| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.1 | Very low | 84.7 | Confident | 245 Ų | 245 | 63.8 Ų | 63.8 | 100% | 1.207 | 35% | 0.354 | S | S | * | . | 0 | 131.1 | 0 | -71.8 | -179.9 | -116.8 | 0 | 0 | 106.3 | |||||
| 2 | S | 61.2 | Low | 85.5 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | trans | -62.6 | 140.7 | 177.6 | 37.7 | 0 | 0 | 0 | 0 | 111 | D6 V83 | S2-D6 WeakPolarHBondContact CA-OD2 3.46Å; S2-D6 WeakPolarHBondContact CB-OD2 3.27Å; S2-V83 WeakPolarHBondContact OG-CA 3.48Å; S2-V83 PolarHBondContact OG-N 2.68Å; S2-V83 VanDerWaalsContact OG-N 3.11Å | ||
| 3 | D | 82.1 | Confident | 86.3 | Confident | 80 Ų | 80 | 60 Ų | 60 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | trans | -84 | 151.5 | -179.9 | -173.3 | -8.1 | 0 | 0 | 0 | 109.3 | K5 D6 | D3-K5 HydrophobicContact CB-CB 4.3Å; D3-K5 PolarHBondContact O-N 2.97Å; D3-K5 PolarHBondContact OD1-N 2.92Å; D3-K5 VanDerWaalsContact OD2-CD 3.28Å; D3-K5 WeakPolarHBondContact OD2-CD 2.95Å; D3-K5 WeakPolarHBondContact OD2-CG 3.36Å; D3-D6 PolarHBondContact N-OD2 3.08Å; D3-D6 VanDerWaalsContact O-CB 3.26Å; D3-D6 WeakPolarHBondContact O-CB 3.36Å; D3-D6 PolarHBondContact O-N 2.87Å | ||
| 4 | L | 92.2 | Very high | 86.6 | Confident | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.047 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -57.9 | -25.2 | 170.8 | -72.2 | 176.9 | 0 | 0 | 0 | 111.8 | D6 L7 V83 Y88 Q92 Y93 M108 | L4-D6 PolarHBondContact O-N 3.21Å; L4-L7 HydrophobicContact CD2-CD1 4.07Å; L4-L7 VanDerWaalsContact O-CB 3.31Å; L4-L7 WeakPolarHBondContact O-CB 3.47Å; L4-L7 PolarHBondContact O-N 3.15Å; L4-V83 HydrophobicContact CD2-CG2 4.27Å; L4-Y88 HydrophobicContact CD1-CD1 4.27Å; L4-Y88 HydrophobicContact CD1-CD2 4.12Å; L4-Y88 HydrophobicContact CD1-CG 3.86Å; L4-Y88 HydrophobicContact CD2-CD2 3.82Å; L4-Y88 HydrophobicContact CD2-CE2 3.88Å; L4-Y88 HydrophobicContact CD2-CG 4.36Å; L4-Y88 HydrophobicContact CG-CD2 4.46Å; L4-Q92 HydrophobicContact CD1-CB 3.79Å; L4-Q92 WeakPolarHBondContact CD1-O 3.21Å; L4-Y93 HydrophobicContact CD1-CD1 4.37Å; L4-Y93 HydrophobicContact CD1-CE1 4.33Å; L4-Y93 HydrophobicContact CD2-CE1 4.47Å; L4-M108 HydrophobicContact CD2-CE 3.89Å; L4-M108 HydrophobicContact CD2-SD 4Å |
| 5 | K | 91.6 | Very high | 86.9 | Confident | 133 Ų | 133 | 69.3 Ų | 69.3 | 58% | 0.578 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -55.9 | -28.3 | 170.7 | -66.8 | -176.8 | -170.7 | 171 | 0 | 113.6 | D3 L7 C8 P94 | D3-K5 HydrophobicContact CB-CB 4.3Å; D3-K5 PolarHBondContact O-N 2.97Å; D3-K5 PolarHBondContact OD1-N 2.92Å; D3-K5 VanDerWaalsContact OD2-CD 3.28Å; D3-K5 WeakPolarHBondContact OD2-CD 2.95Å; D3-K5 WeakPolarHBondContact OD2-CG 3.36Å; K5-L7 PolarHBondContact O-N 3.39Å; K5-C8 WeakPolarHBondContact O-CB 3.33Å; K5-C8 PolarHBondContact O-N 3.3Å; K5-P94 HydrophobicContact CG-CB 4.3Å; K5-P94 HydrophobicContact CG-CG 4.02Å |
| 6 | D | 90.4 | Very high | 87.5 | Confident | 87 Ų | 87 | 67.1 Ų | 67.1 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -64.2 | -22.1 | 177 | -65.6 | -18.1 | 0 | 0 | 0 | 112.2 | S2 D3 L4 C8 R139 | S2-D6 WeakPolarHBondContact CA-OD2 3.46Å; S2-D6 WeakPolarHBondContact CB-OD2 3.27Å; D3-D6 PolarHBondContact N-OD2 3.08Å; D3-D6 VanDerWaalsContact O-CB 3.26Å; D3-D6 WeakPolarHBondContact O-CB 3.36Å; D3-D6 PolarHBondContact O-N 2.87Å; L4-D6 PolarHBondContact O-N 3.21Å; D6-C8 VanDerWaalsContact C-N 3.32Å; D6-R139 PolarHBondContact O-NH1 3.3Å; D6-R139 VanDerWaalsContact O-NH1 3.15Å |
| 7 | L | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -77.3 | -21.1 | 176.6 | -58.6 | -176.5 | 0 | 0 | 0 | 112.4 | L4 K5 P81 V83 M104 M108 F138 M142 | L4-L7 HydrophobicContact CD2-CD1 4.07Å; L4-L7 VanDerWaalsContact O-CB 3.31Å; L4-L7 WeakPolarHBondContact O-CB 3.47Å; L4-L7 PolarHBondContact O-N 3.15Å; K5-L7 PolarHBondContact O-N 3.39Å; L7-P81 HydrophobicContact CD2-CB 3.76Å; L7-P81 HydrophobicContact CD2-CG 4.16Å; L7-V83 HydrophobicContact CD1-CG1 4.1Å; L7-V83 HydrophobicContact CD2-CG1 3.89Å; L7-V83 HydrophobicContact CG-CG1 4.22Å; L7-M104 HydrophobicContact CB-CE 4.45Å; L7-M108 HydrophobicContact CD1-CE 3.91Å; L7-M108 HydrophobicContact CD1-SD 3.75Å; L7-F138 HydrophobicContact CD1-CZ 4.46Å; L7-F138 HydrophobicContact CD2-CE1 3.95Å; L7-F138 HydrophobicContact CD2-CZ 4.33Å; L7-M142 HydrophobicContact CB-CB 4.04Å; L7-M142 HydrophobicContact CB-CG 4.46Å; L7-M142 HydrophobicContact CD1-CE 3.69Å; L7-M142 WeakPolarHBondContact O-CB 3.22Å |
| 8 | C | 93.4 | Very high | 88.2 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -19.1 | -174.8 | -56.1 | 0 | 0 | 0 | 0 | 113 | K5 D6 G10 P94 R143 S146 | K5-C8 WeakPolarHBondContact O-CB 3.33Å; K5-C8 PolarHBondContact O-N 3.3Å; D6-C8 VanDerWaalsContact C-N 3.32Å; C8-G10 PolarHBondContact O-N 2.75Å; C8-P94 WeakPolarHBondContact SG-CG 3.45Å; C8-R143 WeakPolarHBondContact O-CB 3.46Å; C8-R143 WeakPolarHBondContact O-CG 3.31Å; C8-S146 WeakPolarHBondContact CB-OG 3.39Å; C8-S146 WeakPolarHBondContact SG-CB 3.46Å |
| 9 | G | 92.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 10 | G | 93.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | trans | 75.1 | -134.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C8 P12 | C8-G10 PolarHBondContact O-N 2.75Å; G10-P12 VanDerWaalsContact O-CD 3.3Å; G10-P12 WeakPolarHBondContact O-CD 3.33Å | ||
| 11 | L | 96.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 13% | 0.126 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -78.8 | 119.5 | -179.3 | -65.9 | 171.5 | 0 | 0 | 0 | 110.7 | L13 Y51 F52 F79 A136 R139 L140 | L11-L13 HydrophobicContact CB-CD1 4.47Å; L11-L13 HydrophobicContact CB-CD2 4.09Å; L11-L13 HydrophobicContact CB-CG 4.1Å; L11-L13 PolarHBondContact O-N 2.72Å; L11-Y51 WeakPolarHBondContact CD1-O 3.42Å; L11-F52 HydrophobicContact CD1-CD1 4.28Å; L11-F52 HydrophobicContact CD1-CE1 4.03Å; L11-F52 HydrophobicContact CD2-CE1 4.16Å; L11-F79 HydrophobicContact CD2-CD1 4.1Å; L11-F79 HydrophobicContact CD2-CG 4.47Å; L11-A136 HydrophobicContact CD2-CB 3.74Å; L11-R139 HydrophobicContact CD2-CB 3.87Å; L11-R139 HydrophobicContact CD2-CG 4.32Å; L11-L140 HydrophobicContact CD1-CD1 4.4Å; L11-L140 HydrophobicContact CD1-CD2 4.24Å; L11-L140 HydrophobicContact CD1-CG 4.31Å; L11-L140 HydrophobicContact CG-CD2 4.2Å; L11-L140 HydrophobicContact CG-CG 4.27Å |
| 12 | P | 94.9 | Very high | 90.8 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | trans | -73.3 | 114.6 | 168.9 | 29.3 | -34.3 | 0 | 0 | 0 | 109.9 | G10 P17 F79 | G10-P12 VanDerWaalsContact O-CD 3.3Å; G10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-P17 HydrophobicContact CB-CG 4.49Å; P12-P17 HydrophobicContact CG-CB 4.42Å; P12-P17 HydrophobicContact CG-CG 3.81Å; P12-P17 VanDerWaalsContact O-CD 3.24Å; P12-P17 WeakPolarHBondContact O-CD 3.37Å; P12-F79 HydrophobicContact CG-CD1 4.23Å | ||
| 13 | L | 95 | Very high | 92.3 | Very high | 35 Ų | 35 | 60.7 Ų | 60.7 | 18% | 0.183 | 34% | 0.337 | C | S | . | . | trans | -115.9 | -35.2 | -173.1 | -63.5 | 176.1 | 0 | 0 | 0 | 113.5 | L11 P15 L16 F52 P53 H56 | L11-L13 HydrophobicContact CB-CD1 4.47Å; L11-L13 HydrophobicContact CB-CD2 4.09Å; L11-L13 HydrophobicContact CB-CG 4.1Å; L11-L13 PolarHBondContact O-N 2.72Å; L13-P15 VanDerWaalsContact C-C 3.47Å; L13-P15 CarbonylContact O-C 3.58Å; L13-L16 HydrophobicContact CD2-CD2 4.22Å; L13-L16 PolarHBondContact O-N 2.97Å; L13-F52 HydrophobicContact CD2-CD1 3.76Å; L13-F52 HydrophobicContact CD2-CE1 4.36Å; L13-P53 HydrophobicContact CD1-CG 3.73Å; L13-H56 PolarHBondContact O-CE1 3.34Å | ||
| 14 | D | 90.5 | Very high | 92.7 | Very high | 142 Ų | 142 | 62.3 Ų | 62.3 | 76% | 0.759 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -129.1 | 100.8 | -175.9 | -69.5 | -49.1 | 0 | 0 | 0 | 111.9 | H56 | D14-H56 IonicContact OD1-CE1 2.73Å; D14-H56 PolarHBondContact OD1-CE1 2.94Å; D14-H56 IonicContact OD1-NE2 2.8Å |
| 15 | P | 92.3 | Very high | 92.5 | Very high | 117 Ų | 117 | 68.7 Ų | 68.7 | 76% | 0.76 | 39% | 0.386 | S | S | * | . | S | Bend | cis | -73.6 | 157.9 | -8.9 | 32.7 | -35 | 0 | 0 | 0 | 112.2 | L13 | L13-P15 VanDerWaalsContact C-C 3.47Å; L13-P15 CarbonylContact O-C 3.58Å |
| 16 | L | 95.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 136.5 | 167.8 | -74.7 | 173.8 | 0 | 0 | 0 | 109.3 | L13 H56 T59 L60 F79 | L13-L16 HydrophobicContact CD2-CD2 4.22Å; L13-L16 PolarHBondContact O-N 2.97Å; L16-H56 HydrophobicContact CD1-CB 4.27Å; L16-T59 HydrophobicContact CD1-CG2 4.45Å; L16-L60 HydrophobicContact CD1-CD2 4.41Å; L16-F79 HydrophobicContact CD2-CE1 4.29Å; L16-F79 HydrophobicContact CD2-CZ 4.02Å |
| 17 | P | 94.4 | Very high | 92 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 153.7 | 177.1 | 30.2 | -37.1 | 0 | 0 | 0 | 109.9 | P12 N19 R78 F79 | P12-P17 HydrophobicContact CB-CG 4.49Å; P12-P17 HydrophobicContact CG-CB 4.42Å; P12-P17 HydrophobicContact CG-CG 3.81Å; P12-P17 VanDerWaalsContact O-CD 3.24Å; P12-P17 WeakPolarHBondContact O-CD 3.37Å; P17-N19 PolarHBondContact O-N 3.46Å; P17-R78 HydrophobicContact CG-CG 3.76Å; P17-R78 WeakPolarHBondContact CG-O 3.39Å; P17-R78 WeakPolarHBondContact O-CG 3.41Å; P17-R78 PolarHBondContact O-NH1 2.78Å; P17-F79 HydrophobicContact CG-CD1 4.26Å; P17-F79 HydrophobicContact CG-CE1 4.32Å |
| 18 | P | 93.4 | Very high | 91.8 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 137.8 | 177.2 | 26.1 | -34.3 | 0 | 0 | 0 | 110.7 | R20 | P18-R20 PolarHBondContact O-N 3.11Š|
| 19 | N | 93.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -75.6 | 111.2 | 172.1 | -176.3 | -3 | 0 | 0 | 0 | 109.2 | P17 G21 E63 R78 | P17-N19 PolarHBondContact O-N 3.46Å; N19-G21 PolarHBondContact OD1-N 2.98Å; N19-E63 PolarHBondContact ND2-OE1 3.5Å; N19-E63 PolarHBondContact ND2-OE2 2.97Å; N19-R78 HydrophobicContact CB-CB 4.33Å | ||
| 20 | R | 90.4 | Very high | 90.9 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 64% | 0.642 | 37% | 0.367 | S | S | * | . | trans | -91.6 | -10.6 | -179.4 | -61.6 | 179.7 | -174.7 | -179.2 | 0 | 113.1 | P18 | P18-R20 PolarHBondContact O-N 3.11Š| ||
| 21 | G | 90.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 26% | 0.258 | 39% | 0.392 | S | S | . | . | trans | 56.7 | -151.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N19 | N19-G21 PolarHBondContact OD1-N 2.98Š| ||
| 22 | R | 92.9 | Very high | 89.7 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | trans | -80.6 | 137.3 | 177 | -75.8 | -174.6 | 177 | -165.4 | -5.9 | 111.4 | P24 H28 Y71 Y77 E121 | R22-P24 WeakPolarHBondContact O-CD 3.35Å; R22-H28 VanDerWaalsContact CB-CE1 3.42Å; R22-H28 WeakPolarHBondContact CB-CE1 3.28Å; R22-H28 VanDerWaalsContact CG-CE1 3.41Å; R22-H28 WeakPolarHBondContact CG-CE1 3.37Å; R22-Y71 VanDerWaalsContact CZ-CE1 3.44Å; R22-Y77 HydrophobicContact CG-CE1 4.04Å; R22-Y77 HydrophobicContact CG-CE2 4.17Å; R22-Y77 PolarHBondContact NE-OH 2.91Å; R22-Y77 PolarHBondContact NH2-OH 2.74Å; R22-E121 IonicContact CZ-OE1 3.76Å; R22-E121 IonicContact NE-OE1 2.72Å; R22-E121 PolarHBondContact NE-OE1 3.06Å; R22-E121 IonicContact NH2-OE1 3.37Å | ||
| 23 | D | 92.4 | Very high | 89 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 32% | 0.321 | 40% | 0.403 | S | S | . | . | trans | -84.5 | 112.4 | 170.9 | 179.5 | -3.6 | 0 | 0 | 0 | 109.6 | N25 V26 H28 Q120 | D23-N25 PolarHBondContact O-N 3.19Å; D23-N25 WeakPolarHBondContact OD1-CB 3.18Å; D23-N25 PolarHBondContact OD1-N 3.43Å; D23-N25 PolarHBondContact OD1-ND2 2.91Å; D23-V26 HydrophobicContact CB-CG2 4.18Å; D23-V26 WeakPolarHBondContact O-CG2 3.47Å; D23-V26 PolarHBondContact O-N 3.41Å; D23-V26 VanDerWaalsContact O-N 3.15Å; D23-H28 PolarHBondContact O-NE2 2.73Å; D23-Q120 VanDerWaalsContact CB-NE2 3.27Å | ||
| 24 | P | 89.4 | Confident | 88.4 | Confident | 114 Ų | 114 | 70.7 Ų | 70.7 | 74% | 0.74 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -10.6 | -176.6 | 28.9 | -36.6 | 0 | 0 | 0 | 114 | R22 | R22-P24 WeakPolarHBondContact O-CD 3.35Š|
| 25 | N | 88.5 | Confident | 88.2 | Confident | 143 Ų | 143 | 70.1 Ų | 70.1 | 77% | 0.765 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -3.7 | -179.9 | -54.4 | -68.2 | 0 | 0 | 0 | 113.7 | D23 | D23-N25 PolarHBondContact O-N 3.19Å; D23-N25 WeakPolarHBondContact OD1-CB 3.18Å; D23-N25 PolarHBondContact OD1-N 3.43Å; D23-N25 PolarHBondContact OD1-ND2 2.91Å |
| 26 | V | 87.7 | Confident | 88.2 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -112.3 | 149.2 | 174.2 | -57.9 | 0 | 0 | 0 | 0 | 111 | D23 H28 P119 Q120 | D23-V26 HydrophobicContact CB-CG2 4.18Å; D23-V26 WeakPolarHBondContact O-CG2 3.47Å; D23-V26 PolarHBondContact O-N 3.41Å; D23-V26 VanDerWaalsContact O-N 3.15Å; V26-H28 PolarHBondContact O-CD2 3.23Å; V26-P119 HydrophobicContact CB-CG 4.36Å; V26-Q120 HydrophobicContact CG2-CG 3.99Å |
| 27 | P | 84.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | trans | -64.1 | 141.7 | 173.6 | 27.5 | -35.4 | 0 | 0 | 0 | 110.7 | Q117 F118 | P27-Q117 VanDerWaalsContact CG-O 3.28Å; P27-Q117 WeakPolarHBondContact CG-O 3.38Å; P27-F118 HydrophobicContact CB-CD1 4.1Å; P27-F118 HydrophobicContact CB-CE1 4.35Å | ||
| 28 | H | 86.1 | Confident | 88.3 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 21% | 0.208 | 40% | 0.404 | C | S | . | . | trans | -119 | 146.7 | -178.7 | -76 | -72.6 | 0 | 0 | 0 | 112.7 | R22 D23 V26 F118 Q120 E121 | R22-H28 VanDerWaalsContact CB-CE1 3.42Å; R22-H28 WeakPolarHBondContact CB-CE1 3.28Å; R22-H28 VanDerWaalsContact CG-CE1 3.41Å; R22-H28 WeakPolarHBondContact CG-CE1 3.37Å; D23-H28 PolarHBondContact O-NE2 2.73Å; V26-H28 PolarHBondContact O-CD2 3.23Å; H28-F118 WeakPolarHBondContact O-CD1 3.21Å; H28-F118 WeakPolarHBondContact O-CE1 3.34Å; H28-Q120 PolarHBondContact CE1-OE1 3.02Å; H28-E121 WeakPolarHBondContact CA-OE2 3.41Å; H28-E121 IonicContact CE1-OE1 2.69Å; H28-E121 IonicContact CG-OE1 2.68Å; H28-E121 IonicContact CG-OE2 3.58Å; H28-E121 IonicContact ND1-OE1 3.54Å; H28-E121 PolarHBondContact ND1-OE1 3.32Å; H28-E121 IonicContact ND1-OE2 2.96Å; H28-E121 PolarHBondContact ND1-OE2 3.32Å | ||
| 29 | A | 85.6 | Confident | 88.5 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 5% | 0.05 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 145.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F118 E121 | A29-F118 HydrophobicContact CB-CB 4.1Å; A29-F118 HydrophobicContact CB-CD2 3.54Å; A29-F118 HydrophobicContact CB-CE2 4.04Å; A29-F118 HydrophobicContact CB-CG 3.86Å; A29-F118 VanDerWaalsContact N-CG 3.33Å; A29-E121 HydrophobicContact CB-CB 3.96Å; A29-E121 HydrophobicContact CB-CG 3.84Å; A29-E121 PolarHBondContact N-OE2 3.16Å |
| 30 | P | 81.4 | Confident | 88.7 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 148.5 | 171.2 | -24.8 | 33.6 | 0 | 0 | 0 | 112.1 | R32 | P30-R32 PolarHBondContact O-N 3.14Š|
| 31 | V | 85.4 | Confident | 89.1 | Confident | 88 Ų | 88 | 70 Ų | 70 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 133.1 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | Q70 | V31-Q70 WeakPolarHBondContact CG1-O 3.32Š|
| 32 | R | 80.1 | Confident | 89.4 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 11% | 0.109 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 152.2 | 177.5 | -62.1 | -165.9 | -178.6 | -148.7 | 21.8 | 111.5 | P30 P34 Y71 G72 Y191 E192 F195 | P30-R32 PolarHBondContact O-N 3.14Å; R32-P34 WeakPolarHBondContact O-CD 3.33Å; R32-Y71 PolarHBondContact N-O 3.37Å; R32-G72 VanDerWaalsContact O-CA 3.24Å; R32-G72 WeakPolarHBondContact O-CA 3.48Å; R32-Y191 PolarHBondContact NH1-OH 3Å; R32-Y191 VanDerWaalsContact NH1-OH 3.11Å; R32-Y191 PolarHBondContact NH2-OH 3.17Å; R32-E192 IonicContact CZ-OE2 2.86Å; R32-E192 IonicContact NH1-OE1 3.06Å; R32-E192 PolarHBondContact NH1-OE1 3.35Å; R32-E192 IonicContact NH1-OE2 2.7Å; R32-E192 PolarHBondContact NH1-OE2 2.63Å; R32-F195 VanDerWaalsContact CZ-CE1 3.45Å |
