E908-R911 HydrophobicContact CB-CG 4.37Å; E908-R911 HydrophobicContact CG-CG 4.4Å; E908-R911 IonicContact OE1-CZ 2.81Å; E908-R911 IonicContact OE1-NE 2.64Å; E908-R911 PolarHBondContact OE1-NE 2.78Å; E908-R911 IonicContact OE1-NH2 2.86Å; E908-R911 PolarHBondContact OE1-NH2 3Å; A909-R911 PolarHBondContact O-N 3.37Å |
| 912 | E | 34.8 | Very low | 51.8 | Low | 243 Ų | 243 | 86.8 Ų | 86.8 | 100% | 1.136 | 41% | 0.414 | S | S | * | . | trans | -99 | 0 | 166 | -67.7 | -161.9 | 138.1 | 0 | 0 | 110.8 | A909 | A909-E912 PolarHBondContact O-N 3.07Å; A909-E912 VanDerWaalsContact O-N 3.12Å |
Retrieved 912 of 912 residues in 1362.8 ms
(Link to these results)