| 33 | T | 80 | Confident | 89.7 | Confident | 85 Ų | 85 | 78 Ų | 78 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | trans | -126.2 | 74.4 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | N35 | T33-N35 PolarHBondContact O-N 3.39Å; T33-N35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | P | 81.4 | Confident | 90 | Very high | 17 Ų | 17 | 75.1 Ų | 75.1 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | trans | -69.4 | -6.3 | -175.1 | 29.7 | -38 | 0 | 0 | 0 | 114.3 | R32 L36 A196 | R32-P34 WeakPolarHBondContact O-CD 3.33Å; P34-L36 VanDerWaalsContact C-N 3.29Å; P34-L36 HydrophobicContact CB-CD2 4.12Å; P34-L36 HydrophobicContact CB-CG 4.05Å; P34-L36 HydrophobicContact CG-CD1 4.45Å; P34-L36 HydrophobicContact CG-CG 3.95Å; P34-L36 PolarHBondContact O-N 2.89Å; P34-A196 HydrophobicContact CB-CB 3.57Å; P34-A196 HydrophobicContact CG-CB 3.62Å | ||
| 35 | N | 86.4 | Confident | 90.4 | Very high | 129 Ų | 129 | 71.5 Ų | 71.5 | 69% | 0.69 | 37% | 0.371 | S | S | * | . | trans | 49.4 | 47.5 | -179.3 | -62.1 | -32.5 | 0 | 0 | 0 | 112.6 | T33 | T33-N35 PolarHBondContact O-N 3.39Å; T33-N35 VanDerWaalsContact O-N 3.12Å | ||
| 36 | L | 93.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 36% | 0.364 | C | S | . | . | trans | -69.5 | 141 | 178.2 | -62.3 | -173.4 | 0 | 0 | 0 | 111 | P34 E40 E41 A44 L68 R193 A196 | P34-L36 VanDerWaalsContact C-N 3.29Å; P34-L36 HydrophobicContact CB-CD2 4.12Å; P34-L36 HydrophobicContact CB-CG 4.05Å; P34-L36 HydrophobicContact CG-CD1 4.45Å; P34-L36 HydrophobicContact CG-CG 3.95Å; P34-L36 PolarHBondContact O-N 2.89Å; L36-E40 HydrophobicContact CB-CB 3.97Å; L36-E40 HydrophobicContact CD2-CB 4.13Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-E41 HydrophobicContact CB-CG 3.92Å; L36-A44 HydrophobicContact CD1-CB 4.34Å; L36-L68 HydrophobicContact CD1-CD1 4.3Å; L36-L68 HydrophobicContact CD1-CD2 4.43Å; L36-R193 HydrophobicContact CD2-CB 4.34Å; L36-R193 HydrophobicContact CD2-CG 4.23Å; L36-A196 HydrophobicContact CD1-CB 3.96Å; L36-A196 HydrophobicContact CD2-CB 4.4Å; L36-A196 HydrophobicContact CG-CB 4.39Å | ||
| 37 | R | 95.1 | Very high | 91.4 | Very high | 157 Ų | 157 | 71.8 Ų | 71.8 | 59% | 0.592 | 36% | 0.359 | S | S | * | . | trans | -72.9 | 159.8 | 167 | -62.5 | 178.2 | -68.6 | 160.4 | 0.8 | 110 | E39 E40 E41 | R37-E39 PolarHBondContact O-N 3.4Å; R37-E39 VanDerWaalsContact O-N 3.1Å; R37-E40 HydrophobicContact CB-CG 4.42Å; R37-E40 WeakPolarHBondContact CB-OE2 3.44Å; R37-E40 IonicContact CZ-OE1 3.41Å; R37-E40 PolarHBondContact N-OE2 3.45Å; R37-E40 IonicContact NE-OE1 3.15Å; R37-E40 PolarHBondContact NE-OE1 3.24Å; R37-E40 VanDerWaalsContact NE-OE1 3.15Å; R37-E40 IonicContact NE-OE2 3.43Å; R37-E40 PolarHBondContact NE-OE2 3.44Å; R37-E40 IonicContact NH2-OE1 2.79Å; R37-E40 PolarHBondContact NH2-OE1 2.88Å; R37-E40 CarbonylContact O-C 3.56Å; R37-E40 WeakPolarHBondContact O-CA 3.42Å; R37-E40 WeakPolarHBondContact O-CB 3.42Å; R37-E40 PolarHBondContact O-N 3.47Å; R37-E41 PolarHBondContact O-N 2.99Å | ||
| 38 | A | 96.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.1 | -34.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R42 | A38-R42 WeakPolarHBondContact O-CG 3.31Å; A38-R42 PolarHBondContact O-N 3.33Å |
| 39 | E | 97.7 | Very high | 92.7 | Very high | 144 Ų | 144 | 67.4 Ų | 67.4 | 67% | 0.673 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.3 | -36.3 | 174.4 | -64.5 | -174.3 | 162.9 | 0 | 0 | 112.6 | R37 R42 L43 | R37-E39 PolarHBondContact O-N 3.4Å; R37-E39 VanDerWaalsContact O-N 3.1Å; E39-R42 PolarHBondContact O-N 3.24Å; E39-L43 WeakPolarHBondContact O-CB 3.3Å; E39-L43 PolarHBondContact O-N 3.2Å |
| 40 | E | 97.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 74.5 Ų | 74.5 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -73.2 | -36.6 | 177.9 | -70.1 | 163.5 | 167.4 | 0 | 0 | 111.1 | L36 R37 L43 A44 L197 | L36-E40 HydrophobicContact CB-CB 3.97Å; L36-E40 HydrophobicContact CD2-CB 4.13Å; L36-E40 HydrophobicContact CG-CB 4.44Å; R37-E40 HydrophobicContact CB-CG 4.42Å; R37-E40 WeakPolarHBondContact CB-OE2 3.44Å; R37-E40 IonicContact CZ-OE1 3.41Å; R37-E40 PolarHBondContact N-OE2 3.45Å; R37-E40 IonicContact NE-OE1 3.15Å; R37-E40 PolarHBondContact NE-OE1 3.24Å; R37-E40 VanDerWaalsContact NE-OE1 3.15Å; R37-E40 IonicContact NE-OE2 3.43Å; R37-E40 PolarHBondContact NE-OE2 3.44Å; R37-E40 IonicContact NH2-OE1 2.79Å; R37-E40 PolarHBondContact NH2-OE1 2.88Å; R37-E40 CarbonylContact O-C 3.56Å; R37-E40 WeakPolarHBondContact O-CA 3.42Å; R37-E40 WeakPolarHBondContact O-CB 3.42Å; R37-E40 PolarHBondContact O-N 3.47Å; E40-L43 CarbonylContact O-C 3.56Å; E40-L43 WeakPolarHBondContact O-CB 3.41Å; E40-L43 PolarHBondContact O-N 3.47Å; E40-A44 WeakPolarHBondContact O-CB 3.38Å; E40-A44 PolarHBondContact O-N 2.75Å; E40-L197 HydrophobicContact CB-CD2 4.13Å; E40-L197 WeakPolarHBondContact O-CD2 3.34Å |
| 41 | E | 97.7 | Very high | 94.2 | Very high | 78 Ų | 78 | 72.4 Ų | 72.4 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 170.4 | -66.9 | -174.8 | 163.8 | 0 | 0 | 111.3 | L36 R37 L43 A44 L45 L68 | L36-E41 HydrophobicContact CB-CG 3.92Å; R37-E41 PolarHBondContact O-N 2.99Å; E41-L43 VanDerWaalsContact C-N 3.26Å; E41-L43 PolarHBondContact O-N 3.4Å; E41-A44 WeakPolarHBondContact O-CB 3.38Å; E41-A44 PolarHBondContact O-N 3.02Å; E41-L45 WeakPolarHBondContact O-CG 3.02Å; E41-L45 PolarHBondContact O-N 2.89Å; E41-L68 HydrophobicContact CB-CD2 4.26Å; E41-L68 HydrophobicContact CG-CD2 4.31Å |
| 42 | R | 98.3 | Very high | 94.8 | Very high | 184 Ų | 184 | 68.7 Ų | 68.7 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -39.2 | 174.2 | -72.5 | 174.6 | 178.2 | -172.7 | 0.3 | 111.5 | A38 E39 R46 | A38-R42 WeakPolarHBondContact O-CG 3.31Å; A38-R42 PolarHBondContact O-N 3.33Å; E39-R42 PolarHBondContact O-N 3.24Å; R42-R46 WeakPolarHBondContact O-CB 2.96Å; R42-R46 PolarHBondContact O-N 3.17Å |
| 43 | L | 98.7 | Very high | 95.6 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 176.1 | -178.2 | 60.4 | 0 | 0 | 0 | 111.8 | E39 E40 E41 L45 R46 N47 L197 | E39-L43 WeakPolarHBondContact O-CB 3.3Å; E39-L43 PolarHBondContact O-N 3.2Å; E40-L43 CarbonylContact O-C 3.56Å; E40-L43 WeakPolarHBondContact O-CB 3.41Å; E40-L43 PolarHBondContact O-N 3.47Å; E41-L43 VanDerWaalsContact C-N 3.26Å; E41-L43 PolarHBondContact O-N 3.4Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.8Å; L43-R46 PolarHBondContact O-N 3.49Å; L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 2.98Å; L43-N47 PolarHBondContact O-OD1 2.93Å; L43-L197 HydrophobicContact CB-CD2 4.09Å; L43-L197 HydrophobicContact CD2-CD2 4.08Å; L43-L197 HydrophobicContact CG-CD2 4.09Å |
| 44 | A | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L36 E40 E41 N47 A48 L68 I74 L197 | L36-A44 HydrophobicContact CD1-CB 4.34Å; E40-A44 WeakPolarHBondContact O-CB 3.38Å; E40-A44 PolarHBondContact O-N 2.75Å; E41-A44 WeakPolarHBondContact O-CB 3.38Å; E41-A44 PolarHBondContact O-N 3.02Å; A44-N47 WeakPolarHBondContact O-CB 3.43Å; A44-N47 PolarHBondContact O-N 3.28Å; A44-A48 WeakPolarHBondContact O-CB 3.45Å; A44-A48 PolarHBondContact O-N 3.18Å; A44-L68 HydrophobicContact CB-CD2 4.03Å; A44-I74 HydrophobicContact CB-CD1 4.27Å; A44-L197 HydrophobicContact CB-CD2 4.1Å |
| 45 | L | 98.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 74.2 Ų | 74.2 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 176.1 | -65.3 | 176.1 | 0 | 0 | 0 | 112 | E41 L43 N47 A48 L49 F64 A65 I74 | E41-L45 WeakPolarHBondContact O-CG 3.02Å; E41-L45 PolarHBondContact O-N 2.89Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.8Å; L45-N47 PolarHBondContact O-N 3.32Å; L45-A48 PolarHBondContact O-N 2.66Å; L45-L49 WeakPolarHBondContact O-CB 3.27Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.31Å; L45-L49 PolarHBondContact O-N 3.18Å; L45-F64 HydrophobicContact CD2-CB 3.78Å; L45-A65 HydrophobicContact CD1-CB 3.99Å; L45-A65 HydrophobicContact CD2-CB 3.92Å; L45-A65 VanDerWaalsContact CD2-N 3.33Å; L45-I74 HydrophobicContact CD2-CD1 4.09Å |
| 46 | R | 98.8 | Very high | 97.8 | Very high | 166 Ų | 166 | 68.8 Ų | 68.8 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.8 | -43.1 | 174.5 | -173.9 | -174.9 | -62.2 | 155.1 | 1.2 | 110.5 | R42 L43 L49 R50 | R42-R46 WeakPolarHBondContact O-CB 2.96Å; R42-R46 PolarHBondContact O-N 3.17Å; L43-R46 PolarHBondContact O-N 3.49Å; R46-L49 PolarHBondContact O-N 2.94Å; R46-R50 WeakPolarHBondContact O-CG 3.48Å; R46-R50 PolarHBondContact O-N 2.62Å |
| 47 | N | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 70.4 Ų | 70.4 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | -178.2 | -79.9 | -6.3 | 0 | 0 | 0 | 112.3 | L43 A44 L45 R50 L197 | L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 PolarHBondContact O-N 2.98Å; L43-N47 PolarHBondContact O-OD1 2.93Å; A44-N47 WeakPolarHBondContact O-CB 3.43Å; A44-N47 PolarHBondContact O-N 3.28Å; L45-N47 PolarHBondContact O-N 3.32Å; N47-R50 VanDerWaalsContact CA-NE 3.35Å; N47-R50 PolarHBondContact O-NE 2.78Å; N47-R50 PolarHBondContact O-NH2 3.07Å; N47-R50 VanDerWaalsContact OD1-CZ 3.24Å; N47-R50 PolarHBondContact OD1-NH2 3.45Å; N47-L197 VanDerWaalsContact CB-O 3.25Å; N47-L197 WeakPolarHBondContact CB-O 3.44Å; N47-L197 PolarHBondContact ND2-O 3.23Å |
| 48 | A | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 66.8 Ų | 66.8 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A44 L45 R50 Y51 F52 F64 I74 M76 | A44-A48 WeakPolarHBondContact O-CB 3.45Å; A44-A48 PolarHBondContact O-N 3.18Å; L45-A48 PolarHBondContact O-N 2.66Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.32Å; A48-Y51 WeakPolarHBondContact O-CD2 3.48Å; A48-F52 WeakPolarHBondContact O-CE2 3.47Å; A48-F64 HydrophobicContact CB-CD2 3.73Å; A48-F64 HydrophobicContact CB-CE2 4.13Å; A48-F64 HydrophobicContact CB-CG 4.43Å; A48-I74 HydrophobicContact CB-CD1 3.77Å; A48-I74 HydrophobicContact CB-CG2 4.03Å; A48-M76 HydrophobicContact CB-CE 3.76Å |
| 49 | L | 98.8 | Very high | 98.2 | Very high | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.1 | -17.4 | -179.2 | -71.7 | 170.6 | 0 | 0 | 0 | 114 | L45 R46 Y51 F52 H57 L60 A61 F64 | L45-L49 WeakPolarHBondContact O-CB 3.27Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.31Å; L45-L49 PolarHBondContact O-N 3.18Å; R46-L49 PolarHBondContact O-N 2.94Å; L49-Y51 PolarHBondContact O-N 3.02Å; L49-Y51 VanDerWaalsContact O-N 3.11Å; L49-F52 PolarHBondContact O-N 3.27Å; L49-H57 HydrophobicContact CD1-CB 4.48Å; L49-H57 HydrophobicContact CD2-CB 4.26Å; L49-H57 PolarHBondContact O-NE2 2.9Å; L49-L60 HydrophobicContact CD2-CB 3.89Å; L49-A61 HydrophobicContact CD1-CB 3.96Å; L49-A61 HydrophobicContact CD2-CB 4.46Å; L49-F64 HydrophobicContact CD2-CD2 4.08Å; L49-F64 HydrophobicContact CD2-CE2 4.05Å; L49-F64 HydrophobicContact CG-CD2 4.42Å |
| 50 | R | 98.6 | Very high | 98.2 | Very high | 154 Ų | 154 | 60.3 Ų | 60.3 | 58% | 0.581 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.9 | 178 | -72.5 | 177 | -62.6 | -174 | -3 | 114.1 | R46 N47 A48 F52 | R46-R50 WeakPolarHBondContact O-CG 3.48Å; R46-R50 PolarHBondContact O-N 2.62Å; N47-R50 VanDerWaalsContact CA-NE 3.35Å; N47-R50 PolarHBondContact O-NE 2.78Å; N47-R50 PolarHBondContact O-NH2 3.07Å; N47-R50 VanDerWaalsContact OD1-CZ 3.24Å; N47-R50 PolarHBondContact OD1-NH2 3.45Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.32Å; R50-F52 PolarHBondContact O-N 2.76Å |
| 51 | Y | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -10.9 | 178 | -64.8 | -80.1 | 0 | 0 | 0 | 113.3 | L11 A48 L49 M76 A136 Q137 L140 H160 | L11-Y51 WeakPolarHBondContact CD1-O 3.42Å; A48-Y51 WeakPolarHBondContact O-CD2 3.48Å; L49-Y51 PolarHBondContact O-N 3.02Å; L49-Y51 VanDerWaalsContact O-N 3.11Å; Y51-M76 HydrophobicContact CD2-CE 3.89Å; Y51-M76 HydrophobicContact CE2-CE 4.2Å; Y51-A136 HydrophobicContact CD1-CB 4.33Å; Y51-A136 HydrophobicContact CD2-CB 4.49Å; Y51-A136 HydrophobicContact CG-CB 4.08Å; Y51-Q137 HydrophobicContact CE1-CG 4.07Å; Y51-Q137 PolarHBondContact OH-NE2 3.25Å; Y51-L140 HydrophobicContact CD1-CD1 3.66Å; Y51-L140 HydrophobicContact CE1-CD1 4.13Å; Y51-H160 AromaticContact CE1-CE1 3.9Å; Y51-H160 AromaticContact CE1-ND1 3.41Å; Y51-H160 WeakPolarHBondContact CE1-ND1 3.48Å; Y51-H160 AromaticContact CZ-ND1 3.57Å; Y51-H160 PolarHBondContact OH-ND1 3.34Å |
| 52 | F | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -124.6 | 145.6 | -167.3 | -54.5 | -76.6 | 0 | 0 | 0 | 111.9 | L11 L13 A48 L49 R50 H57 L60 F64 M76 F79 A136 | L11-F52 HydrophobicContact CD1-CD1 4.28Å; L11-F52 HydrophobicContact CD1-CE1 4.03Å; L11-F52 HydrophobicContact CD2-CE1 4.16Å; L13-F52 HydrophobicContact CD2-CD1 3.76Å; L13-F52 HydrophobicContact CD2-CE1 4.36Å; A48-F52 WeakPolarHBondContact O-CE2 3.47Å; L49-F52 PolarHBondContact O-N 3.27Å; R50-F52 PolarHBondContact O-N 2.76Å; F52-H57 PolarHBondContact O-NE2 3.27Å; F52-L60 HydrophobicContact CB-CD1 3.83Å; F52-L60 HydrophobicContact CD1-CD1 3.59Å; F52-L60 HydrophobicContact CD2-CD1 3.74Å; F52-L60 HydrophobicContact CE1-CD1 4.08Å; F52-L60 HydrophobicContact CE2-CD1 4.19Å; F52-L60 HydrophobicContact CG-CD1 3.4Å; F52-L60 VanDerWaalsContact CG-CD1 3.4Å; F52-L60 HydrophobicContact CZ-CD1 4.34Å; F52-F64 AromaticContact CD2-CE2 3.92Å; F52-F64 HydrophobicContact CD2-CE2 3.92Å; F52-F64 HydrophobicContact CD2-CZ 4.12Å; F52-F64 AromaticContact CE2-CE2 3.55Å; F52-F64 HydrophobicContact CE2-CE2 3.55Å; F52-F64 AromaticContact CE2-CZ 3.42Å; F52-F64 HydrophobicContact CE2-CZ 3.42Å; F52-F64 VanDerWaalsContact CE2-CZ 3.42Å; F52-F64 HydrophobicContact CZ-CE2 4.47Å; F52-F64 AromaticContact CZ-CZ 3.9Å; F52-F64 HydrophobicContact CZ-CZ 3.9Å; F52-M76 HydrophobicContact CE2-CE 4.31Å; F52-M76 HydrophobicContact CE2-SD 3.88Å; F52-M76 HydrophobicContact CZ-SD 3.87Å; F52-F79 HydrophobicContact CD1-CE2 4.41Å; F52-F79 AromaticContact CD1-CZ 3.93Å; F52-F79 HydrophobicContact CD1-CZ 3.93Å; F52-F79 HydrophobicContact CE1-CD1 4.39Å; F52-F79 HydrophobicContact CE1-CD2 4.11Å; F52-F79 AromaticContact CE1-CE1 3.71Å; F52-F79 HydrophobicContact CE1-CE1 3.71Å; F52-F79 AromaticContact CE1-CE2 3.38Å; F52-F79 HydrophobicContact CE1-CE2 3.38Å; F52-F79 AromaticContact CE1-CZ 3.14Å; F52-F79 HydrophobicContact CE1-CZ 3.14Å; F52-F79 HydrophobicContact CE2-CE2 4.47Å; F52-F79 AromaticContact CZ-CD2 3.94Å; F52-F79 HydrophobicContact CZ-CD2 3.94Å; F52-F79 HydrophobicContact CZ-CE1 4.48Å; F52-F79 AromaticContact CZ-CE2 3.4Å; F52-F79 HydrophobicContact CZ-CE2 3.4Å; F52-F79 AromaticContact CZ-CZ 3.72Å; F52-F79 HydrophobicContact CZ-CZ 3.72Å; F52-A136 HydrophobicContact CZ-CB 3.93Å |
| 53 | P | 97.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | trans | -59.4 | 150.5 | 170 | -25.2 | 33.6 | 0 | 0 | 0 | 112.9 | L13 S55 H56 H57 | L13-P53 HydrophobicContact CD1-CG 3.73Å; P53-S55 PolarHBondContact O-N 3.47Å; P53-S55 VanDerWaalsContact O-N 3.08Å; P53-H56 PolarHBondContact O-N 2.75Å; P53-H56 VanDerWaalsContact O-N 3.08Å; P53-H57 PolarHBondContact O-CD2 3.14Å; P53-H57 PolarHBondContact O-NE2 2.93Å | ||
| 54 | P | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 49.9 Ų | 49.9 | 69% | 0.688 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -54.2 | -29.6 | 179.6 | -28.7 | 36.1 | 0 | 0 | 0 | 115.1 | H56 H57 | P54-H56 PolarHBondContact O-N 3.3Å; P54-H57 WeakPolarHBondContact O-CB 3.27Å; P54-H57 PolarHBondContact O-N 3.45Å; P54-H57 VanDerWaalsContact O-N 3.12Å |
| 55 | S | 97.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -57.3 | -29 | 177.9 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | P53 | P53-S55 PolarHBondContact O-N 3.47Å; P53-S55 VanDerWaalsContact O-N 3.08Å |
| 56 | H | 97.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.069 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -97.7 | -6.3 | -179.2 | -55.3 | -66.4 | 0 | 0 | 0 | 113.4 | L13 D14 L16 P53 P54 A58 T59 L60 | L13-H56 PolarHBondContact O-CE1 3.34Å; D14-H56 IonicContact OD1-CE1 2.73Å; D14-H56 PolarHBondContact OD1-CE1 2.94Å; D14-H56 IonicContact OD1-NE2 2.8Å; L16-H56 HydrophobicContact CD1-CB 4.27Å; P53-H56 PolarHBondContact O-N 2.75Å; P53-H56 VanDerWaalsContact O-N 3.08Å; P54-H56 PolarHBondContact O-N 3.3Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.28Å; H56-T59 PolarHBondContact O-N 3.14Å; H56-L60 HydrophobicContact CB-CD1 3.82Å; H56-L60 HydrophobicContact CB-CG 4.25Å; H56-L60 WeakPolarHBondContact O-CB 3.43Å; H56-L60 WeakPolarHBondContact O-CG 3.45Å; H56-L60 PolarHBondContact O-N 3.27Å |
| 57 | H | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | -172.1 | -73.5 | -170.7 | 0 | 0 | 0 | 112.6 | L49 F52 P53 P54 T59 L60 A61 | L49-H57 HydrophobicContact CD1-CB 4.48Å; L49-H57 HydrophobicContact CD2-CB 4.26Å; L49-H57 PolarHBondContact O-NE2 2.9Å; F52-H57 PolarHBondContact O-NE2 3.27Å; P53-H57 PolarHBondContact O-CD2 3.14Å; P53-H57 PolarHBondContact O-NE2 2.93Å; P54-H57 WeakPolarHBondContact O-CB 3.27Å; P54-H57 PolarHBondContact O-N 3.45Å; P54-H57 VanDerWaalsContact O-N 3.12Å; H57-T59 VanDerWaalsContact C-N 3.31Å; H57-T59 PolarHBondContact O-N 2.81Å; H57-L60 PolarHBondContact O-N 2.87Å; H57-A61 WeakPolarHBondContact O-CB 3.38Å; H57-A61 PolarHBondContact O-N 3.39Å |
| 58 | A | 97.1 | Very high | 98 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 67% | 0.669 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H56 | H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.28Å |
| 59 | T | 96.6 | Very high | 97.7 | Very high | 77 Ų | 77 | 54.9 Ų | 54.9 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.7 | -49.9 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | L16 H56 H57 E63 | L16-T59 HydrophobicContact CD1-CG2 4.45Å; H56-T59 PolarHBondContact O-N 3.14Å; H57-T59 VanDerWaalsContact C-N 3.31Å; H57-T59 PolarHBondContact O-N 2.81Å; T59-E63 PolarHBondContact O-N 2.93Å |
| 60 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.7 | -30.5 | -172.9 | -65.3 | 177.6 | 0 | 0 | 0 | 112.8 | L16 L49 F52 H56 H57 S62 E63 F64 F79 | L16-L60 HydrophobicContact CD1-CD2 4.41Å; L49-L60 HydrophobicContact CD2-CB 3.89Å; F52-L60 HydrophobicContact CB-CD1 3.83Å; F52-L60 HydrophobicContact CD1-CD1 3.59Å; F52-L60 HydrophobicContact CD2-CD1 3.74Å; F52-L60 HydrophobicContact CE1-CD1 4.08Å; F52-L60 HydrophobicContact CE2-CD1 4.19Å; F52-L60 HydrophobicContact CG-CD1 3.4Å; F52-L60 VanDerWaalsContact CG-CD1 3.4Å; F52-L60 HydrophobicContact CZ-CD1 4.34Å; H56-L60 HydrophobicContact CB-CD1 3.82Å; H56-L60 HydrophobicContact CB-CG 4.25Å; H56-L60 WeakPolarHBondContact O-CB 3.43Å; H56-L60 WeakPolarHBondContact O-CG 3.45Å; H56-L60 PolarHBondContact O-N 3.27Å; H57-L60 PolarHBondContact O-N 2.87Å; L60-S62 PolarHBondContact O-N 3.22Å; L60-E63 PolarHBondContact O-N 2.86Å; L60-F64 HydrophobicContact CB-CD2 4.27Å; L60-F64 HydrophobicContact CB-CE1 4.47Å; L60-F64 HydrophobicContact CB-CE2 3.82Å; L60-F64 HydrophobicContact CB-CZ 3.92Å; L60-F64 HydrophobicContact CD1-CE2 4.5Å; L60-F64 HydrophobicContact CD1-CZ 4.25Å; L60-F64 HydrophobicContact CD2-CE1 4.33Å; L60-F64 HydrophobicContact CD2-CZ 4.13Å; L60-F64 HydrophobicContact CG-CZ 4.32Å; L60-F64 WeakPolarHBondContact O-CB 3.34Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 WeakPolarHBondContact O-CG 3.38Å; L60-F64 PolarHBondContact O-N 3.4Å; L60-F79 HydrophobicContact CD1-CZ 4.34Å; L60-F79 HydrophobicContact CD2-CE2 4.15Å; L60-F79 HydrophobicContact CD2-CZ 4.26Å |
| 61 | A | 98.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L49 H57 A65 | L49-A61 HydrophobicContact CD1-CB 3.96Å; L49-A61 HydrophobicContact CD2-CB 4.46Å; H57-A61 WeakPolarHBondContact O-CB 3.38Å; H57-A61 PolarHBondContact O-N 3.39Å; A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.4Å; A61-A65 PolarHBondContact O-N 3.32Å |
| 62 | S | 97.5 | Very high | 97 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 177.3 | -63 | 0 | 0 | 0 | 0 | 111.9 | L60 A65 Q66 | L60-S62 PolarHBondContact O-N 3.22Å; S62-A65 PolarHBondContact O-N 3.03Å; S62-Q66 PolarHBondContact O-N 3.01Å |
| 63 | E | 98 | Very high | 96.9 | Very high | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 177.1 | -177.3 | 170.7 | 119.8 | 0 | 0 | 111.7 | N19 T59 L60 A65 Q66 E67 R78 | N19-E63 PolarHBondContact ND2-OE1 3.5Å; N19-E63 PolarHBondContact ND2-OE2 2.97Å; T59-E63 PolarHBondContact O-N 2.93Å; L60-E63 PolarHBondContact O-N 2.86Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 3.23Å; E63-Q66 WeakPolarHBondContact O-CB 3.35Å; E63-Q66 PolarHBondContact O-N 3.28Å; E63-Q66 VanDerWaalsContact O-N 3.09Å; E63-E67 PolarHBondContact O-N 3.34Å; E63-R78 WeakPolarHBondContact OE1-CB 3.24Å; E63-R78 IonicContact OE1-NE 3.97Å; E63-R78 PolarHBondContact OE1-NE 2.86Å; E63-R78 IonicContact OE2-CZ 3.64Å; E63-R78 VanDerWaalsContact OE2-CZ 3.3Å; E63-R78 IonicContact OE2-NE 3.87Å; E63-R78 PolarHBondContact OE2-NE 2.82Å; E63-R78 IonicContact OE2-NH2 2.71Å; E63-R78 PolarHBondContact OE2-NH2 3.02Å |
| 64 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -34.7 | 178.6 | -63.1 | -15.5 | 0 | 0 | 0 | 112.2 | L45 A48 L49 F52 L60 Q66 E67 L68 I74 M76 F79 | L45-F64 HydrophobicContact CD2-CB 3.78Å; A48-F64 HydrophobicContact CB-CD2 3.73Å; A48-F64 HydrophobicContact CB-CE2 4.13Å; A48-F64 HydrophobicContact CB-CG 4.43Å; L49-F64 HydrophobicContact CD2-CD2 4.08Å; L49-F64 HydrophobicContact CD2-CE2 4.05Å; L49-F64 HydrophobicContact CG-CD2 4.42Å; F52-F64 AromaticContact CD2-CE2 3.92Å; F52-F64 HydrophobicContact CD2-CE2 3.92Å; F52-F64 HydrophobicContact CD2-CZ 4.12Å; F52-F64 AromaticContact CE2-CE2 3.55Å; F52-F64 HydrophobicContact CE2-CE2 3.55Å; F52-F64 AromaticContact CE2-CZ 3.42Å; F52-F64 HydrophobicContact CE2-CZ 3.42Å; F52-F64 VanDerWaalsContact CE2-CZ 3.42Å; F52-F64 HydrophobicContact CZ-CE2 4.47Å; F52-F64 AromaticContact CZ-CZ 3.9Å; F52-F64 HydrophobicContact CZ-CZ 3.9Å; L60-F64 HydrophobicContact CB-CD2 4.27Å; L60-F64 HydrophobicContact CB-CE1 4.47Å; L60-F64 HydrophobicContact CB-CE2 3.82Å; L60-F64 HydrophobicContact CB-CZ 3.92Å; L60-F64 HydrophobicContact CD1-CE2 4.5Å; L60-F64 HydrophobicContact CD1-CZ 4.25Å; L60-F64 HydrophobicContact CD2-CE1 4.33Å; L60-F64 HydrophobicContact CD2-CZ 4.13Å; L60-F64 HydrophobicContact CG-CZ 4.32Å; L60-F64 WeakPolarHBondContact O-CB 3.34Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 WeakPolarHBondContact O-CG 3.38Å; L60-F64 PolarHBondContact O-N 3.4Å; F64-Q66 VanDerWaalsContact C-N 3.28Å; F64-Q66 PolarHBondContact O-N 3.03Å; F64-E67 PolarHBondContact O-N 3.32Å; F64-L68 WeakPolarHBondContact O-CB 3.09Å; F64-L68 PolarHBondContact O-N 2.97Å; F64-I74 HydrophobicContact CB-CD1 4.14Å; F64-I74 HydrophobicContact CB-CG1 4.29Å; F64-I74 HydrophobicContact CB-CG2 3.68Å; F64-I74 HydrophobicContact CD1-CG2 3.61Å; F64-I74 HydrophobicContact CD2-CG2 4.2Å; F64-I74 HydrophobicContact CE1-CG2 4.3Å; F64-I74 HydrophobicContact CG-CG2 3.56Å; F64-M76 HydrophobicContact CD1-CG 4.33Å; F64-M76 HydrophobicContact CE1-CB 3.95Å; F64-M76 HydrophobicContact CE1-CG 3.7Å; F64-M76 HydrophobicContact CZ-CB 4.34Å; F64-M76 HydrophobicContact CZ-CG 3.86Å; F64-M76 HydrophobicContact CZ-SD 4.2Å; F64-F79 HydrophobicContact CZ-CE2 4.48Å |
| 65 | A | 98.2 | Very high | 97 | Very high | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -34.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L45 A61 S62 E63 R69 | L45-A65 HydrophobicContact CD1-CB 3.99Å; L45-A65 HydrophobicContact CD2-CB 3.92Å; L45-A65 VanDerWaalsContact CD2-N 3.33Å; A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.4Å; A61-A65 PolarHBondContact O-N 3.32Å; S62-A65 PolarHBondContact O-N 3.03Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 3.23Å; A65-R69 VanDerWaalsContact O-CG 3.29Å; A65-R69 WeakPolarHBondContact O-CG 3.39Å; A65-R69 PolarHBondContact O-N 3.44Å |
| 66 | Q | 97.4 | Very high | 97 | Very high | 102 Ų | 102 | 39.7 Ų | 39.7 | 48% | 0.477 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.3 | -46.9 | 174.3 | -176.2 | 176 | 10.3 | 0 | 0 | 111.4 | S62 E63 F64 L68 R69 Q70 | S62-Q66 PolarHBondContact O-N 3.01Å; E63-Q66 WeakPolarHBondContact O-CB 3.35Å; E63-Q66 PolarHBondContact O-N 3.28Å; E63-Q66 VanDerWaalsContact O-N 3.09Å; F64-Q66 VanDerWaalsContact C-N 3.28Å; F64-Q66 PolarHBondContact O-N 3.03Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-L68 PolarHBondContact O-N 2.97Å; Q66-R69 PolarHBondContact O-N 3.26Å; Q66-Q70 HydrophobicContact CG-CG 4.23Å; Q66-Q70 VanDerWaalsContact NE2-NE2 3.16Å; Q66-Q70 WeakPolarHBondContact O-CB 3.47Å; Q66-Q70 VanDerWaalsContact O-CG 3.32Å; Q66-Q70 WeakPolarHBondContact O-CG 3.26Å; Q66-Q70 PolarHBondContact O-N 3.12Å |
| 67 | E | 97.7 | Very high | 97 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 176 | -70.6 | -169.2 | -175 | 0 | 0 | 111.7 | E63 F64 R69 Q70 Y71 H73 Y75 M76 Y77 | E63-E67 PolarHBondContact O-N 3.34Å; F64-E67 PolarHBondContact O-N 3.32Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 3.07Å; E67-Q70 PolarHBondContact O-N 3.24Å; E67-Y71 HydrophobicContact CB-CD2 3.98Å; E67-Y71 HydrophobicContact CB-CE2 4.36Å; E67-Y71 HydrophobicContact CG-CD2 4.22Å; E67-Y71 HydrophobicContact CG-CE2 4.14Å; E67-Y71 WeakPolarHBondContact O-CB 3.33Å; E67-Y71 WeakPolarHBondContact O-CD2 3.37Å; E67-Y71 PolarHBondContact O-N 3.43Å; E67-H73 CarbonylContact C-O 3.51Å; E67-Y75 PolarHBondContact OE2-N 2.94Å; E67-M76 PolarHBondContact OE1-N 3.42Å; E67-M76 PolarHBondContact OE2-N 3.44Å; E67-Y77 HydrophobicContact CG-CD2 4.25Å; E67-Y77 VanDerWaalsContact OE1-CD2 3.31Å; E67-Y77 WeakPolarHBondContact OE1-CD2 3.49Å; E67-Y77 PolarHBondContact OE1-N 2.7Å |
| 68 | L | 96.7 | Very high | 97 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 178.9 | -174.5 | 62.8 | 0 | 0 | 0 | 111.8 | L36 E41 A44 F64 Q66 G72 I74 A196 | L36-L68 HydrophobicContact CD1-CD1 4.3Å; L36-L68 HydrophobicContact CD1-CD2 4.43Å; E41-L68 HydrophobicContact CB-CD2 4.26Å; E41-L68 HydrophobicContact CG-CD2 4.31Å; A44-L68 HydrophobicContact CB-CD2 4.03Å; F64-L68 WeakPolarHBondContact O-CB 3.09Å; F64-L68 PolarHBondContact O-N 2.97Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-L68 PolarHBondContact O-N 2.97Å; L68-G72 WeakPolarHBondContact O-CA 3.42Å; L68-G72 PolarHBondContact O-N 2.87Å; L68-I74 HydrophobicContact CB-CD1 4.47Å; L68-I74 HydrophobicContact CB-CG1 3.98Å; L68-I74 HydrophobicContact CD1-CG1 4.37Å; L68-A196 HydrophobicContact CD1-CB 4.48Å |
| 69 | R | 94.2 | Very high | 97 | Very high | 189 Ų | 189 | 34.4 Ų | 34.4 | 71% | 0.713 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -71.3 | -38.7 | 178.3 | -71.5 | 172.7 | -170.6 | 147.8 | 2.9 | 113.2 | A65 Q66 E67 | A65-R69 VanDerWaalsContact O-CG 3.29Å; A65-R69 WeakPolarHBondContact O-CG 3.39Å; A65-R69 PolarHBondContact O-N 3.44Å; Q66-R69 PolarHBondContact O-N 3.26Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 3.07Å |
| 70 | Q | 93.5 | Very high | 97 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 41% | 0.411 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -80.9 | -33.1 | -174.7 | -71.8 | -175.6 | -14.4 | 0 | 0 | 112.6 | V31 Q66 E67 | V31-Q70 WeakPolarHBondContact CG1-O 3.32Å; Q66-Q70 HydrophobicContact CG-CG 4.23Å; Q66-Q70 VanDerWaalsContact NE2-NE2 3.16Å; Q66-Q70 WeakPolarHBondContact O-CB 3.47Å; Q66-Q70 VanDerWaalsContact O-CG 3.32Å; Q66-Q70 WeakPolarHBondContact O-CG 3.26Å; Q66-Q70 PolarHBondContact O-N 3.12Å; E67-Q70 PolarHBondContact O-N 3.24Å |
| 71 | Y | 93.6 | Very high | 96.8 | Very high | 40 Ų | 40 | 32.9 Ų | 32.9 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -123 | -9.5 | -168.2 | -47.5 | -49.2 | 0 | 0 | 0 | 113.4 | R22 R32 E67 H73 Y77 | R22-Y71 VanDerWaalsContact CZ-CE1 3.44Å; R32-Y71 PolarHBondContact N-O 3.37Å; E67-Y71 HydrophobicContact CB-CD2 3.98Å; E67-Y71 HydrophobicContact CB-CE2 4.36Å; E67-Y71 HydrophobicContact CG-CD2 4.22Å; E67-Y71 HydrophobicContact CG-CE2 4.14Å; E67-Y71 WeakPolarHBondContact O-CB 3.33Å; E67-Y71 WeakPolarHBondContact O-CD2 3.37Å; E67-Y71 PolarHBondContact O-N 3.43Å; Y71-H73 PolarHBondContact O-N 2.87Å; Y71-Y77 AromaticContact CD2-CE2 3.69Å; Y71-Y77 HydrophobicContact CD2-CE2 3.69Å; Y71-Y77 HydrophobicContact CE2-CD2 4.16Å; Y71-Y77 AromaticContact CE2-CE2 3.53Å; Y71-Y77 HydrophobicContact CE2-CE2 3.53Å |
| 72 | G | 92.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 74.2 | 8.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | R32 L68 | R32-G72 VanDerWaalsContact O-CA 3.24Å; R32-G72 WeakPolarHBondContact O-CA 3.48Å; L68-G72 WeakPolarHBondContact O-CA 3.42Å; L68-G72 PolarHBondContact O-N 2.87Å |
| 73 | H | 97.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -159 | 157.3 | -178.7 | -170.7 | 62.7 | 0 | 0 | 0 | 111.6 | E67 Y71 Y75 S133 F195 | E67-H73 CarbonylContact C-O 3.51Å; Y71-H73 PolarHBondContact O-N 2.87Å; H73-Y75 HydrophobicContact CB-CD2 4.33Å; H73-Y75 HydrophobicContact CB-CE2 3.75Å; H73-Y75 AromaticContact CD2-CD1 3.6Å; H73-Y75 AromaticContact CD2-CE1 3.5Å; H73-Y75 VanDerWaalsContact CD2-CE1 3.5Å; H73-Y75 WeakPolarHBondContact CD2-CE1 3.22Å; H73-Y75 AromaticContact CD2-CE2 3.96Å; H73-Y75 AromaticContact CD2-CG 3.88Å; H73-Y75 AromaticContact CD2-CZ 3.69Å; H73-S133 PolarHBondContact CE1-OG 3.13Å; H73-S133 PolarHBondContact NE2-O 3.41Å; H73-S133 PolarHBondContact NE2-OG 3.26Å; H73-F195 HydrophobicContact CB-CE1 3.92Å; H73-F195 HydrophobicContact CB-CZ 4.41Å; H73-F195 AromaticContact CD2-CE1 3.88Å; H73-F195 AromaticContact CD2-CZ 3.49Å; H73-F195 VanDerWaalsContact CD2-CZ 3.49Å; H73-F195 WeakPolarHBondContact CD2-CZ 3.4Å; H73-F195 AromaticContact CE1-CE1 3.89Å; H73-F195 AromaticContact CE1-CE2 3.56Å; H73-F195 AromaticContact CE1-CZ 3.52Å; H73-F195 PolarHBondContact CE1-O 3.13Å; H73-F195 AromaticContact CG-CE1 3.47Å; H73-F195 VanDerWaalsContact CG-CE1 3.47Å; H73-F195 AromaticContact CG-CZ 3.57Å; H73-F195 AromaticContact ND1-CD1 3.83Å; H73-F195 AromaticContact ND1-CE1 3.52Å; H73-F195 AromaticContact ND1-CZ 3.64Å; H73-F195 PolarHBondContact ND1-O 2.89Å; H73-F195 AromaticContact NE2-CE2 3.67Å; H73-F195 AromaticContact NE2-CZ 3.43Å; H73-F195 WeakPolarHBondContact NE2-CZ 3.44Å |
| 74 | I | 98.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | trans | -103.8 | 95 | 178.5 | -54.4 | 165.9 | 0 | 0 | 0 | 108.5 | A44 L45 A48 F64 L68 M76 N134 | A44-I74 HydrophobicContact CB-CD1 4.27Å; L45-I74 HydrophobicContact CD2-CD1 4.09Å; A48-I74 HydrophobicContact CB-CD1 3.77Å; A48-I74 HydrophobicContact CB-CG2 4.03Å; F64-I74 HydrophobicContact CB-CD1 4.14Å; F64-I74 HydrophobicContact CB-CG1 4.29Å; F64-I74 HydrophobicContact CB-CG2 3.68Å; F64-I74 HydrophobicContact CD1-CG2 3.61Å; F64-I74 HydrophobicContact CD2-CG2 4.2Å; F64-I74 HydrophobicContact CE1-CG2 4.3Å; F64-I74 HydrophobicContact CG-CG2 3.56Å; L68-I74 HydrophobicContact CB-CD1 4.47Å; L68-I74 HydrophobicContact CB-CG1 3.98Å; L68-I74 HydrophobicContact CD1-CG1 4.37Å; I74-M76 HydrophobicContact CG2-CE 4.32Å; I74-M76 HydrophobicContact CG2-CG 3.85Å; I74-N134 WeakPolarHBondContact O-CB 3.49Å | ||
| 75 | Y | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -83.8 | -20.8 | 179.7 | -65.7 | -78.5 | 0 | 0 | 0 | 112.6 | E67 H73 Y77 E121 L122 N134 W135 F195 | E67-Y75 PolarHBondContact OE2-N 2.94Å; H73-Y75 HydrophobicContact CB-CD2 4.33Å; H73-Y75 HydrophobicContact CB-CE2 3.75Å; H73-Y75 AromaticContact CD2-CD1 3.6Å; H73-Y75 AromaticContact CD2-CE1 3.5Å; H73-Y75 VanDerWaalsContact CD2-CE1 3.5Å; H73-Y75 WeakPolarHBondContact CD2-CE1 3.22Å; H73-Y75 AromaticContact CD2-CE2 3.96Å; H73-Y75 AromaticContact CD2-CG 3.88Å; H73-Y75 AromaticContact CD2-CZ 3.69Å; Y75-Y77 AromaticContact CD2-CE2 3.86Å; Y75-Y77 HydrophobicContact CD2-CE2 3.86Å; Y75-Y77 AromaticContact CD2-CZ 3.65Å; Y75-Y77 VanDerWaalsContact CD2-OH 3.25Å; Y75-Y77 WeakPolarHBondContact CD2-OH 3.31Å; Y75-Y77 HydrophobicContact CG-CE1 4.37Å; Y75-Y77 HydrophobicContact CG-CE2 4.24Å; Y75-Y77 AromaticContact CG-CZ 3.87Å; Y75-E121 HydrophobicContact CD1-CB 4Å; Y75-E121 HydrophobicContact CD1-CG 4.05Å; Y75-E121 HydrophobicContact CD2-CG 4.29Å; Y75-E121 HydrophobicContact CE1-CB 3.51Å; Y75-E121 HydrophobicContact CE1-CG 3.63Å; Y75-E121 HydrophobicContact CE2-CG 3.89Å; Y75-E121 HydrophobicContact CG-CG 4.36Å; Y75-L122 HydrophobicContact CD1-CD1 4.36Å; Y75-N134 WeakPolarHBondContact O-CA 3.37Å; Y75-N134 WeakPolarHBondContact O-CB 3.1Å; Y75-W135 PolarHBondContact O-N 3.38Å; Y75-F195 HydrophobicContact CE1-CZ 4.46Å | ||
| 76 | M | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | 62.3 | 52.6 | -177.2 | -45.1 | 175.4 | -177.9 | 0 | 0 | 111.7 | A48 Y51 F52 F64 E67 I74 R78 F79 N134 A136 | A48-M76 HydrophobicContact CB-CE 3.76Å; Y51-M76 HydrophobicContact CD2-CE 3.89Å; Y51-M76 HydrophobicContact CE2-CE 4.2Å; F52-M76 HydrophobicContact CE2-CE 4.31Å; F52-M76 HydrophobicContact CE2-SD 3.88Å; F52-M76 HydrophobicContact CZ-SD 3.87Å; F64-M76 HydrophobicContact CD1-CG 4.33Å; F64-M76 HydrophobicContact CE1-CB 3.95Å; F64-M76 HydrophobicContact CE1-CG 3.7Å; F64-M76 HydrophobicContact CZ-CB 4.34Å; F64-M76 HydrophobicContact CZ-CG 3.86Å; F64-M76 HydrophobicContact CZ-SD 4.2Å; E67-M76 PolarHBondContact OE1-N 3.42Å; E67-M76 PolarHBondContact OE2-N 3.44Å; I74-M76 HydrophobicContact CG2-CE 4.32Å; I74-M76 HydrophobicContact CG2-CG 3.85Å; M76-R78 PolarHBondContact O-N 3.01Å; M76-F79 HydrophobicContact CB-CD2 3.94Å; M76-F79 PolarHBondContact O-N 3.08Å; M76-N134 HydrophobicContact CE-CB 4.11Å; M76-N134 HydrophobicContact CG-CB 3.98Å; M76-N134 HydrophobicContact SD-CB 3.92Å; M76-A136 HydrophobicContact SD-CB 3.39Å; M76-A136 WeakPolarHBondContact SD-CB 3.44Å | ||
| 77 | Y | 98 | Very high | 96 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -55 | -29.5 | -171.6 | -70.2 | -71.1 | 0 | 0 | 0 | 113.6 | R22 E67 Y71 Y75 F79 C80 Q120 E121 | R22-Y77 HydrophobicContact CG-CE1 4.04Å; R22-Y77 HydrophobicContact CG-CE2 4.17Å; R22-Y77 PolarHBondContact NE-OH 2.91Å; R22-Y77 PolarHBondContact NH2-OH 2.74Å; E67-Y77 HydrophobicContact CG-CD2 4.25Å; E67-Y77 VanDerWaalsContact OE1-CD2 3.31Å; E67-Y77 WeakPolarHBondContact OE1-CD2 3.49Å; E67-Y77 PolarHBondContact OE1-N 2.7Å; Y71-Y77 AromaticContact CD2-CE2 3.69Å; Y71-Y77 HydrophobicContact CD2-CE2 3.69Å; Y71-Y77 HydrophobicContact CE2-CD2 4.16Å; Y71-Y77 AromaticContact CE2-CE2 3.53Å; Y71-Y77 HydrophobicContact CE2-CE2 3.53Å; Y75-Y77 AromaticContact CD2-CE2 3.86Å; Y75-Y77 HydrophobicContact CD2-CE2 3.86Å; Y75-Y77 AromaticContact CD2-CZ 3.65Å; Y75-Y77 VanDerWaalsContact CD2-OH 3.25Å; Y75-Y77 WeakPolarHBondContact CD2-OH 3.31Å; Y75-Y77 HydrophobicContact CG-CE1 4.37Å; Y75-Y77 HydrophobicContact CG-CE2 4.24Å; Y75-Y77 AromaticContact CG-CZ 3.87Å; Y77-F79 PolarHBondContact O-N 2.89Å; Y77-F79 VanDerWaalsContact O-N 3.07Å; Y77-C80 WeakPolarHBondContact O-CB 3.4Å; Y77-C80 PolarHBondContact O-N 2.8Å; Y77-Q120 HydrophobicContact CE1-CB 4.12Å; Y77-Q120 WeakPolarHBondContact CE1-O 3.43Å; Y77-E121 WeakPolarHBondContact CE1-OE1 3.45Å; Y77-E121 WeakPolarHBondContact OH-CG 3.4Å; Y77-E121 PolarHBondContact OH-OE1 2.82Å |
| 78 | R | 97.2 | Very high | 96.1 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -47.9 | -33.7 | 171.9 | 171.5 | 177.6 | -62.3 | -101.1 | 9.5 | 113.9 | P17 N19 E63 M76 | P17-R78 HydrophobicContact CG-CG 3.76Å; P17-R78 WeakPolarHBondContact CG-O 3.39Å; P17-R78 WeakPolarHBondContact O-CG 3.41Å; P17-R78 PolarHBondContact O-NH1 2.78Å; N19-R78 HydrophobicContact CB-CB 4.33Å; E63-R78 WeakPolarHBondContact OE1-CB 3.24Å; E63-R78 IonicContact OE1-NE 3.97Å; E63-R78 PolarHBondContact OE1-NE 2.86Å; E63-R78 IonicContact OE2-CZ 3.64Å; E63-R78 VanDerWaalsContact OE2-CZ 3.3Å; E63-R78 IonicContact OE2-NE 3.87Å; E63-R78 PolarHBondContact OE2-NE 2.82Å; E63-R78 IonicContact OE2-NH2 2.71Å; E63-R78 PolarHBondContact OE2-NH2 3.02Å; M76-R78 PolarHBondContact O-N 3.01Å |
| 79 | F | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -95.1 | -1.6 | -174.7 | -61 | -81.2 | 0 | 0 | 0 | 113.9 | L11 P12 L16 P17 F52 L60 F64 M76 Y77 W135 R139 | L11-F79 HydrophobicContact CD2-CD1 4.1Å; L11-F79 HydrophobicContact CD2-CG 4.47Å; P12-F79 HydrophobicContact CG-CD1 4.23Å; L16-F79 HydrophobicContact CD2-CE1 4.29Å; L16-F79 HydrophobicContact CD2-CZ 4.02Å; P17-F79 HydrophobicContact CG-CD1 4.26Å; P17-F79 HydrophobicContact CG-CE1 4.32Å; F52-F79 HydrophobicContact CD1-CE2 4.41Å; F52-F79 AromaticContact CD1-CZ 3.93Å; F52-F79 HydrophobicContact CD1-CZ 3.93Å; F52-F79 HydrophobicContact CE1-CD1 4.39Å; F52-F79 HydrophobicContact CE1-CD2 4.11Å; F52-F79 AromaticContact CE1-CE1 3.71Å; F52-F79 HydrophobicContact CE1-CE1 3.71Å; F52-F79 AromaticContact CE1-CE2 3.38Å; F52-F79 HydrophobicContact CE1-CE2 3.38Å; F52-F79 AromaticContact CE1-CZ 3.14Å; F52-F79 HydrophobicContact CE1-CZ 3.14Å; F52-F79 HydrophobicContact CE2-CE2 4.47Å; F52-F79 AromaticContact CZ-CD2 3.94Å; F52-F79 HydrophobicContact CZ-CD2 3.94Å; F52-F79 HydrophobicContact CZ-CE1 4.48Å; F52-F79 AromaticContact CZ-CE2 3.4Å; F52-F79 HydrophobicContact CZ-CE2 3.4Å; F52-F79 AromaticContact CZ-CZ 3.72Å; F52-F79 HydrophobicContact CZ-CZ 3.72Å; L60-F79 HydrophobicContact CD1-CZ 4.34Å; L60-F79 HydrophobicContact CD2-CE2 4.15Å; L60-F79 HydrophobicContact CD2-CZ 4.26Å; F64-F79 HydrophobicContact CZ-CE2 4.48Å; M76-F79 HydrophobicContact CB-CD2 3.94Å; M76-F79 PolarHBondContact O-N 3.08Å; Y77-F79 PolarHBondContact O-N 2.89Å; Y77-F79 VanDerWaalsContact O-N 3.07Å; F79-W135 HydrophobicContact CB-CB 3.97Å; F79-R139 PolarHBondContact O-NE 2.71Å |
| 80 | C | 96.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 22% | 0.216 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -56.7 | 122.8 | 170.8 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | Y77 W135 | Y77-C80 WeakPolarHBondContact O-CB 3.4Å; Y77-C80 PolarHBondContact O-N 2.8Å; C80-W135 HydrophobicContact CB-CD2 3.86Å; C80-W135 HydrophobicContact CB-CE3 4.46Å; C80-W135 HydrophobicContact CB-CG 4.03Å; C80-W135 HydrophobicContact CB-CZ2 4.29Å; C80-W135 VanDerWaalsContact SG-CZ2 3.56Å |
| 81 | P | 94.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | trans | -71 | 147.4 | -173.7 | 32.2 | -37.7 | 0 | 0 | 0 | 112.1 | L7 V83 M85 W135 F138 R139 | L7-P81 HydrophobicContact CD2-CB 3.76Å; L7-P81 HydrophobicContact CD2-CG 4.16Å; P81-V83 HydrophobicContact CB-CG1 4.01Å; P81-V83 HydrophobicContact CG-CG1 4.22Å; P81-V83 PolarHBondContact O-N 2.83Å; P81-M85 HydrophobicContact CG-CE 3.81Å; P81-W135 VanDerWaalsContact CD-CZ3 3.44Å; P81-W135 HydrophobicContact CG-CZ3 4.18Å; P81-F138 HydrophobicContact CG-CE1 3.8Å; P81-F138 HydrophobicContact CG-CZ 4.37Å; P81-R139 VanDerWaalsContact CA-NH2 3.32Å | ||
| 82 | A | 91.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 36 Ų | 36 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -75.8 | -13.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 83 | V | 93.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -63.7 | 139.1 | 176.4 | 76.4 | 0 | 0 | 0 | 0 | 109.2 | S2 L4 L7 P81 M85 M108 | S2-V83 WeakPolarHBondContact OG-CA 3.48Å; S2-V83 PolarHBondContact OG-N 2.68Å; S2-V83 VanDerWaalsContact OG-N 3.11Å; L4-V83 HydrophobicContact CD2-CG2 4.27Å; L7-V83 HydrophobicContact CD1-CG1 4.1Å; L7-V83 HydrophobicContact CD2-CG1 3.89Å; L7-V83 HydrophobicContact CG-CG1 4.22Å; P81-V83 HydrophobicContact CB-CG1 4.01Å; P81-V83 HydrophobicContact CG-CG1 4.22Å; P81-V83 PolarHBondContact O-N 2.83Å; V83-M85 PolarHBondContact O-N 2.88Å; V83-M108 HydrophobicContact CG1-CE 4.21Å |
| 84 | R | 94.9 | Very high | 96.8 | Very high | 182 Ų | 182 | 38.6 Ų | 38.6 | 69% | 0.687 | 20% | 0.195 | S | C | * | . | trans | -60.3 | 115.5 | 174.7 | 178.9 | 177.6 | 179.3 | -178.4 | 0.4 | 108.4 | R86 Y88 | R84-R86 HydrophobicContact CG-CG 4.48Å; R84-R86 PolarHBondContact O-N 2.96Å; R84-Y88 WeakPolarHBondContact O-CE2 3.27Å; R84-Y88 PolarHBondContact O-OH 3.27Å | ||
| 85 | M | 97 | Very high | 96.7 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | trans | -73.3 | 111.6 | 180 | -169.3 | 61 | 71.2 | 0 | 0 | 109.7 | P81 V83 M108 L111 D112 P113 W135 F138 | P81-M85 HydrophobicContact CG-CE 3.81Å; V83-M85 PolarHBondContact O-N 2.88Å; M85-M108 HydrophobicContact SD-CB 3.81Å; M85-M108 HydrophobicContact SD-CE 3.83Å; M85-M108 HydrophobicContact SD-CG 3.75Å; M85-L111 HydrophobicContact CE-CB 4.43Å; M85-L111 HydrophobicContact CE-CD1 4.35Å; M85-L111 VanDerWaalsContact CG-C 3.43Å; M85-L111 HydrophobicContact CG-CB 3.5Å; M85-L111 WeakPolarHBondContact CG-O 3.35Å; M85-L111 HydrophobicContact SD-CB 3.9Å; M85-D112 WeakPolarHBondContact O-CA 3.37Å; M85-P113 VanDerWaalsContact O-CD 3.27Å; M85-P113 WeakPolarHBondContact O-CD 3.28Å; M85-W135 HydrophobicContact CE-CH2 3.94Å; M85-W135 HydrophobicContact CE-CZ3 3.85Å; M85-F138 HydrophobicContact CE-CE1 4.18Å; M85-F138 HydrophobicContact CE-CE2 3.76Å; M85-F138 HydrophobicContact CE-CZ 3.5Å; M85-F138 HydrophobicContact SD-CE2 4.33Å; M85-F138 HydrophobicContact SD-CZ 4.31Å | ||
| 86 | R | 97.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 48 Ų | 48 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -168.1 | 166.2 | 176.5 | 62.5 | 179.1 | -173.5 | 98.1 | -10 | 109.9 | R84 Y88 M108 D112 | R84-R86 HydrophobicContact CG-CG 4.48Å; R84-R86 PolarHBondContact O-N 2.96Å; R86-Y88 HydrophobicContact CG-CD2 3.97Å; R86-Y88 HydrophobicContact CG-CE1 4.29Å; R86-Y88 HydrophobicContact CG-CE2 3.39Å; R86-Y88 PolarHBondContact NE-OH 3.39Å; R86-Y88 WeakPolarHBondContact O-CD2 3.4Å; R86-Y88 VanDerWaalsContact O-CE2 3.28Å; R86-Y88 WeakPolarHBondContact O-CE2 3.44Å; R86-M108 VanDerWaalsContact O-CB 3.24Å; R86-M108 WeakPolarHBondContact O-CB 3.36Å; R86-D112 WeakPolarHBondContact CA-OD2 3.3Å; R86-D112 WeakPolarHBondContact CB-OD2 3.34Å |
| 87 | A | 98.2 | Very high | 96.7 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | trans | -66.2 | 135.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | L105 N109 | A87-L105 HydrophobicContact CB-CD2 3.88Å; A87-L105 HydrophobicContact CB-CG 4.01Å; A87-N109 HydrophobicContact CB-CB 4.14Å | ||
| 88 | Y | 98.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | trans | -111.9 | 162.6 | 169.5 | -66.8 | -100.1 | 0 | 0 | 0 | 109.3 | L4 R84 R86 Y93 L105 M108 | L4-Y88 HydrophobicContact CD1-CD1 4.27Å; L4-Y88 HydrophobicContact CD1-CD2 4.12Å; L4-Y88 HydrophobicContact CD1-CG 3.86Å; L4-Y88 HydrophobicContact CD2-CD2 3.82Å; L4-Y88 HydrophobicContact CD2-CE2 3.88Å; L4-Y88 HydrophobicContact CD2-CG 4.36Å; L4-Y88 HydrophobicContact CG-CD2 4.46Å; R84-Y88 WeakPolarHBondContact O-CE2 3.27Å; R84-Y88 PolarHBondContact O-OH 3.27Å; R86-Y88 HydrophobicContact CG-CD2 3.97Å; R86-Y88 HydrophobicContact CG-CE1 4.29Å; R86-Y88 HydrophobicContact CG-CE2 3.39Å; R86-Y88 PolarHBondContact NE-OH 3.39Å; R86-Y88 WeakPolarHBondContact O-CD2 3.4Å; R86-Y88 VanDerWaalsContact O-CE2 3.28Å; R86-Y88 WeakPolarHBondContact O-CE2 3.44Å; Y88-Y93 PolarHBondContact N-OH 2.89Å; Y88-Y93 VanDerWaalsContact N-OH 3.07Å; Y88-Y93 WeakPolarHBondContact O-CE2 3.38Å; Y88-L105 WeakPolarHBondContact O-CD1 3.45Å; Y88-M108 HydrophobicContact CD2-CE 4.05Å; Y88-M108 HydrophobicContact CD2-SD 4.45Å; Y88-M108 HydrophobicContact CE2-CE 3.7Å | ||
| 89 | P | 98.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 25% | 0.253 | 26% | 0.256 | S | S | . | . | trans | -54.6 | 139.1 | 169 | -24.9 | 33.7 | 0 | 0 | 0 | 111.3 | D91 Q92 T454 S455 | P89-D91 PolarHBondContact O-N 3.31Å; P89-D91 VanDerWaalsContact O-N 3.14Å; P89-Q92 HydrophobicContact CB-CG 4.29Å; P89-Q92 WeakPolarHBondContact O-CB 3.22Å; P89-Q92 PolarHBondContact O-N 3.17Å; P89-T454 CarbonylContact C-O 3.32Å; P89-T454 WeakPolarHBondContact CA-O 3.38Å; P89-S455 WeakPolarHBondContact CB-O 3.27Å; P89-S455 WeakPolarHBondContact CG-O 3.21Å | ||
| 90 | I | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -54.6 | -37.2 | -171 | -166.6 | 167.1 | 0 | 0 | 0 | 114 | Q92 Y93 A101 A102 T454 A536 | I90-Q92 PolarHBondContact O-N 3.42Å; I90-Y93 PolarHBondContact O-N 2.92Å; I90-Y93 VanDerWaalsContact O-N 3.14Å; I90-A101 HydrophobicContact CD1-CB 4.37Å; I90-A101 HydrophobicContact CG1-CB 3.74Å; I90-A102 HydrophobicContact CD1-CB 4.02Å; I90-T454 HydrophobicContact CD1-CG2 4.24Å; I90-T454 WeakPolarHBondContact CG2-OG1 3.03Å; I90-T454 PolarHBondContact N-O 2.86Å; I90-A536 HydrophobicContact CG2-CB 4.27Å |
| 91 | D | 97 | Very high | 96.9 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -71.8 | -8.7 | -177.9 | -61.5 | -41.1 | 0 | 0 | 0 | 113.4 | P89 | P89-D91 PolarHBondContact O-N 3.31Å; P89-D91 VanDerWaalsContact O-N 3.14Å |
| 92 | Q | 97.1 | Very high | 97.1 | Very high | 101 Ų | 101 | 51.6 Ų | 51.6 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -83.3 | -16 | 173.9 | -58.2 | -173 | 12.7 | 0 | 0 | 112.7 | L4 P89 I90 P94 | L4-Q92 HydrophobicContact CD1-CB 3.79Å; L4-Q92 WeakPolarHBondContact CD1-O 3.21Å; P89-Q92 HydrophobicContact CB-CG 4.29Å; P89-Q92 WeakPolarHBondContact O-CB 3.22Å; P89-Q92 PolarHBondContact O-N 3.17Å; I90-Q92 PolarHBondContact O-N 3.42Å; Q92-P94 WeakPolarHBondContact O-CD 3.34Å |
| 93 | Y | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -80.9 | 120.5 | 178 | -68.6 | -88.3 | 0 | 0 | 0 | 110 | L4 Y88 I90 C95 M104 L105 M108 | L4-Y93 HydrophobicContact CD1-CD1 4.37Å; L4-Y93 HydrophobicContact CD1-CE1 4.33Å; L4-Y93 HydrophobicContact CD2-CE1 4.47Å; Y88-Y93 PolarHBondContact N-OH 2.89Å; Y88-Y93 VanDerWaalsContact N-OH 3.07Å; Y88-Y93 WeakPolarHBondContact O-CE2 3.38Å; I90-Y93 PolarHBondContact O-N 2.92Å; I90-Y93 VanDerWaalsContact O-N 3.14Å; Y93-C95 PolarHBondContact O-N 3.43Å; Y93-M104 HydrophobicContact CD1-CB 3.52Å; Y93-M104 HydrophobicContact CD1-CE 4Å; Y93-M104 HydrophobicContact CD1-CG 4.46Å; Y93-M104 HydrophobicContact CD1-SD 4.24Å; Y93-M104 HydrophobicContact CE1-CB 3.7Å; Y93-M104 HydrophobicContact CG-CB 4.31Å; Y93-L105 HydrophobicContact CD2-CB 4.46Å; Y93-L105 HydrophobicContact CE2-CB 3.73Å; Y93-L105 HydrophobicContact CE2-CD1 4.44Å; Y93-L105 HydrophobicContact CE2-CG 4.22Å; Y93-L105 WeakPolarHBondContact OH-CA 3.49Å; Y93-M108 HydrophobicContact CE1-SD 3.54Å; Y93-M108 VanDerWaalsContact CE1-SD 3.54Å; Y93-M108 PolarHBondContact OH-SD 3.33Å |
| 94 | P | 95.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | trans | -81.7 | 64 | -177.1 | 36 | -38.6 | 0 | 0 | 0 | 111 | K5 C8 Q92 | K5-P94 HydrophobicContact CG-CB 4.3Å; K5-P94 HydrophobicContact CG-CG 4.02Å; C8-P94 WeakPolarHBondContact SG-CG 3.45Å; Q92-P94 WeakPolarHBondContact O-CD 3.34Å | ||
| 95 | C | 97.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | trans | -101.1 | 152.1 | 178 | -62 | 0 | 0 | 0 | 0 | 111.5 | Y93 T97 A100 A101 M104 S146 | Y93-C95 PolarHBondContact O-N 3.43Å; C95-T97 VanDerWaalsContact C-N 3.32Å; C95-T97 WeakPolarHBondContact CB-O 3.4Å; C95-A100 HydrophobicContact CB-CB 4.4Å; C95-A101 HydrophobicContact CB-CB 3.97Å; C95-A101 VanDerWaalsContact SG-CA 3.55Å; C95-M104 PolarHBondContact SG-SD 3.02Å; C95-S146 WeakPolarHBondContact CA-O 3.24Å | ||
| 96 | R | 97.7 | Very high | 98 | Very high | 178 Ų | 178 | 39.2 Ų | 39.2 | 67% | 0.672 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -72.1 | -25.2 | 170 | -63.1 | -174 | -176.4 | 173.9 | -7.5 | 113.6 | S146 E147 M148 | R96-S146 PolarHBondContact N-O 3.26Å; R96-S146 VanDerWaalsContact N-O 3.11Å; R96-E147 VanDerWaalsContact CD-O 3.26Å; R96-E147 WeakPolarHBondContact CD-O 3.45Å; R96-E147 PolarHBondContact NE-O 3.4Å; R96-E147 PolarHBondContact NH1-O 2.78Å; R96-E147 VanDerWaalsContact NH1-O 3.12Å; R96-M148 WeakPolarHBondContact CB-O 3.2Å |
| 97 | T | 97.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -125.7 | 143.6 | 178.8 | 73.6 | 0 | 0 | 0 | 0 | 111.3 | C95 Q99 A100 A101 E150 | C95-T97 VanDerWaalsContact C-N 3.32Å; C95-T97 WeakPolarHBondContact CB-O 3.4Å; T97-Q99 VanDerWaalsContact C-N 3.29Å; T97-Q99 PolarHBondContact O-N 3.48Å; T97-A100 PolarHBondContact O-N 3.05Å; T97-A100 VanDerWaalsContact OG1-CB 3.25Å; T97-A100 WeakPolarHBondContact OG1-CB 3.45Å; T97-A100 PolarHBondContact OG1-N 2.87Å; T97-A101 PolarHBondContact O-N 3.34Å; T97-A101 VanDerWaalsContact O-N 3.12Å; T97-E150 HydrophobicContact CG2-CG 3.67Å |
| 98 | R | 97.8 | Very high | 98.1 | Very high | 136 Ų | 136 | 34.7 Ų | 34.7 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.4 | -33.3 | 175.8 | -72.1 | -177.5 | 168.7 | -174 | -5.6 | 112.5 | A100 A101 A102 L607 | R98-A100 VanDerWaalsContact C-N 3.33Å; R98-A100 PolarHBondContact O-N 2.91Å; R98-A101 PolarHBondContact O-N 2.7Å; R98-A102 WeakPolarHBondContact O-CB 3.45Å; R98-A102 PolarHBondContact O-N 2.92Å; R98-L607 HydrophobicContact CB-CD2 4.05Å |
| 99 | Q | 98.4 | Very high | 98.1 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.3 | -71.1 | -175.3 | -43.5 | 0 | 0 | 112.2 | T97 A102 M103 R173 T584 L607 R617 | T97-Q99 VanDerWaalsContact C-N 3.29Å; T97-Q99 PolarHBondContact O-N 3.48Å; Q99-A102 PolarHBondContact O-N 3.46Å; Q99-M103 PolarHBondContact O-N 3.35Å; Q99-M103 VanDerWaalsContact O-N 3.15Å; Q99-R173 HydrophobicContact CB-CG 3.66Å; Q99-R173 HydrophobicContact CG-CG 4.42Å; Q99-T584 HydrophobicContact CB-CG2 3.59Å; Q99-T584 HydrophobicContact CG-CG2 3.7Å; Q99-T584 PolarHBondContact NE2-OG1 3.11Å; Q99-L607 HydrophobicContact CB-CD2 4.45Å; Q99-L607 HydrophobicContact CG-CB 4.32Å; Q99-L607 HydrophobicContact CG-CD2 3.88Å; Q99-R617 VanDerWaalsContact NE2-NH1 3.15Å |
| 100 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.6 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C95 T97 R98 A102 M103 M104 L145 M148 | C95-A100 HydrophobicContact CB-CB 4.4Å; T97-A100 PolarHBondContact O-N 3.05Å; T97-A100 VanDerWaalsContact OG1-CB 3.25Å; T97-A100 WeakPolarHBondContact OG1-CB 3.45Å; T97-A100 PolarHBondContact OG1-N 2.87Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-A100 PolarHBondContact O-N 2.91Å; A100-A102 VanDerWaalsContact C-N 3.32Å; A100-A102 PolarHBondContact O-N 2.85Å; A100-M103 HydrophobicContact CB-CE 4.37Å; A100-M103 PolarHBondContact O-N 2.97Å; A100-M104 PolarHBondContact O-N 3.04Å; A100-L145 HydrophobicContact CB-CB 4.3Å; A100-L145 HydrophobicContact CB-CD2 4.26Å; A100-L145 WeakPolarHBondContact CB-O 3.34Å; A100-M148 HydrophobicContact CB-CG 3.86Å; A100-M148 HydrophobicContact CB-SD 3.8Å |
| 101 | A | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | I90 C95 T97 R98 M103 M104 L105 | I90-A101 HydrophobicContact CD1-CB 4.37Å; I90-A101 HydrophobicContact CG1-CB 3.74Å; C95-A101 HydrophobicContact CB-CB 3.97Å; C95-A101 VanDerWaalsContact SG-CA 3.55Å; T97-A101 PolarHBondContact O-N 3.34Å; T97-A101 VanDerWaalsContact O-N 3.12Å; R98-A101 PolarHBondContact O-N 2.7Å; A101-M103 PolarHBondContact O-N 2.69Å; A101-M104 PolarHBondContact O-N 3.04Å; A101-L105 PolarHBondContact O-N 3.35Å |
| 102 | A | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I90 R98 Q99 A100 M104 L105 M106 V539 L607 | I90-A102 HydrophobicContact CD1-CB 4.02Å; R98-A102 WeakPolarHBondContact O-CB 3.45Å; R98-A102 PolarHBondContact O-N 2.92Å; Q99-A102 PolarHBondContact O-N 3.46Å; A100-A102 VanDerWaalsContact C-N 3.32Å; A100-A102 PolarHBondContact O-N 2.85Å; A102-M104 PolarHBondContact O-N 3.37Å; A102-L105 WeakPolarHBondContact O-CB 3.36Å; A102-L105 PolarHBondContact O-N 3.41Å; A102-M106 WeakPolarHBondContact O-CG 3.36Å; A102-M106 PolarHBondContact O-N 3.09Å; A102-V539 HydrophobicContact CB-CG2 3.81Å; A102-L607 HydrophobicContact CB-CD1 3.78Å; A102-L607 HydrophobicContact CB-CD2 4.42Å |
| 103 | M | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.1 | -71.6 | -173.3 | -68.4 | 0 | 0 | 112.5 | Q99 A100 A101 L105 M106 I107 L145 M148 R173 A174 W585 | Q99-M103 PolarHBondContact O-N 3.35Å; Q99-M103 VanDerWaalsContact O-N 3.15Å; A100-M103 HydrophobicContact CB-CE 4.37Å; A100-M103 PolarHBondContact O-N 2.97Å; A101-M103 PolarHBondContact O-N 2.69Å; M103-L105 VanDerWaalsContact C-N 3.34Å; M103-L105 PolarHBondContact O-N 3.5Å; M103-M106 PolarHBondContact O-N 3.4Å; M103-I107 WeakPolarHBondContact O-CB 3.26Å; M103-I107 VanDerWaalsContact O-CG1 3.28Å; M103-I107 WeakPolarHBondContact O-CG1 3.33Å; M103-I107 PolarHBondContact O-N 3.46Å; M103-L145 HydrophobicContact CB-CD1 4.07Å; M103-L145 HydrophobicContact CB-CD2 4.43Å; M103-L145 HydrophobicContact CE-CD2 3.41Å; M103-L145 VanDerWaalsContact CE-CD2 3.41Å; M103-L145 HydrophobicContact SD-CD2 4.38Å; M103-M148 HydrophobicContact CE-SD 4.36Å; M103-R173 HydrophobicContact CE-CB 3.33Å; M103-R173 HydrophobicContact CE-CG 4.36Å; M103-R173 HydrophobicContact SD-CB 4.36Å; M103-A174 HydrophobicContact CE-CB 4.37Å; M103-A174 HydrophobicContact SD-CB 3.72Å; M103-W585 HydrophobicContact CG-CD2 4.02Å; M103-W585 HydrophobicContact CG-CE3 3.47Å; M103-W585 VanDerWaalsContact CG-CE3 3.47Å; M103-W585 HydrophobicContact CG-CH2 4.43Å; M103-W585 HydrophobicContact CG-CZ3 3.72Å; M103-W585 HydrophobicContact SD-CB 3.93Å; M103-W585 HydrophobicContact SD-CD2 4.19Å; M103-W585 HydrophobicContact SD-CE3 3.93Å; M103-W585 HydrophobicContact SD-CG 4.24Å |
| 104 | M | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.7 | -73.6 | -177.9 | 72.4 | 0 | 0 | 111.9 | L7 Y93 C95 A100 A101 A102 M106 I107 M108 M142 L145 | L7-M104 HydrophobicContact CB-CE 4.45Å; Y93-M104 HydrophobicContact CD1-CB 3.52Å; Y93-M104 HydrophobicContact CD1-CE 4Å; Y93-M104 HydrophobicContact CD1-CG 4.46Å; Y93-M104 HydrophobicContact CD1-SD 4.24Å; Y93-M104 HydrophobicContact CE1-CB 3.7Å; Y93-M104 HydrophobicContact CG-CB 4.31Å; C95-M104 PolarHBondContact SG-SD 3.02Å; A100-M104 PolarHBondContact O-N 3.04Å; A101-M104 PolarHBondContact O-N 3.04Å; A102-M104 PolarHBondContact O-N 3.37Å; M104-M106 VanDerWaalsContact C-N 3.34Å; M104-M106 PolarHBondContact O-N 3.36Å; M104-I107 PolarHBondContact O-N 3.11Å; M104-M108 VanDerWaalsContact O-CG 3.31Å; M104-M108 WeakPolarHBondContact O-CG 3.45Å; M104-M108 PolarHBondContact O-N 3.47Å; M104-M142 HydrophobicContact CB-CE 3.87Å; M104-M142 HydrophobicContact CB-SD 4.32Å; M104-M142 HydrophobicContact CE-CB 4.07Å; M104-M142 HydrophobicContact CE-CE 3.37Å; M104-M142 HydrophobicContact CE-CG 4.49Å; M104-M142 HydrophobicContact CE-SD 4.01Å; M104-M142 HydrophobicContact CG-CE 3.92Å; M104-M142 HydrophobicContact CG-SD 3.88Å; M104-M142 HydrophobicContact SD-CE 4.46Å; M104-L145 HydrophobicContact CG-CB 3.73Å; M104-L145 HydrophobicContact CG-CD1 3.65Å; M104-L145 HydrophobicContact CG-CG 4.36Å; M104-L145 HydrophobicContact SD-CB 3.98Å |
| 105 | L | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 173.3 | -177.5 | 165.1 | 0 | 0 | 0 | 111.2 | A87 Y88 Y93 A101 A102 M103 M108 N109 V452 T454 | A87-L105 HydrophobicContact CB-CD2 3.88Å; A87-L105 HydrophobicContact CB-CG 4.01Å; Y88-L105 WeakPolarHBondContact O-CD1 3.45Å; Y93-L105 HydrophobicContact CD2-CB 4.46Å; Y93-L105 HydrophobicContact CE2-CB 3.73Å; Y93-L105 HydrophobicContact CE2-CD1 4.44Å; Y93-L105 HydrophobicContact CE2-CG 4.22Å; Y93-L105 WeakPolarHBondContact OH-CA 3.49Å; A101-L105 PolarHBondContact O-N 3.35Å; A102-L105 WeakPolarHBondContact O-CB 3.36Å; A102-L105 PolarHBondContact O-N 3.41Å; M103-L105 VanDerWaalsContact C-N 3.34Å; M103-L105 PolarHBondContact O-N 3.5Å; L105-M108 PolarHBondContact O-N 3.37Å; L105-N109 WeakPolarHBondContact O-CB 3.43Å; L105-N109 PolarHBondContact O-N 3.01Å; L105-V452 HydrophobicContact CD2-CG1 4.25Å; L105-T454 HydrophobicContact CD1-CG2 4.26Å |
| 106 | M | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.1 | -39.1 | -176.8 | -64.9 | -62.6 | -63.4 | 0 | 0 | 113 | A102 M103 M104 N109 N110 Y210 C211 V452 V539 W585 | A102-M106 WeakPolarHBondContact O-CG 3.36Å; A102-M106 PolarHBondContact O-N 3.09Å; M103-M106 PolarHBondContact O-N 3.4Å; M104-M106 VanDerWaalsContact C-N 3.34Å; M104-M106 PolarHBondContact O-N 3.36Å; M106-N109 WeakPolarHBondContact O-CB 3.34Å; M106-N109 PolarHBondContact O-N 3.22Å; M106-N110 PolarHBondContact O-N 2.99Å; M106-N110 VanDerWaalsContact O-N 3.1Å; M106-Y210 WeakPolarHBondContact CB-O 3.36Å; M106-Y210 WeakPolarHBondContact CE-O 3.14Å; M106-C211 HydrophobicContact CE-CB 4.03Å; M106-V452 HydrophobicContact CE-CG2 3.77Å; M106-V452 HydrophobicContact SD-CB 3.89Å; M106-V452 HydrophobicContact SD-CG1 3.96Å; M106-V452 HydrophobicContact SD-CG2 3.74Å; M106-V539 HydrophobicContact CE-CG1 4.42Å; M106-V539 HydrophobicContact CG-CG1 4.46Å; M106-V539 HydrophobicContact CG-CG2 4.5Å; M106-V539 HydrophobicContact SD-CB 4.42Å; M106-V539 HydrophobicContact SD-CG1 4.25Å; M106-W585 HydrophobicContact CG-CH2 4.08Å; M106-W585 HydrophobicContact CG-CZ2 4.47Å |
| 107 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 173.2 | -73.4 | 163 | 0 | 0 | 0 | 110.5 | M103 M104 N109 N110 L111 V131 F132 F138 V141 M142 L145 Y210 | M103-I107 WeakPolarHBondContact O-CB 3.26Å; M103-I107 VanDerWaalsContact O-CG1 3.28Å; M103-I107 WeakPolarHBondContact O-CG1 3.33Å; M103-I107 PolarHBondContact O-N 3.46Å; M104-I107 PolarHBondContact O-N 3.11Å; I107-N109 VanDerWaalsContact C-N 3.29Å; I107-N109 PolarHBondContact O-N 3.41Å; I107-N110 PolarHBondContact O-N 3.44Å; I107-L111 HydrophobicContact CG2-CD1 4.5Å; I107-L111 PolarHBondContact O-N 3.1Å; I107-V131 HydrophobicContact CG2-CG1 4.25Å; I107-F132 HydrophobicContact CD1-CZ 4.2Å; I107-F132 HydrophobicContact CG1-CZ 4.43Å; I107-F132 HydrophobicContact CG2-CE2 3.68Å; I107-F132 HydrophobicContact CG2-CZ 4.04Å; I107-F138 HydrophobicContact CG2-CD2 4.22Å; I107-F138 HydrophobicContact CG2-CE2 4Å; I107-V141 HydrophobicContact CD1-CG1 3.83Å; I107-M142 HydrophobicContact CG2-SD 4.26Å; I107-L145 HydrophobicContact CD1-CD1 3.65Å; I107-Y210 HydrophobicContact CD1-CD2 3.95Å; I107-Y210 HydrophobicContact CD1-CE2 4.05Å; I107-Y210 HydrophobicContact CD1-CG 4.25Å; I107-Y210 HydrophobicContact CG1-CD1 3.71Å; I107-Y210 HydrophobicContact CG1-CD2 3.64Å; I107-Y210 HydrophobicContact CG1-CE1 4.18Å; I107-Y210 HydrophobicContact CG1-CE2 4.1Å; I107-Y210 HydrophobicContact CG1-CG 3.42Å; I107-Y210 VanDerWaalsContact CG1-CG 3.42Å |
| 108 | M | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -31 | -179.7 | -67.3 | -174.7 | 73.2 | 0 | 0 | 112.4 | L4 L7 V83 M85 R86 Y88 Y93 M104 L105 L111 D112 M142 | L4-M108 HydrophobicContact CD2-CE 3.89Å; L4-M108 HydrophobicContact CD2-SD 4Å; L7-M108 HydrophobicContact CD1-CE 3.91Å; L7-M108 HydrophobicContact CD1-SD 3.75Å; V83-M108 HydrophobicContact CG1-CE 4.21Å; M85-M108 HydrophobicContact SD-CB 3.81Å; M85-M108 HydrophobicContact SD-CE 3.83Å; M85-M108 HydrophobicContact SD-CG 3.75Å; R86-M108 VanDerWaalsContact O-CB 3.24Å; R86-M108 WeakPolarHBondContact O-CB 3.36Å; Y88-M108 HydrophobicContact CD2-CE 4.05Å; Y88-M108 HydrophobicContact CD2-SD 4.45Å; Y88-M108 HydrophobicContact CE2-CE 3.7Å; Y93-M108 HydrophobicContact CE1-SD 3.54Å; Y93-M108 VanDerWaalsContact CE1-SD 3.54Å; Y93-M108 PolarHBondContact OH-SD 3.33Å; M104-M108 VanDerWaalsContact O-CG 3.31Å; M104-M108 WeakPolarHBondContact O-CG 3.45Å; M104-M108 PolarHBondContact O-N 3.47Å; L105-M108 PolarHBondContact O-N 3.37Å; M108-L111 CarbonylContact O-C 3.4Å; M108-L111 PolarHBondContact O-N 3.08Å; M108-D112 PolarHBondContact O-N 3.24Å; M108-M142 HydrophobicContact CG-CE 3.59Å; M108-M142 HydrophobicContact SD-CE 3.72Å |
| 109 | N | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 171.2 | -175.9 | 75.8 | 0 | 0 | 0 | 111.9 | A87 L105 M106 I107 L111 D112 V115 Y212 S506 | A87-N109 HydrophobicContact CB-CB 4.14Å; L105-N109 WeakPolarHBondContact O-CB 3.43Å; L105-N109 PolarHBondContact O-N 3.01Å; M106-N109 WeakPolarHBondContact O-CB 3.34Å; M106-N109 PolarHBondContact O-N 3.22Å; I107-N109 VanDerWaalsContact C-N 3.29Å; I107-N109 PolarHBondContact O-N 3.41Å; N109-L111 PolarHBondContact O-N 3.47Å; N109-L111 VanDerWaalsContact O-N 3.15Å; N109-D112 WeakPolarHBondContact O-CB 3.31Å; N109-D112 PolarHBondContact O-N 2.9Å; N109-D112 VanDerWaalsContact O-N 3.14Å; N109-V115 WeakPolarHBondContact O-CB 3.35Å; N109-Y212 PolarHBondContact ND2-O 3.48Å; N109-S506 VanDerWaalsContact CG-OG 3.27Å; N109-S506 PolarHBondContact ND2-OG 3.49Å; N109-S506 VanDerWaalsContact OD1-CB 3.25Å; N109-S506 WeakPolarHBondContact OD1-CB 3.44Å; N109-S506 PolarHBondContact OD1-N 3.48Å; N109-S506 PolarHBondContact OD1-OG 3.44Å |
| 110 | N | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -20.8 | 178.7 | -88.9 | 29.3 | 0 | 0 | 0 | 113.6 | M106 I107 A116 T124 V131 T206 A207 Y212 | M106-N110 PolarHBondContact O-N 2.99Å; M106-N110 VanDerWaalsContact O-N 3.1Å; I107-N110 PolarHBondContact O-N 3.44Å; N110-A116 WeakPolarHBondContact O-CB 3.37Å; N110-T124 HydrophobicContact CB-CG2 4.37Å; N110-T124 WeakPolarHBondContact O-CG2 3.49Å; N110-T124 PolarHBondContact O-OG1 3.04Å; N110-V131 HydrophobicContact CB-CG2 3.75Å; N110-T206 PolarHBondContact ND2-O 2.99Å; N110-A207 PolarHBondContact ND2-O 3.43Å; N110-Y212 WeakPolarHBondContact OD1-CA 3.33Å; N110-Y212 WeakPolarHBondContact OD1-CB 3.39Å; N110-Y212 PolarHBondContact OD1-N 3.34Å; N110-Y212 PolarHBondContact OD1-O 3.07Å |
| 111 | L | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 0.8 | 179.7 | -66.2 | 176.8 | 0 | 0 | 0 | 113.4 | M85 I107 M108 N109 L122 V131 W135 F138 | M85-L111 HydrophobicContact CE-CB 4.43Å; M85-L111 HydrophobicContact CE-CD1 4.35Å; M85-L111 VanDerWaalsContact CG-C 3.43Å; M85-L111 HydrophobicContact CG-CB 3.5Å; M85-L111 WeakPolarHBondContact CG-O 3.35Å; M85-L111 HydrophobicContact SD-CB 3.9Å; I107-L111 HydrophobicContact CG2-CD1 4.5Å; I107-L111 PolarHBondContact O-N 3.1Å; M108-L111 CarbonylContact O-C 3.4Å; M108-L111 PolarHBondContact O-N 3.08Å; N109-L111 PolarHBondContact O-N 3.47Å; N109-L111 VanDerWaalsContact O-N 3.15Å; L111-L122 HydrophobicContact CD2-CB 3.96Å; L111-L122 HydrophobicContact CD2-CG 4.4Å; L111-V131 HydrophobicContact CD1-CB 4.5Å; L111-V131 HydrophobicContact CD1-CG1 4.38Å; L111-V131 HydrophobicContact CD2-CB 3.91Å; L111-V131 HydrophobicContact CD2-CG2 3.52Å; L111-V131 HydrophobicContact CG-CB 4.21Å; L111-V131 HydrophobicContact CG-CG1 4.34Å; L111-V131 HydrophobicContact CG-CG2 3.88Å; L111-W135 HydrophobicContact CD1-CH2 4.28Å; L111-W135 HydrophobicContact CD1-CZ3 4.35Å; L111-F138 HydrophobicContact CD1-CD2 3.62Å; L111-F138 HydrophobicContact CD1-CE2 3.78Å |
| 112 | D | 96.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 14.2 Ų | 14.2 | 8% | 0.08 | 9% | 0.086 | C | C | . | . | trans | -60.2 | 127.6 | 176.9 | -172.6 | -36.3 | 0 | 0 | 0 | 109.4 | M85 R86 M108 N109 A114 V115 A116 | M85-D112 WeakPolarHBondContact O-CA 3.37Å; R86-D112 WeakPolarHBondContact CA-OD2 3.3Å; R86-D112 WeakPolarHBondContact CB-OD2 3.34Å; M108-D112 PolarHBondContact O-N 3.24Å; N109-D112 WeakPolarHBondContact O-CB 3.31Å; N109-D112 PolarHBondContact O-N 2.9Å; N109-D112 VanDerWaalsContact O-N 3.14Å; D112-A114 PolarHBondContact O-N 3.19Å; D112-A114 WeakPolarHBondContact OD1-CB 3.4Å; D112-A114 PolarHBondContact OD1-N 2.82Å; D112-V115 HydrophobicContact CB-CB 4.04Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 CarbonylContact O-C 3.59Å; D112-V115 WeakPolarHBondContact O-CA 3.3Å; D112-V115 PolarHBondContact O-N 3.47Å; D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 2.92Å | ||
| 113 | P | 93.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 14.2 Ų | 14.2 | 45% | 0.448 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -21.5 | 177.2 | -26.9 | 35.6 | 0 | 0 | 0 | 114.9 | M85 P119 | M85-P113 VanDerWaalsContact O-CD 3.27Å; M85-P113 WeakPolarHBondContact O-CD 3.28Å; P113-P119 HydrophobicContact CB-CG 4.18Å; P113-P119 HydrophobicContact CG-CB 4.3Å; P113-P119 HydrophobicContact CG-CG 4.34Å |
| 114 | A | 90.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 14.1 Ų | 14.1 | 50% | 0.504 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -25.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | D112 V504 | D112-A114 PolarHBondContact O-N 3.19Å; D112-A114 WeakPolarHBondContact OD1-CB 3.4Å; D112-A114 PolarHBondContact OD1-N 2.82Å; A114-V504 HydrophobicContact CB-CG1 3.86Å; A114-V504 VanDerWaalsContact O-CG1 3.24Å; A114-V504 WeakPolarHBondContact O-CG1 3.48Å |
| 115 | V | 91.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 14.3 Ų | 14.3 | 9% | 0.091 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -49.5 | -174.7 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | N109 D112 Y212 V504 | N109-V115 WeakPolarHBondContact O-CB 3.35Å; D112-V115 HydrophobicContact CB-CB 4.04Å; D112-V115 HydrophobicContact CB-CG2 3.89Å; D112-V115 CarbonylContact O-C 3.59Å; D112-V115 WeakPolarHBondContact O-CA 3.3Å; D112-V115 PolarHBondContact O-N 3.47Å; V115-Y212 HydrophobicContact CG1-CD1 3.48Å; V115-Y212 VanDerWaalsContact CG1-CD1 3.48Å; V115-Y212 HydrophobicContact CG1-CE1 3.8Å; V115-V504 HydrophobicContact CG2-CG1 4Å |
| 116 | A | 91.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 5% | 0.05 | 9% | 0.09 | C | C | . | . | trans | -76 | 144.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N110 D112 P119 T124 | N110-A116 WeakPolarHBondContact O-CB 3.37Å; D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 2.92Å; A116-P119 HydrophobicContact CB-CB 4.07Å; A116-T124 CarbonylContact C-O 3.34Å | ||
| 117 | Q | 87.8 | Confident | 93.6 | Very high | 64 Ų | 64 | 15.9 Ų | 15.9 | 30% | 0.299 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -71.9 | -47.9 | 177.3 | -175.7 | 176.6 | 10.7 | 0 | 0 | 112.2 | P27 V123 T124 | P27-Q117 VanDerWaalsContact CG-O 3.28Å; P27-Q117 WeakPolarHBondContact CG-O 3.38Å; Q117-V123 PolarHBondContact N-O 2.84Å; Q117-T124 WeakPolarHBondContact CB-O 3.29Å; Q117-T124 PolarHBondContact N-O 3.43Å |
| 118 | F | 92.5 | Very high | 93.2 | Very high | 25 Ų | 25 | 16.2 Ų | 16.2 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -133 | 81.3 | 176.4 | -47.8 | -60.3 | 0 | 0 | 0 | 109.1 | P27 H28 A29 Q120 E121 L122 V123 | P27-F118 HydrophobicContact CB-CD1 4.1Å; P27-F118 HydrophobicContact CB-CE1 4.35Å; H28-F118 WeakPolarHBondContact O-CD1 3.21Å; H28-F118 WeakPolarHBondContact O-CE1 3.34Å; A29-F118 HydrophobicContact CB-CB 4.1Å; A29-F118 HydrophobicContact CB-CD2 3.54Å; A29-F118 HydrophobicContact CB-CE2 4.04Å; A29-F118 HydrophobicContact CB-CG 3.86Å; A29-F118 VanDerWaalsContact N-CG 3.33Å; F118-Q120 VanDerWaalsContact C-N 3.33Å; F118-Q120 PolarHBondContact O-N 3.22Å; F118-E121 HydrophobicContact CB-CB 4.27Å; F118-E121 CarbonylContact O-C 3.36Å; F118-E121 PolarHBondContact O-N 3.23Å; F118-L122 PolarHBondContact O-N 2.92Å; F118-V123 CarbonylContact C-O 3.59Å; F118-V123 HydrophobicContact CB-CB 3.98Å; F118-V123 HydrophobicContact CB-CG2 4.39Å; F118-V123 HydrophobicContact CD2-CB 3.98Å; F118-V123 HydrophobicContact CD2-CG1 3.95Å; F118-V123 HydrophobicContact CD2-CG2 4.23Å; F118-V123 HydrophobicContact CG-CB 4.45Å; F118-V123 PolarHBondContact N-O 3.49Å; F118-V123 PolarHBondContact O-N 2.96Å |
| 119 | P | 94.7 | Very high | 93 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 5% | 0.045 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -62.1 | -36.2 | -168.2 | 22.3 | -33.2 | 0 | 0 | 0 | 113.1 | V26 P113 A116 E121 L122 W135 | V26-P119 HydrophobicContact CB-CG 4.36Å; P113-P119 HydrophobicContact CB-CG 4.18Å; P113-P119 HydrophobicContact CG-CB 4.3Å; P113-P119 HydrophobicContact CG-CG 4.34Å; A116-P119 HydrophobicContact CB-CB 4.07Å; P119-E121 VanDerWaalsContact C-N 3.35Å; P119-L122 PolarHBondContact O-N 3.33Å; P119-W135 WeakPolarHBondContact O-CZ2 3.43Å |
| 120 | Q | 96.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 16.2 Ų | 16.2 | 14% | 0.14 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -75.3 | -21.7 | -179.6 | -74.2 | -167.5 | -17.1 | 0 | 0 | 113.9 | D23 V26 H28 Y77 F118 L122 W135 | D23-Q120 VanDerWaalsContact CB-NE2 3.27Å; V26-Q120 HydrophobicContact CG2-CG 3.99Å; H28-Q120 PolarHBondContact CE1-OE1 3.02Å; Y77-Q120 HydrophobicContact CE1-CB 4.12Å; Y77-Q120 WeakPolarHBondContact CE1-O 3.43Å; F118-Q120 VanDerWaalsContact C-N 3.33Å; F118-Q120 PolarHBondContact O-N 3.22Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-W135 PolarHBondContact O-NE1 3.49Å |
| 121 | E | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -93.9 | 9.9 | 170.7 | -70.8 | 75.9 | -141 | 0 | 0 | 112.8 | R22 H28 A29 Y75 Y77 F118 P119 V123 Q130 | R22-E121 IonicContact CZ-OE1 3.76Å; R22-E121 IonicContact NE-OE1 2.72Å; R22-E121 PolarHBondContact NE-OE1 3.06Å; R22-E121 IonicContact NH2-OE1 3.37Å; H28-E121 WeakPolarHBondContact CA-OE2 3.41Å; H28-E121 IonicContact CE1-OE1 2.69Å; H28-E121 IonicContact CG-OE1 2.68Å; H28-E121 IonicContact CG-OE2 3.58Å; H28-E121 IonicContact ND1-OE1 3.54Å; H28-E121 PolarHBondContact ND1-OE1 3.32Å; H28-E121 IonicContact ND1-OE2 2.96Å; H28-E121 PolarHBondContact ND1-OE2 3.32Å; A29-E121 HydrophobicContact CB-CB 3.96Å; A29-E121 HydrophobicContact CB-CG 3.84Å; A29-E121 PolarHBondContact N-OE2 3.16Å; Y75-E121 HydrophobicContact CD1-CB 4Å; Y75-E121 HydrophobicContact CD1-CG 4.05Å; Y75-E121 HydrophobicContact CD2-CG 4.29Å; Y75-E121 HydrophobicContact CE1-CB 3.51Å; Y75-E121 HydrophobicContact CE1-CG 3.63Å; Y75-E121 HydrophobicContact CE2-CG 3.89Å; Y75-E121 HydrophobicContact CG-CG 4.36Å; Y77-E121 WeakPolarHBondContact CE1-OE1 3.45Å; Y77-E121 WeakPolarHBondContact OH-CG 3.4Å; Y77-E121 PolarHBondContact OH-OE1 2.82Å; F118-E121 HydrophobicContact CB-CB 4.27Å; F118-E121 CarbonylContact O-C 3.36Å; F118-E121 PolarHBondContact O-N 3.23Å; P119-E121 VanDerWaalsContact C-N 3.35Å; E121-V123 HydrophobicContact CB-CG2 4.16Å; E121-V123 PolarHBondContact O-N 3.33Å; E121-Q130 PolarHBondContact O-NE2 3.38Å |
| 122 | L | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 24.4 | 179.3 | -51.3 | 95.5 | 0 | 0 | 0 | 113.8 | Y75 L111 F118 P119 Q120 Q130 V131 F132 W135 F138 | Y75-L122 HydrophobicContact CD1-CD1 4.36Å; L111-L122 HydrophobicContact CD2-CB 3.96Å; L111-L122 HydrophobicContact CD2-CG 4.4Å; F118-L122 PolarHBondContact O-N 2.92Å; P119-L122 PolarHBondContact O-N 3.33Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; L122-Q130 CarbonylContact O-C 3.51Å; L122-Q130 WeakPolarHBondContact O-CA 3.29Å; L122-V131 PolarHBondContact O-N 3.43Å; L122-F132 WeakPolarHBondContact CB-O 3.44Å; L122-F132 HydrophobicContact CD2-CB 3.85Å; L122-F132 HydrophobicContact CD2-CD2 4.08Å; L122-F132 HydrophobicContact CD2-CG 4.47Å; L122-W135 HydrophobicContact CD1-CD2 4.17Å; L122-W135 HydrophobicContact CD1-CG 4.18Å; L122-W135 HydrophobicContact CD1-CZ2 4.34Å; L122-W135 HydrophobicContact CD2-CD2 4.02Å; L122-W135 HydrophobicContact CD2-CE3 4.1Å; L122-W135 HydrophobicContact CD2-CH2 4.43Å; L122-W135 HydrophobicContact CD2-CZ2 4.35Å; L122-W135 HydrophobicContact CD2-CZ3 4.31Å; L122-W135 HydrophobicContact CG-CD2 4.27Å; L122-W135 HydrophobicContact CG-CH2 4.43Å; L122-W135 HydrophobicContact CG-CZ2 3.97Å; L122-F138 HydrophobicContact CD2-CB 4.29Å |
| 123 | V | 96 | Very high | 93 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.6 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | Q117 F118 E121 G129 Q130 | Q117-V123 PolarHBondContact N-O 2.84Å; F118-V123 CarbonylContact C-O 3.59Å; F118-V123 HydrophobicContact CB-CB 3.98Å; F118-V123 HydrophobicContact CB-CG2 4.39Å; F118-V123 HydrophobicContact CD2-CB 3.98Å; F118-V123 HydrophobicContact CD2-CG1 3.95Å; F118-V123 HydrophobicContact CD2-CG2 4.23Å; F118-V123 HydrophobicContact CG-CB 4.45Å; F118-V123 PolarHBondContact N-O 3.49Å; F118-V123 PolarHBondContact O-N 2.96Å; E121-V123 HydrophobicContact CB-CG2 4.16Å; E121-V123 PolarHBondContact O-N 3.33Å; V123-G129 CarbonylContact C-O 3.53Å; V123-G129 WeakPolarHBondContact CA-O 3.45Å; V123-Q130 HydrophobicContact CB-CG 4.37Å; V123-Q130 HydrophobicContact CG2-CG 3.63Å |
| 124 | T | 94.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -47.6 | 175.8 | -53 | 0 | 0 | 0 | 0 | 111.4 | N110 A116 Q117 G129 V131 Y212 | N110-T124 HydrophobicContact CB-CG2 4.37Å; N110-T124 WeakPolarHBondContact O-CG2 3.49Å; N110-T124 PolarHBondContact O-OG1 3.04Å; A116-T124 CarbonylContact C-O 3.34Å; Q117-T124 WeakPolarHBondContact CB-O 3.29Å; Q117-T124 PolarHBondContact N-O 3.43Å; T124-G129 PolarHBondContact N-O 3.2Å; T124-V131 WeakPolarHBondContact OG1-CG2 3.25Å; T124-Y212 HydrophobicContact CG2-CD1 3.37Å; T124-Y212 HydrophobicContact CG2-CE1 4.07Å; T124-Y212 HydrophobicContact CG2-CG 3.72Å |
| 125 | Y | 88.4 | Confident | 93.6 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 177.6 | 179.1 | 68.1 | -78.2 | 0 | 0 | 0 | 112.7 | G127 G129 Q204 T206 A207 Y212 M252 | Y125-G127 VanDerWaalsContact C-N 3.29Å; Y125-G127 PolarHBondContact O-N 2.76Å; Y125-G129 WeakPolarHBondContact O-CA 3.37Å; Y125-G129 PolarHBondContact O-N 2.94Å; Y125-Q204 HydrophobicContact CD2-CG 4.25Å; Y125-Q204 HydrophobicContact CE2-CB 4.33Å; Y125-Q204 HydrophobicContact CE2-CG 3.64Å; Y125-Q204 PolarHBondContact OH-OE1 3.38Å; Y125-T206 WeakPolarHBondContact CE1-OG1 3.41Å; Y125-T206 PolarHBondContact OH-N 2.94Å; Y125-T206 PolarHBondContact OH-OG1 2.8Å; Y125-A207 HydrophobicContact CD1-CB 4.13Å; Y125-A207 HydrophobicContact CE1-CB 3.83Å; Y125-Y212 AromaticContact CD1-CD2 3.79Å; Y125-Y212 HydrophobicContact CD1-CD2 3.79Å; Y125-Y212 AromaticContact CD1-CE2 3.93Å; Y125-Y212 HydrophobicContact CD1-CE2 3.93Å; Y125-Y212 HydrophobicContact CD1-CG 4.14Å; Y125-Y212 AromaticContact CE1-CD2 3.59Å; Y125-Y212 HydrophobicContact CE1-CD2 3.59Å; Y125-Y212 HydrophobicContact CE1-CE2 4.04Å; Y125-Y212 HydrophobicContact CE1-CG 4.11Å; Y125-Y212 HydrophobicContact CG-CE2 4.22Å; Y125-M252 HydrophobicContact CD2-CE 3.95Å; Y125-M252 HydrophobicContact CD2-CG 3.97Å; Y125-M252 HydrophobicContact CD2-SD 3.67Å; Y125-M252 HydrophobicContact CE2-CE 4.19Å; Y125-M252 HydrophobicContact CE2-CG 4.37Å; Y125-M252 HydrophobicContact CE2-SD 3.6Å; Y125-M252 VanDerWaalsContact CE2-SD 3.6Å |
| 126 | G | 82.1 | Confident | 94 | Very high | 9 Ų | 9 | 9 Ų | 9 | 9% | 0.093 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 16.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N128 H347 | G126-N128 PolarHBondContact O-N 2.72Å; G126-N128 PolarHBondContact O-OD1 2.86Å; G126-H347 PolarHBondContact O-NE2 2.68Å |
| 127 | G | 82.9 | Confident | 94.3 | Very high | 27 Ų | 27 | 8.8 Ų | 8.8 | 28% | 0.278 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -36.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y125 | Y125-G127 VanDerWaalsContact C-N 3.29Å; Y125-G127 PolarHBondContact O-N 2.76Å |
| 128 | N | 88.9 | Confident | 94.8 | Very high | 8 Ų | 8 | 5.8 Ų | 5.8 | 4% | 0.043 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.5 | 10 | -177.5 | 62.7 | -8.8 | 0 | 0 | 0 | 115 | G126 Q130 Y191 Y202 N348 | G126-N128 PolarHBondContact O-N 2.72Å; G126-N128 PolarHBondContact O-OD1 2.86Å; N128-Q130 PolarHBondContact O-N 3.37Å; N128-Y191 PolarHBondContact ND2-OH 3.42Å; N128-Y202 WeakPolarHBondContact OD1-CD1 3.36Å; N128-Y202 WeakPolarHBondContact OD1-CE1 3.23Å; N128-N348 PolarHBondContact ND2-ND2 3.16Å; N128-N348 PolarHBondContact OD1-ND2 2.92Å; N128-N348 VanDerWaalsContact OD1-ND2 3.1Å |
| 129 | G | 94.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 104.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V123 T124 Y125 Y202 A207 | V123-G129 CarbonylContact C-O 3.53Å; V123-G129 WeakPolarHBondContact CA-O 3.45Å; T124-G129 PolarHBondContact N-O 3.2Å; Y125-G129 WeakPolarHBondContact O-CA 3.37Å; Y125-G129 PolarHBondContact O-N 2.94Å; G129-Y202 CarbonylContact C-O 3.51Å; G129-Y202 WeakPolarHBondContact CA-O 3.41Å; G129-A207 WeakPolarHBondContact O-CB 3.36Å |
| 130 | Q | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 158.2 | -170.3 | -75.2 | 177.2 | -52.8 | 0 | 0 | 114.2 | E121 L122 V123 N128 M201 Y202 A207 G208 | E121-Q130 PolarHBondContact O-NE2 3.38Å; L122-Q130 CarbonylContact O-C 3.51Å; L122-Q130 WeakPolarHBondContact O-CA 3.29Å; V123-Q130 HydrophobicContact CB-CG 4.37Å; V123-Q130 HydrophobicContact CG2-CG 3.63Å; N128-Q130 PolarHBondContact O-N 3.37Å; Q130-M201 VanDerWaalsContact C-CE 3.42Å; Q130-M201 HydrophobicContact CB-CE 3.8Å; Q130-M201 WeakPolarHBondContact O-CE 3.39Å; Q130-Y202 PolarHBondContact N-O 2.78Å; Q130-A207 CarbonylContact O-C 3.51Å; Q130-G208 VanDerWaalsContact O-CA 3.3Å; Q130-G208 WeakPolarHBondContact O-CA 3.46Å; Q130-G208 PolarHBondContact O-N 2.78Å; Q130-G208 VanDerWaalsContact O-N 3.17Å |
| 131 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -87.7 | -44.3 | 169.5 | -172 | 0 | 0 | 0 | 0 | 110.7 | I107 N110 L111 L122 T124 Y210 | I107-V131 HydrophobicContact CG2-CG1 4.25Å; N110-V131 HydrophobicContact CB-CG2 3.75Å; L111-V131 HydrophobicContact CD1-CB 4.5Å; L111-V131 HydrophobicContact CD1-CG1 4.38Å; L111-V131 HydrophobicContact CD2-CB 3.91Å; L111-V131 HydrophobicContact CD2-CG2 3.52Å; L111-V131 HydrophobicContact CG-CB 4.21Å; L111-V131 HydrophobicContact CG-CG1 4.34Å; L111-V131 HydrophobicContact CG-CG2 3.88Å; L122-V131 PolarHBondContact O-N 3.43Å; T124-V131 WeakPolarHBondContact OG1-CG2 3.25Å; V131-Y210 HydrophobicContact CG1-CD1 3.69Å; V131-Y210 HydrophobicContact CG1-CE1 3.6Å |
| 132 | F | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -143.2 | 159.8 | 173.5 | -54.6 | -73.2 | 0 | 0 | 0 | 109.6 | I107 L122 Q137 F138 V141 M156 G159 M201 Y210 | I107-F132 HydrophobicContact CD1-CZ 4.2Å; I107-F132 HydrophobicContact CG1-CZ 4.43Å; I107-F132 HydrophobicContact CG2-CE2 3.68Å; I107-F132 HydrophobicContact CG2-CZ 4.04Å; L122-F132 WeakPolarHBondContact CB-O 3.44Å; L122-F132 HydrophobicContact CD2-CB 3.85Å; L122-F132 HydrophobicContact CD2-CD2 4.08Å; L122-F132 HydrophobicContact CD2-CG 4.47Å; F132-Q137 HydrophobicContact CB-CB 4.04Å; F132-Q137 HydrophobicContact CD1-CB 4.21Å; F132-Q137 HydrophobicContact CG-CB 4.31Å; F132-F138 HydrophobicContact CD2-CB 3.77Å; F132-F138 HydrophobicContact CD2-CD2 4.05Å; F132-F138 HydrophobicContact CD2-CG 4.43Å; F132-F138 HydrophobicContact CE2-CB 4.1Å; F132-F138 AromaticContact CE2-CD2 3.75Å; F132-F138 HydrophobicContact CE2-CD2 3.75Å; F132-F138 HydrophobicContact CE2-CG 4.4Å; F132-F138 HydrophobicContact CG-CB 4.45Å; F132-V141 HydrophobicContact CD1-CG2 4.37Å; F132-V141 HydrophobicContact CE1-CB 4.16Å; F132-V141 HydrophobicContact CE1-CG1 4.23Å; F132-V141 HydrophobicContact CE1-CG2 3.61Å; F132-V141 HydrophobicContact CZ-CB 4.06Å; F132-V141 HydrophobicContact CZ-CG1 3.9Å; F132-V141 HydrophobicContact CZ-CG2 4.04Å; F132-M156 HydrophobicContact CD1-CE 4.33Å; F132-M156 HydrophobicContact CE1-CE 3.86Å; F132-G159 WeakPolarHBondContact CD1-O 3.47Å; F132-M201 VanDerWaalsContact CA-SD 3.59Å; F132-Y210 HydrophobicContact CE1-CE1 4.15Å; F132-Y210 AromaticContact CE1-CZ 3.92Å; F132-Y210 VanDerWaalsContact CE1-OH 3.25Å; F132-Y210 WeakPolarHBondContact CE1-OH 3.4Å; F132-Y210 HydrophobicContact CZ-CE1 4.03Å | ||
| 133 | S | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.007 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -73.2 | -30.6 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | H73 | H73-S133 PolarHBondContact CE1-OG 3.13Å; H73-S133 PolarHBondContact NE2-O 3.41Å; H73-S133 PolarHBondContact NE2-OG 3.26Å |
| 134 | N | 98.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -155.2 | 167.7 | -179.5 | 58.3 | 67.4 | 0 | 0 | 0 | 112.6 | I74 Y75 M76 A136 Q137 F138 | I74-N134 WeakPolarHBondContact O-CB 3.49Å; Y75-N134 WeakPolarHBondContact O-CA 3.37Å; Y75-N134 WeakPolarHBondContact O-CB 3.1Å; M76-N134 HydrophobicContact CE-CB 4.11Å; M76-N134 HydrophobicContact CG-CB 3.98Å; M76-N134 HydrophobicContact SD-CB 3.92Å; N134-A136 VanDerWaalsContact C-N 3.32Å; N134-A136 PolarHBondContact O-N 3.09Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 3.25Å; N134-Q137 WeakPolarHBondContact O-CB 3.45Å; N134-Q137 PolarHBondContact O-N 2.86Å; N134-Q137 WeakPolarHBondContact OD1-CG 3.36Å; N134-Q137 PolarHBondContact OD1-N 3.09Å; N134-Q137 VanDerWaalsContact OD1-N 3.08Å; N134-F138 PolarHBondContact O-N 3.47Å |
| 135 | W | 98.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 2% | 0.019 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71 | -20.8 | -177.5 | -76.9 | 106 | 0 | 0 | 0 | 114.7 | Y75 F79 C80 P81 M85 L111 P119 Q120 L122 F138 R139 | Y75-W135 PolarHBondContact O-N 3.38Å; F79-W135 HydrophobicContact CB-CB 3.97Å; C80-W135 HydrophobicContact CB-CD2 3.86Å; C80-W135 HydrophobicContact CB-CE3 4.46Å; C80-W135 HydrophobicContact CB-CG 4.03Å; C80-W135 HydrophobicContact CB-CZ2 4.29Å; C80-W135 VanDerWaalsContact SG-CZ2 3.56Å; P81-W135 VanDerWaalsContact CD-CZ3 3.44Å; P81-W135 HydrophobicContact CG-CZ3 4.18Å; M85-W135 HydrophobicContact CE-CH2 3.94Å; M85-W135 HydrophobicContact CE-CZ3 3.85Å; L111-W135 HydrophobicContact CD1-CH2 4.28Å; L111-W135 HydrophobicContact CD1-CZ3 4.35Å; P119-W135 WeakPolarHBondContact O-CZ2 3.43Å; Q120-W135 PolarHBondContact O-NE1 3.49Å; L122-W135 HydrophobicContact CD1-CD2 4.17Å; L122-W135 HydrophobicContact CD1-CG 4.18Å; L122-W135 HydrophobicContact CD1-CZ2 4.34Å; L122-W135 HydrophobicContact CD2-CD2 4.02Å; L122-W135 HydrophobicContact CD2-CE3 4.1Å; L122-W135 HydrophobicContact CD2-CH2 4.43Å; L122-W135 HydrophobicContact CD2-CZ2 4.35Å; L122-W135 HydrophobicContact CD2-CZ3 4.31Å; L122-W135 HydrophobicContact CG-CD2 4.27Å; L122-W135 HydrophobicContact CG-CH2 4.43Å; L122-W135 HydrophobicContact CG-CZ2 3.97Å; W135-F138 HydrophobicContact CE3-CB 3.89Å; W135-F138 AromaticContact CE3-CD1 3.73Å; W135-F138 HydrophobicContact CE3-CD1 3.73Å; W135-F138 HydrophobicContact CE3-CE1 4.47Å; W135-F138 AromaticContact CE3-CG 3.78Å; W135-F138 HydrophobicContact CE3-CG 3.78Å; W135-F138 HydrophobicContact CZ3-CB 4.28Å; W135-F138 AromaticContact CZ3-CD1 3.78Å; W135-F138 HydrophobicContact CZ3-CD1 3.78Å; W135-F138 HydrophobicContact CZ3-CD2 4.05Å; W135-F138 HydrophobicContact CZ3-CE1 4.15Å; W135-F138 HydrophobicContact CZ3-CE2 4.4Å; W135-F138 AromaticContact CZ3-CG 3.75Å; W135-F138 HydrophobicContact CZ3-CG 3.75Å; W135-F138 HydrophobicContact CZ3-CZ 4.46Å; W135-F138 PolarHBondContact O-N 3.28Å; W135-R139 WeakPolarHBondContact O-CG 3.46Å; W135-R139 PolarHBondContact O-N 2.88Å; W135-R139 VanDerWaalsContact O-N 3.09Å |
| 136 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L11 Y51 F52 M76 N134 R139 L140 | L11-A136 HydrophobicContact CD2-CB 3.74Å; Y51-A136 HydrophobicContact CD1-CB 4.33Å; Y51-A136 HydrophobicContact CD2-CB 4.49Å; Y51-A136 HydrophobicContact CG-CB 4.08Å; F52-A136 HydrophobicContact CZ-CB 3.93Å; M76-A136 HydrophobicContact SD-CB 3.39Å; M76-A136 WeakPolarHBondContact SD-CB 3.44Å; N134-A136 VanDerWaalsContact C-N 3.32Å; N134-A136 PolarHBondContact O-N 3.09Å; N134-A136 WeakPolarHBondContact OD1-CB 3.48Å; N134-A136 PolarHBondContact OD1-N 3.25Å; A136-R139 PolarHBondContact O-N 3.48Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.06Å |
| 137 | Q | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 173.4 | -69.8 | 175.1 | -11.3 | 0 | 0 | 111.5 | Y51 F132 N134 R139 L140 V141 G159 | Y51-Q137 HydrophobicContact CE1-CG 4.07Å; Y51-Q137 PolarHBondContact OH-NE2 3.25Å; F132-Q137 HydrophobicContact CB-CB 4.04Å; F132-Q137 HydrophobicContact CD1-CB 4.21Å; F132-Q137 HydrophobicContact CG-CB 4.31Å; N134-Q137 WeakPolarHBondContact O-CB 3.45Å; N134-Q137 PolarHBondContact O-N 2.86Å; N134-Q137 WeakPolarHBondContact OD1-CG 3.36Å; N134-Q137 PolarHBondContact OD1-N 3.09Å; N134-Q137 VanDerWaalsContact OD1-N 3.08Å; Q137-R139 VanDerWaalsContact C-N 3.35Å; Q137-R139 PolarHBondContact O-N 3.42Å; Q137-L140 PolarHBondContact O-N 2.71Å; Q137-V141 VanDerWaalsContact O-CG2 3.27Å; Q137-V141 WeakPolarHBondContact O-CG2 3.36Å; Q137-V141 PolarHBondContact O-N 2.93Å; Q137-G159 WeakPolarHBondContact CB-O 3.49Å; Q137-G159 VanDerWaalsContact CD-C 3.42Å; Q137-G159 PolarHBondContact OE1-O 2.93Å |
| 138 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -52.7 | -52.3 | 174.5 | 171 | -89.4 | 0 | 0 | 0 | 111.2 | L7 P81 M85 I107 L111 L122 F132 N134 W135 L140 V141 M142 | L7-F138 HydrophobicContact CD1-CZ 4.46Å; L7-F138 HydrophobicContact CD2-CE1 3.95Å; L7-F138 HydrophobicContact CD2-CZ 4.33Å; P81-F138 HydrophobicContact CG-CE1 3.8Å; P81-F138 HydrophobicContact CG-CZ 4.37Å; M85-F138 HydrophobicContact CE-CE1 4.18Å; M85-F138 HydrophobicContact CE-CE2 3.76Å; M85-F138 HydrophobicContact CE-CZ 3.5Å; M85-F138 HydrophobicContact SD-CE2 4.33Å; M85-F138 HydrophobicContact SD-CZ 4.31Å; I107-F138 HydrophobicContact CG2-CD2 4.22Å; I107-F138 HydrophobicContact CG2-CE2 4Å; L111-F138 HydrophobicContact CD1-CD2 3.62Å; L111-F138 HydrophobicContact CD1-CE2 3.78Å; L122-F138 HydrophobicContact CD2-CB 4.29Å; F132-F138 HydrophobicContact CD2-CB 3.77Å; F132-F138 HydrophobicContact CD2-CD2 4.05Å; F132-F138 HydrophobicContact CD2-CG 4.43Å; F132-F138 HydrophobicContact CE2-CB 4.1Å; F132-F138 AromaticContact CE2-CD2 3.75Å; F132-F138 HydrophobicContact CE2-CD2 3.75Å; F132-F138 HydrophobicContact CE2-CG 4.4Å; F132-F138 HydrophobicContact CG-CB 4.45Å; N134-F138 PolarHBondContact O-N 3.47Å; W135-F138 HydrophobicContact CE3-CB 3.89Å; W135-F138 AromaticContact CE3-CD1 3.73Å; W135-F138 HydrophobicContact CE3-CD1 3.73Å; W135-F138 HydrophobicContact CE3-CE1 4.47Å; W135-F138 AromaticContact CE3-CG 3.78Å; W135-F138 HydrophobicContact CE3-CG 3.78Å; W135-F138 HydrophobicContact CZ3-CB 4.28Å; W135-F138 AromaticContact CZ3-CD1 3.78Å; W135-F138 HydrophobicContact CZ3-CD1 3.78Å; W135-F138 HydrophobicContact CZ3-CD2 4.05Å; W135-F138 HydrophobicContact CZ3-CE1 4.15Å; W135-F138 HydrophobicContact CZ3-CE2 4.4Å; W135-F138 AromaticContact CZ3-CG 3.75Å; W135-F138 HydrophobicContact CZ3-CG 3.75Å; W135-F138 HydrophobicContact CZ3-CZ 4.46Å; W135-F138 PolarHBondContact O-N 3.28Å; F138-L140 PolarHBondContact O-N 3.33Å; F138-V141 PolarHBondContact O-N 2.83Å; F138-M142 HydrophobicContact CD1-CG 4.27Å; F138-M142 HydrophobicContact CD2-CG 4.33Å; F138-M142 HydrophobicContact CE1-CG 3.83Å; F138-M142 HydrophobicContact CE2-CE 4.33Å; F138-M142 HydrophobicContact CE2-CG 3.9Å; F138-M142 HydrophobicContact CE2-SD 4.1Å; F138-M142 HydrophobicContact CG-CG 4.48Å; F138-M142 HydrophobicContact CZ-CE 4.08Å; F138-M142 HydrophobicContact CZ-CG 3.61Å; F138-M142 HydrophobicContact CZ-SD 4.2Å; F138-M142 VanDerWaalsContact O-CG 3.28Å; F138-M142 WeakPolarHBondContact O-CG 3.49Å; F138-M142 PolarHBondContact O-N 3.45Å |
| 139 | R | 98.5 | Very high | 98.3 | Very high | 23 Ų | 23 | 16.4 Ų | 16.4 | 9% | 0.087 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | -178.7 | -73.5 | -66.5 | -168.8 | 155.9 | 8 | 112.7 | D6 L11 F79 P81 W135 A136 Q137 R143 | D6-R139 PolarHBondContact O-NH1 3.3Å; D6-R139 VanDerWaalsContact O-NH1 3.15Å; L11-R139 HydrophobicContact CD2-CB 3.87Å; L11-R139 HydrophobicContact CD2-CG 4.32Å; F79-R139 PolarHBondContact O-NE 2.71Å; P81-R139 VanDerWaalsContact CA-NH2 3.32Å; W135-R139 WeakPolarHBondContact O-CG 3.46Å; W135-R139 PolarHBondContact O-N 2.88Å; W135-R139 VanDerWaalsContact O-N 3.09Å; A136-R139 PolarHBondContact O-N 3.48Å; Q137-R139 VanDerWaalsContact C-N 3.35Å; Q137-R139 PolarHBondContact O-N 3.42Å; R139-R143 PolarHBondContact O-N 3.21Å; R139-R143 VanDerWaalsContact O-N 3.12Å |
| 140 | L | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 21.7 Ų | 21.7 | 14% | 0.136 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 179.2 | -71.1 | 173.8 | 0 | 0 | 0 | 112.1 | L11 Y51 A136 Q137 F138 R143 Y144 P161 | L11-L140 HydrophobicContact CD1-CD1 4.4Å; L11-L140 HydrophobicContact CD1-CD2 4.24Å; L11-L140 HydrophobicContact CD1-CG 4.31Å; L11-L140 HydrophobicContact CG-CD2 4.2Å; L11-L140 HydrophobicContact CG-CG 4.27Å; Y51-L140 HydrophobicContact CD1-CD1 3.66Å; Y51-L140 HydrophobicContact CE1-CD1 4.13Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.06Å; Q137-L140 PolarHBondContact O-N 2.71Å; F138-L140 PolarHBondContact O-N 3.33Å; L140-R143 WeakPolarHBondContact O-CB 3.47Å; L140-R143 PolarHBondContact O-N 2.95Å; L140-Y144 HydrophobicContact CB-CE2 4.26Å; L140-Y144 WeakPolarHBondContact O-CD2 3.32Å; L140-Y144 PolarHBondContact O-N 2.97Å; L140-P161 HydrophobicContact CB-CG 3.59Å; L140-P161 HydrophobicContact CD1-CG 4.3Å |
| 141 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 111 | I107 F132 Q137 F138 R143 Y144 L145 L154 M156 P161 | I107-V141 HydrophobicContact CD1-CG1 3.83Å; F132-V141 HydrophobicContact CD1-CG2 4.37Å; F132-V141 HydrophobicContact CE1-CB 4.16Å; F132-V141 HydrophobicContact CE1-CG1 4.23Å; F132-V141 HydrophobicContact CE1-CG2 3.61Å; F132-V141 HydrophobicContact CZ-CB 4.06Å; F132-V141 HydrophobicContact CZ-CG1 3.9Å; F132-V141 HydrophobicContact CZ-CG2 4.04Å; Q137-V141 VanDerWaalsContact O-CG2 3.27Å; Q137-V141 WeakPolarHBondContact O-CG2 3.36Å; Q137-V141 PolarHBondContact O-N 2.93Å; F138-V141 PolarHBondContact O-N 2.83Å; V141-R143 VanDerWaalsContact C-N 3.27Å; V141-R143 PolarHBondContact O-N 3.3Å; V141-Y144 PolarHBondContact O-N 3.33Å; V141-L145 HydrophobicContact CG1-CD1 3.73Å; V141-L145 HydrophobicContact CG1-CG 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.33Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.46Å; V141-L145 PolarHBondContact O-N 3.47Å; V141-L154 HydrophobicContact CG1-CD2 4.16Å; V141-M156 HydrophobicContact CG2-CE 3.44Å; V141-M156 VanDerWaalsContact CG2-CE 3.44Å; V141-M156 HydrophobicContact CG2-SD 3.84Å; V141-P161 HydrophobicContact CG2-CB 3.67Å; V141-P161 HydrophobicContact CG2-CG 3.86Å |
| 142 | M | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -37.3 | 178.9 | -62.9 | -52.3 | -94.1 | 0 | 0 | 112 | L7 M104 I107 M108 F138 S146 | L7-M142 HydrophobicContact CB-CB 4.04Å; L7-M142 HydrophobicContact CB-CG 4.46Å; L7-M142 HydrophobicContact CD1-CE 3.69Å; L7-M142 WeakPolarHBondContact O-CB 3.22Å; M104-M142 HydrophobicContact CB-CE 3.87Å; M104-M142 HydrophobicContact CB-SD 4.32Å; M104-M142 HydrophobicContact CE-CB 4.07Å; M104-M142 HydrophobicContact CE-CE 3.37Å; M104-M142 HydrophobicContact CE-CG 4.49Å; M104-M142 HydrophobicContact CE-SD 4.01Å; M104-M142 HydrophobicContact CG-CE 3.92Å; M104-M142 HydrophobicContact CG-SD 3.88Å; M104-M142 HydrophobicContact SD-CE 4.46Å; I107-M142 HydrophobicContact CG2-SD 4.26Å; M108-M142 HydrophobicContact CG-CE 3.59Å; M108-M142 HydrophobicContact SD-CE 3.72Å; F138-M142 HydrophobicContact CD1-CG 4.27Å; F138-M142 HydrophobicContact CD2-CG 4.33Å; F138-M142 HydrophobicContact CE1-CG 3.83Å; F138-M142 HydrophobicContact CE2-CE 4.33Å; F138-M142 HydrophobicContact CE2-CG 3.9Å; F138-M142 HydrophobicContact CE2-SD 4.1Å; F138-M142 HydrophobicContact CG-CG 4.48Å; F138-M142 HydrophobicContact CZ-CE 4.08Å; F138-M142 HydrophobicContact CZ-CG 3.61Å; F138-M142 HydrophobicContact CZ-SD 4.2Å; F138-M142 VanDerWaalsContact O-CG 3.28Å; F138-M142 WeakPolarHBondContact O-CG 3.49Å; F138-M142 PolarHBondContact O-N 3.45Å; M142-S146 WeakPolarHBondContact O-CB 3.46Å; M142-S146 PolarHBondContact O-N 3.35Å; M142-S146 VanDerWaalsContact O-N 3.14Å |
| 143 | R | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 30.4 Ų | 30.4 | 39% | 0.389 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.3 | -55.4 | 171.1 | 172.3 | 173.2 | 172 | -176.5 | -2.8 | 111.9 | C8 R139 L140 V141 L145 S146 E147 | C8-R143 WeakPolarHBondContact O-CB 3.46Å; C8-R143 WeakPolarHBondContact O-CG 3.31Å; R139-R143 PolarHBondContact O-N 3.21Å; R139-R143 VanDerWaalsContact O-N 3.12Å; L140-R143 WeakPolarHBondContact O-CB 3.47Å; L140-R143 PolarHBondContact O-N 2.95Å; V141-R143 VanDerWaalsContact C-N 3.27Å; V141-R143 PolarHBondContact O-N 3.3Å; R143-L145 VanDerWaalsContact C-N 3.31Å; R143-L145 PolarHBondContact O-N 3.47Å; R143-S146 PolarHBondContact O-N 3.47Å; R143-S146 PolarHBondContact O-OG 3.04Å; R143-E147 IonicContact NE-OE2 3.05Å; R143-E147 PolarHBondContact O-N 2.93Å |
| 144 | Y | 98.9 | Very high | 98.5 | Very high | 55 Ų | 55 | 30.5 Ų | 30.5 | 22% | 0.216 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | -177.6 | -71.2 | -47 | 0 | 0 | 0 | 112.2 | L140 V141 S146 E147 M148 L154 P161 L164 | L140-Y144 HydrophobicContact CB-CE2 4.26Å; L140-Y144 WeakPolarHBondContact O-CD2 3.32Å; L140-Y144 PolarHBondContact O-N 2.97Å; V141-Y144 PolarHBondContact O-N 3.33Å; Y144-S146 VanDerWaalsContact C-N 3.29Å; Y144-S146 PolarHBondContact O-N 2.97Å; Y144-E147 PolarHBondContact O-N 3.37Å; Y144-M148 VanDerWaalsContact O-CB 3.28Å; Y144-M148 WeakPolarHBondContact O-CB 3.38Å; Y144-M148 PolarHBondContact O-N 3.36Å; Y144-L154 HydrophobicContact CD2-CD1 3.91Å; Y144-L154 HydrophobicContact CG-CD1 4.21Å; Y144-P161 HydrophobicContact CD2-CB 3.81Å; Y144-P161 HydrophobicContact CD2-CG 4.37Å; Y144-P161 HydrophobicContact CE2-CB 3.86Å; Y144-P161 HydrophobicContact CE2-CG 4.17Å; Y144-L164 HydrophobicContact CD1-CD1 4.07Å; Y144-L164 HydrophobicContact CD1-CG 4Å; Y144-L164 HydrophobicContact CG-CG 4.26Å |
| 145 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -34.4 | 175.3 | -69.8 | -179.7 | 0 | 0 | 0 | 112.6 | A100 M103 M104 I107 V141 R143 M148 L154 | A100-L145 HydrophobicContact CB-CB 4.3Å; A100-L145 HydrophobicContact CB-CD2 4.26Å; A100-L145 WeakPolarHBondContact CB-O 3.34Å; M103-L145 HydrophobicContact CB-CD1 4.07Å; M103-L145 HydrophobicContact CB-CD2 4.43Å; M103-L145 HydrophobicContact CE-CD2 3.41Å; M103-L145 VanDerWaalsContact CE-CD2 3.41Å; M103-L145 HydrophobicContact SD-CD2 4.38Å; M104-L145 HydrophobicContact CG-CB 3.73Å; M104-L145 HydrophobicContact CG-CD1 3.65Å; M104-L145 HydrophobicContact CG-CG 4.36Å; M104-L145 HydrophobicContact SD-CB 3.98Å; I107-L145 HydrophobicContact CD1-CD1 3.65Å; V141-L145 HydrophobicContact CG1-CD1 3.73Å; V141-L145 HydrophobicContact CG1-CG 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.33Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.46Å; V141-L145 PolarHBondContact O-N 3.47Å; R143-L145 VanDerWaalsContact C-N 3.31Å; R143-L145 PolarHBondContact O-N 3.47Å; L145-M148 HydrophobicContact CD2-SD 3.79Å; L145-L154 HydrophobicContact CD2-CD2 3.97Å; L145-L154 HydrophobicContact CG-CD2 4.19Å |
| 146 | S | 98.4 | Very high | 98.6 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -36 | 178.4 | 73 | 0 | 0 | 0 | 0 | 113.6 | C8 C95 R96 M142 R143 Y144 | C8-S146 WeakPolarHBondContact CB-OG 3.39Å; C8-S146 WeakPolarHBondContact SG-CB 3.46Å; C95-S146 WeakPolarHBondContact CA-O 3.24Å; R96-S146 PolarHBondContact N-O 3.26Å; R96-S146 VanDerWaalsContact N-O 3.11Å; M142-S146 WeakPolarHBondContact O-CB 3.46Å; M142-S146 PolarHBondContact O-N 3.35Å; M142-S146 VanDerWaalsContact O-N 3.14Å; R143-S146 PolarHBondContact O-N 3.47Å; R143-S146 PolarHBondContact O-OG 3.04Å; Y144-S146 VanDerWaalsContact C-N 3.29Å; Y144-S146 PolarHBondContact O-N 2.97Å |
| 147 | E | 98 | Very high | 98.6 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -98.7 | -14.3 | -173.5 | 71.2 | -174.3 | -164.2 | 0 | 0 | 114.6 | R96 R143 Y144 L164 | R96-E147 VanDerWaalsContact CD-O 3.26Å; R96-E147 WeakPolarHBondContact CD-O 3.45Å; R96-E147 PolarHBondContact NE-O 3.4Å; R96-E147 PolarHBondContact NH1-O 2.78Å; R96-E147 VanDerWaalsContact NH1-O 3.12Å; R143-E147 IonicContact NE-OE2 3.05Å; R143-E147 PolarHBondContact O-N 2.93Å; Y144-E147 PolarHBondContact O-N 3.37Å; E147-L164 HydrophobicContact CG-CD1 4.15Å |
| 148 | M | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -65.3 | 148.2 | -177 | 72.1 | 175.5 | -54.6 | 0 | 0 | 113 | R96 A100 M103 Y144 L145 Q152 L164 R173 | R96-M148 WeakPolarHBondContact CB-O 3.2Å; A100-M148 HydrophobicContact CB-CG 3.86Å; A100-M148 HydrophobicContact CB-SD 3.8Å; M103-M148 HydrophobicContact CE-SD 4.36Å; Y144-M148 VanDerWaalsContact O-CB 3.28Å; Y144-M148 WeakPolarHBondContact O-CB 3.38Å; Y144-M148 PolarHBondContact O-N 3.36Å; L145-M148 HydrophobicContact CD2-SD 3.79Å; M148-Q152 HydrophobicContact CE-CB 4.32Å; M148-Q152 WeakPolarHBondContact CE-O 3.43Å; M148-L164 HydrophobicContact CB-CD1 3.72Å; M148-L164 HydrophobicContact CB-CD2 3.65Å; M148-L164 HydrophobicContact CB-CG 4.34Å; M148-L164 HydrophobicContact CE-CD2 4.25Å; M148-L164 HydrophobicContact SD-CD2 4.43Å; M148-R173 HydrophobicContact CE-CB 3.8Å; M148-R173 HydrophobicContact CE-CG 4.28Å; M148-R173 WeakPolarHBondContact CE-O 3.22Å; M148-R173 HydrophobicContact SD-CB 4.21Å | ||
| 149 | T | 98.5 | Very high | 98.5 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 29% | 0.288 | 18% | 0.175 | S | C | . | . | trans | -100.2 | 175.7 | 174.6 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | E151 Q152 | T149-E151 PolarHBondContact O-N 3.14Å; T149-E151 PolarHBondContact OG1-N 3.47Å; T149-Q152 PolarHBondContact O-N 2.93Å; T149-Q152 PolarHBondContact OG1-OE1 3.42Å | ||
| 150 | E | 96.8 | Very high | 98.5 | Very high | 112 Ų | 112 | 39.7 Ų | 39.7 | 52% | 0.523 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.3 | 174.2 | -60.9 | -173.7 | 168.2 | 0 | 0 | 112.7 | T97 Q152 P169 R173 | T97-E150 HydrophobicContact CG2-CG 3.67Å; E150-Q152 VanDerWaalsContact C-N 3.27Å; E150-Q152 PolarHBondContact O-N 2.97Å; E150-P169 VanDerWaalsContact O-CA 3.32Å; E150-P169 WeakPolarHBondContact O-CA 3.41Å; E150-R173 PolarHBondContact O-NH1 2.9Å; E150-R173 PolarHBondContact O-NH2 3.23Å |
| 151 | E | 98.1 | Very high | 98.5 | Very high | 128 Ų | 128 | 38.6 Ų | 38.6 | 60% | 0.598 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | 23.1 | 178.3 | -60.7 | -177.8 | 165.6 | 0 | 0 | 111.9 | T149 P166 S167 P169 | T149-E151 PolarHBondContact O-N 3.14Å; T149-E151 PolarHBondContact OG1-N 3.47Å; E151-P166 CarbonylContact O-C 3.53Å; E151-P166 WeakPolarHBondContact O-CA 3.45Å; E151-S167 CarbonylContact C-O 3.21Å; E151-S167 VanDerWaalsContact CA-O 3.31Å; E151-S167 WeakPolarHBondContact CA-O 3.4Å; E151-S167 PolarHBondContact O-N 3.29Å; E151-P169 HydrophobicContact CG-CG 4.33Å |
| 152 | Q | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 152.2 | -179.9 | -68.2 | 173.9 | -64.3 | 0 | 0 | 111.9 | M148 T149 E150 L164 F165 S167 R173 | M148-Q152 HydrophobicContact CE-CB 4.32Å; M148-Q152 WeakPolarHBondContact CE-O 3.43Å; T149-Q152 PolarHBondContact O-N 2.93Å; T149-Q152 PolarHBondContact OG1-OE1 3.42Å; E150-Q152 VanDerWaalsContact C-N 3.27Å; E150-Q152 PolarHBondContact O-N 2.97Å; Q152-L164 HydrophobicContact CB-CB 4.47Å; Q152-F165 CarbonylContact C-O 3.36Å; Q152-F165 VanDerWaalsContact CA-O 3.27Å; Q152-F165 WeakPolarHBondContact CA-O 3.23Å; Q152-S167 PolarHBondContact O-OG 2.89Å; Q152-R173 PolarHBondContact O-NE 2.8Å |
| 153 | T | 98.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.3 | 172.7 | -63 | 0 | 0 | 0 | 0 | 109.2 | F165 S167 P172 I175 | T153-F165 PolarHBondContact N-O 3.38Å; T153-F165 PolarHBondContact O-N 2.92Å; T153-S167 PolarHBondContact N-OG 2.87Å; T153-S167 VanDerWaalsContact OG1-CB 3.23Å; T153-S167 WeakPolarHBondContact OG1-CB 3.33Å; T153-S167 PolarHBondContact OG1-OG 3.04Å; T153-P172 WeakPolarHBondContact CB-O 3.31Å; T153-P172 VanDerWaalsContact CG2-O 3.27Å; T153-P172 WeakPolarHBondContact CG2-O 3.23Å; T153-P172 PolarHBondContact OG1-O 3.36Å; T153-I175 HydrophobicContact CG2-CB 4.44Å; T153-I175 HydrophobicContact CG2-CD1 3.86Å; T153-I175 HydrophobicContact CG2-CG1 3.76Å |
| 154 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 121.5 | 169.8 | 178.1 | 59 | 0 | 0 | 0 | 109.9 | V141 Y144 L145 M156 P161 L164 R173 A174 I175 | V141-L154 HydrophobicContact CG1-CD2 4.16Å; Y144-L154 HydrophobicContact CD2-CD1 3.91Å; Y144-L154 HydrophobicContact CG-CD1 4.21Å; L145-L154 HydrophobicContact CD2-CD2 3.97Å; L145-L154 HydrophobicContact CG-CD2 4.19Å; L154-M156 HydrophobicContact CD1-SD 4.05Å; L154-M156 HydrophobicContact CD2-CG 4.43Å; L154-M156 HydrophobicContact CD2-SD 3.69Å; L154-M156 HydrophobicContact CG-CG 4.17Å; L154-M156 HydrophobicContact CG-SD 3.64Å; L154-P161 HydrophobicContact CD1-CB 4.11Å; L154-L164 HydrophobicContact CB-CD2 3.87Å; L154-L164 HydrophobicContact CD1-CD2 4.24Å; L154-R173 PolarHBondContact N-O 2.66Å; L154-A174 HydrophobicContact CB-CB 4.33Å; L154-A174 VanDerWaalsContact O-CA 3.25Å; L154-A174 WeakPolarHBondContact O-CA 3.23Å; L154-I175 PolarHBondContact O-N 3.43Å |
| 155 | V | 98.8 | Very high | 98.5 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | Y157 M162 G163 F165 | V155-Y157 HydrophobicContact CG1-CD1 3.93Å; V155-Y157 HydrophobicContact CG1-CE1 3.41Å; V155-Y157 VanDerWaalsContact CG1-CE1 3.41Å; V155-M162 HydrophobicContact CB-CB 4.35Å; V155-M162 WeakPolarHBondContact O-CB 3.2Å; V155-M162 PolarHBondContact O-N 3.06Å; V155-G163 PolarHBondContact N-O 3.39Å; V155-F165 HydrophobicContact CB-CD2 4.1Å; V155-F165 HydrophobicContact CB-CE2 4.1Å; V155-F165 HydrophobicContact CG2-CD2 3.51Å; V155-F165 HydrophobicContact CG2-CE2 3.97Å; V155-F165 HydrophobicContact CG2-CG 4.26Å |
| 156 | M | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122 | -174.2 | -60.3 | -60.9 | -59.5 | 0 | 0 | 111.8 | F132 V141 L154 G159 H160 P161 I175 I176 T177 | F132-M156 HydrophobicContact CD1-CE 4.33Å; F132-M156 HydrophobicContact CE1-CE 3.86Å; V141-M156 HydrophobicContact CG2-CE 3.44Å; V141-M156 VanDerWaalsContact CG2-CE 3.44Å; V141-M156 HydrophobicContact CG2-SD 3.84Å; L154-M156 HydrophobicContact CD1-SD 4.05Å; L154-M156 HydrophobicContact CD2-CG 4.43Å; L154-M156 HydrophobicContact CD2-SD 3.69Å; L154-M156 HydrophobicContact CG-CG 4.17Å; L154-M156 HydrophobicContact CG-SD 3.64Å; M156-G159 WeakPolarHBondContact CE-O 3.48Å; M156-H160 WeakPolarHBondContact CA-O 3.3Å; M156-P161 HydrophobicContact CE-CB 4.19Å; M156-P161 HydrophobicContact SD-CB 3.79Å; M156-I175 PolarHBondContact N-O 2.94Å; M156-I176 HydrophobicContact CB-CB 4.36Å; M156-I176 HydrophobicContact CB-CG1 4.17Å; M156-I176 HydrophobicContact CB-CG2 4.28Å; M156-I176 HydrophobicContact CG-CG1 4.16Å; M156-T177 PolarHBondContact O-N 3.01Å; M156-T177 VanDerWaalsContact O-N 3.09Å; M156-T177 PolarHBondContact O-OG1 2.88Å; M156-T177 VanDerWaalsContact O-OG1 3.07Å |
| 157 | Y | 98.8 | Very high | 98.5 | Very high | 126 Ų | 126 | 48.3 Ų | 48.3 | 49% | 0.494 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 92.7 | 178.8 | -79 | 73.6 | 0 | 0 | 0 | 110.5 | V155 G159 H160 M162 | V155-Y157 HydrophobicContact CG1-CD1 3.93Å; V155-Y157 HydrophobicContact CG1-CE1 3.41Å; V155-Y157 VanDerWaalsContact CG1-CE1 3.41Å; Y157-G159 VanDerWaalsContact C-N 3.35Å; Y157-G159 PolarHBondContact O-N 3.08Å; Y157-H160 PolarHBondContact N-O 3.02Å; Y157-H160 VanDerWaalsContact O-CB 3.24Å; Y157-H160 WeakPolarHBondContact O-CB 3.22Å; Y157-H160 PolarHBondContact O-N 3.22Å; Y157-M162 HydrophobicContact CD1-CB 3.77Å; Y157-M162 HydrophobicContact CD1-CE 3.84Å; Y157-M162 HydrophobicContact CD1-CG 4.33Å; Y157-M162 HydrophobicContact CD2-CE 4.45Å; Y157-M162 HydrophobicContact CE1-CB 3.95Å; Y157-M162 HydrophobicContact CE1-CE 3.94Å; Y157-M162 HydrophobicContact CE1-CG 4.1Å; Y157-M162 HydrophobicContact CG-CE 4.1Å |
| 158 | S | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 56.9 | -179.8 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | H160 T177 N178 G179 M201 | S158-H160 PolarHBondContact O-N 3.31Å; S158-T177 VanDerWaalsContact CA-O 3.24Å; S158-T177 WeakPolarHBondContact CA-O 3.48Å; S158-T177 PolarHBondContact N-O 3.02Å; S158-N178 WeakPolarHBondContact CA-OD1 3.5Å; S158-G179 PolarHBondContact OG-N 2.88Å; S158-M201 VanDerWaalsContact C-CG 3.46Å; S158-M201 VanDerWaalsContact C-SD 3.58Å; S158-M201 WeakPolarHBondContact O-CG 3.38Å |
| 159 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -24.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F132 Q137 M156 Y157 P161 N178 | F132-G159 WeakPolarHBondContact CD1-O 3.47Å; Q137-G159 WeakPolarHBondContact CB-O 3.49Å; Q137-G159 VanDerWaalsContact CD-C 3.42Å; Q137-G159 PolarHBondContact OE1-O 2.93Å; M156-G159 WeakPolarHBondContact CE-O 3.48Å; Y157-G159 VanDerWaalsContact C-N 3.35Å; Y157-G159 PolarHBondContact O-N 3.08Å; G159-P161 VanDerWaalsContact O-CD 3.3Å; G159-P161 WeakPolarHBondContact O-CD 3.37Å; G159-N178 PolarHBondContact N-OD1 3.38Å |
| 160 | H | 98.8 | Very high | 98 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.7 | 177.5 | 174.9 | 68.6 | 0 | 0 | 0 | 111.6 | Y51 M156 Y157 S158 M162 | Y51-H160 AromaticContact CE1-CE1 3.9Å; Y51-H160 AromaticContact CE1-ND1 3.41Å; Y51-H160 WeakPolarHBondContact CE1-ND1 3.48Å; Y51-H160 AromaticContact CZ-ND1 3.57Å; Y51-H160 PolarHBondContact OH-ND1 3.34Å; M156-H160 WeakPolarHBondContact CA-O 3.3Å; Y157-H160 PolarHBondContact N-O 3.02Å; Y157-H160 VanDerWaalsContact O-CB 3.24Å; Y157-H160 WeakPolarHBondContact O-CB 3.22Å; Y157-H160 PolarHBondContact O-N 3.22Å; S158-H160 PolarHBondContact O-N 3.31Å; H160-M162 PolarHBondContact O-N 3.03Å |
| 161 | P | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 100 | 173 | 30.9 | -32.1 | 0 | 0 | 0 | 110.3 | L140 V141 Y144 L154 M156 G159 G163 | L140-P161 HydrophobicContact CB-CG 3.59Å; L140-P161 HydrophobicContact CD1-CG 4.3Å; V141-P161 HydrophobicContact CG2-CB 3.67Å; V141-P161 HydrophobicContact CG2-CG 3.86Å; Y144-P161 HydrophobicContact CD2-CB 3.81Å; Y144-P161 HydrophobicContact CD2-CG 4.37Å; Y144-P161 HydrophobicContact CE2-CB 3.86Å; Y144-P161 HydrophobicContact CE2-CG 4.17Å; L154-P161 HydrophobicContact CD1-CB 4.11Å; M156-P161 HydrophobicContact CE-CB 4.19Å; M156-P161 HydrophobicContact SD-CB 3.79Å; G159-P161 VanDerWaalsContact O-CD 3.3Å; G159-P161 WeakPolarHBondContact O-CD 3.37Å; P161-G163 VanDerWaalsContact C-N 3.25Å; P161-G163 PolarHBondContact O-N 3.46Å |
| 162 | M | 98.6 | Very high | 98.1 | Very high | 86 Ų | 86 | 44 Ų | 44 | 42% | 0.424 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | -37.9 | 179.6 | -173.3 | 60.2 | 67.9 | 0 | 0 | 111.4 | V155 Y157 H160 F165 | V155-M162 HydrophobicContact CB-CB 4.35Å; V155-M162 WeakPolarHBondContact O-CB 3.2Å; V155-M162 PolarHBondContact O-N 3.06Å; Y157-M162 HydrophobicContact CD1-CB 3.77Å; Y157-M162 HydrophobicContact CD1-CE 3.84Å; Y157-M162 HydrophobicContact CD1-CG 4.33Å; Y157-M162 HydrophobicContact CD2-CE 4.45Å; Y157-M162 HydrophobicContact CE1-CB 3.95Å; Y157-M162 HydrophobicContact CE1-CE 3.94Å; Y157-M162 HydrophobicContact CE1-CG 4.1Å; Y157-M162 HydrophobicContact CG-CE 4.1Å; H160-M162 PolarHBondContact O-N 3.03Å; M162-F165 HydrophobicContact CB-CE2 4.4Å; M162-F165 HydrophobicContact CG-CE2 4.04Å; M162-F165 HydrophobicContact CG-CZ 4.06Å |
| 163 | G | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.1 | -178.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V155 P161 F165 | V155-G163 PolarHBondContact N-O 3.39Å; P161-G163 VanDerWaalsContact C-N 3.25Å; P161-G163 PolarHBondContact O-N 3.46Å; G163-F165 WeakPolarHBondContact O-CD2 3.24Å |
| 164 | L | 98.9 | Very high | 98.1 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.1 | 173.5 | -63.4 | 175.2 | 0 | 0 | 0 | 109.7 | Y144 E147 M148 Q152 L154 | Y144-L164 HydrophobicContact CD1-CD1 4.07Å; Y144-L164 HydrophobicContact CD1-CG 4Å; Y144-L164 HydrophobicContact CG-CG 4.26Å; E147-L164 HydrophobicContact CG-CD1 4.15Å; M148-L164 HydrophobicContact CB-CD1 3.72Å; M148-L164 HydrophobicContact CB-CD2 3.65Å; M148-L164 HydrophobicContact CB-CG 4.34Å; M148-L164 HydrophobicContact CE-CD2 4.25Å; M148-L164 HydrophobicContact SD-CD2 4.43Å; Q152-L164 HydrophobicContact CB-CB 4.47Å; L154-L164 HydrophobicContact CB-CD2 3.87Å; L154-L164 HydrophobicContact CD1-CD2 4.24Å |
| 165 | F | 98.8 | Very high | 98.1 | Very high | 99 Ų | 99 | 44.1 Ų | 44.1 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.9 | 176.8 | -66.7 | -100.5 | 0 | 0 | 0 | 109.7 | Q152 T153 V155 M162 G163 | Q152-F165 CarbonylContact C-O 3.36Å; Q152-F165 VanDerWaalsContact CA-O 3.27Å; Q152-F165 WeakPolarHBondContact CA-O 3.23Å; T153-F165 PolarHBondContact N-O 3.38Å; T153-F165 PolarHBondContact O-N 2.92Å; V155-F165 HydrophobicContact CB-CD2 4.1Å; V155-F165 HydrophobicContact CB-CE2 4.1Å; V155-F165 HydrophobicContact CG2-CD2 3.51Å; V155-F165 HydrophobicContact CG2-CE2 3.97Å; V155-F165 HydrophobicContact CG2-CG 4.26Å; M162-F165 HydrophobicContact CB-CE2 4.4Å; M162-F165 HydrophobicContact CG-CE2 4.04Å; M162-F165 HydrophobicContact CG-CZ 4.06Å; G163-F165 WeakPolarHBondContact O-CD2 3.24Å |
| 166 | P | 98.6 | Very high | 98.1 | Very high | 119 Ų | 119 | 42.6 Ų | 42.6 | 77% | 0.773 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 140.1 | 175.3 | -24.5 | 34.4 | 0 | 0 | 0 | 112.4 | E151 | E151-P166 CarbonylContact O-C 3.53Å; E151-P166 WeakPolarHBondContact O-CA 3.45Å |
| 167 | S | 97.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | trans | -154.9 | -175.6 | 178.7 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | E151 Q152 T153 | E151-S167 CarbonylContact C-O 3.21Å; E151-S167 VanDerWaalsContact CA-O 3.31Å; E151-S167 WeakPolarHBondContact CA-O 3.4Å; E151-S167 PolarHBondContact O-N 3.29Å; Q152-S167 PolarHBondContact O-OG 2.89Å; T153-S167 PolarHBondContact N-OG 2.87Å; T153-S167 VanDerWaalsContact OG1-CB 3.23Å; T153-S167 WeakPolarHBondContact OG1-CB 3.33Å; T153-S167 PolarHBondContact OG1-OG 3.04Å | ||
| 168 | L | 96.9 | Very high | 98.1 | Very high | 112 Ų | 112 | 38.1 Ų | 38.1 | 59% | 0.586 | 22% | 0.218 | S | C | * | . | trans | -91.6 | 154.8 | 179 | -59 | 174.5 | 0 | 0 | 0 | 110.6 | S170 S171 R173 | L168-S170 PolarHBondContact O-N 3.06Å; L168-S170 VanDerWaalsContact O-N 3.09Å; L168-S171 PolarHBondContact N-OG 2.91Å; L168-S171 WeakPolarHBondContact O-CB 3.5Å; L168-S171 PolarHBondContact O-N 2.85Å; L168-S171 PolarHBondContact O-OG 2.91Å; L168-R173 PolarHBondContact O-NH2 3.27Å | ||
| 169 | P | 95.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -32.7 | 172.6 | -29.8 | 37 | 0 | 0 | 0 | 114.3 | E150 E151 S171 R173 | E150-P169 VanDerWaalsContact O-CA 3.32Å; E150-P169 WeakPolarHBondContact O-CA 3.41Å; E151-P169 HydrophobicContact CG-CG 4.33Å; P169-S171 VanDerWaalsContact C-N 3.35Å; P169-R173 PolarHBondContact O-NH1 3.18Å |
| 170 | S | 92.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.3 | 176.6 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | L168 | L168-S170 PolarHBondContact O-N 3.06Å; L168-S170 VanDerWaalsContact O-N 3.09Å |
| 171 | S | 97.6 | Very high | 98 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -71 | 161.6 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | L168 P169 R173 | L168-S171 PolarHBondContact N-OG 2.91Å; L168-S171 WeakPolarHBondContact O-CB 3.5Å; L168-S171 PolarHBondContact O-N 2.85Å; L168-S171 PolarHBondContact O-OG 2.91Å; P169-S171 VanDerWaalsContact C-N 3.35Å; S171-R173 VanDerWaalsContact O-CZ 3.26Å; S171-R173 PolarHBondContact O-NH1 3.22Å; S171-R173 PolarHBondContact O-NH2 2.93Å |
| 172 | P | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | trans | -65 | 142.4 | 172.4 | -18.9 | 33.6 | 0 | 0 | 0 | 110.6 | T153 A174 I175 A579 A583 T584 V586 | T153-P172 WeakPolarHBondContact CB-O 3.31Å; T153-P172 VanDerWaalsContact CG2-O 3.27Å; T153-P172 WeakPolarHBondContact CG2-O 3.23Å; T153-P172 PolarHBondContact OG1-O 3.36Å; P172-A174 VanDerWaalsContact C-N 3.26Å; P172-A174 WeakPolarHBondContact CB-O 3.25Å; P172-I175 HydrophobicContact CB-CG1 4.45Å; P172-A579 WeakPolarHBondContact CD-O 3.41Å; P172-A579 HydrophobicContact CG-CB 4.02Å; P172-A579 VanDerWaalsContact CG-O 3.29Å; P172-A579 WeakPolarHBondContact CG-O 3.35Å; P172-A583 WeakPolarHBondContact CA-O 3.27Å; P172-T584 CarbonylContact C-O 3.5Å; P172-T584 WeakPolarHBondContact CA-O 3.28Å; P172-V586 HydrophobicContact CG-CG2 4.39Å | ||
| 173 | R | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -72.1 | -22.5 | 171.8 | -63.1 | -66.5 | 78.9 | 86.1 | 1.6 | 112.2 | Q99 M103 M148 E150 Q152 L154 L168 P169 S171 T584 | Q99-R173 HydrophobicContact CB-CG 3.66Å; Q99-R173 HydrophobicContact CG-CG 4.42Å; M103-R173 HydrophobicContact CE-CB 3.33Å; M103-R173 HydrophobicContact CE-CG 4.36Å; M103-R173 HydrophobicContact SD-CB 4.36Å; M148-R173 HydrophobicContact CE-CB 3.8Å; M148-R173 HydrophobicContact CE-CG 4.28Å; M148-R173 WeakPolarHBondContact CE-O 3.22Å; M148-R173 HydrophobicContact SD-CB 4.21Å; E150-R173 PolarHBondContact O-NH1 2.9Å; E150-R173 PolarHBondContact O-NH2 3.23Å; Q152-R173 PolarHBondContact O-NE 2.8Å; L154-R173 PolarHBondContact N-O 2.66Å; L168-R173 PolarHBondContact O-NH2 3.27Å; P169-R173 PolarHBondContact O-NH1 3.18Å; S171-R173 VanDerWaalsContact O-CZ 3.26Å; S171-R173 PolarHBondContact O-NH1 3.22Å; S171-R173 PolarHBondContact O-NH2 2.93Å; R173-T584 HydrophobicContact CG-CG2 4.4Å; R173-T584 PolarHBondContact N-O 3.46Å |
| 174 | A | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M103 L154 P172 I176 W585 V586 | M103-A174 HydrophobicContact CE-CB 4.37Å; M103-A174 HydrophobicContact SD-CB 3.72Å; L154-A174 HydrophobicContact CB-CB 4.33Å; L154-A174 VanDerWaalsContact O-CA 3.25Å; L154-A174 WeakPolarHBondContact O-CA 3.23Å; P172-A174 VanDerWaalsContact C-N 3.26Å; P172-A174 WeakPolarHBondContact CB-O 3.25Å; A174-I176 HydrophobicContact CB-CG1 4.45Å; A174-W585 HydrophobicContact CB-CB 3.99Å; A174-W585 VanDerWaalsContact O-CA 3.27Å; A174-W585 WeakPolarHBondContact O-CA 3.27Å; A174-W585 WeakPolarHBondContact O-CB 3.37Å; A174-V586 PolarHBondContact O-N 3.34Å |
| 175 | I | 98.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122 | 169.9 | -62.3 | 172.4 | 0 | 0 | 0 | 107.7 | T153 L154 M156 P172 F575 V586 | T153-I175 HydrophobicContact CG2-CB 4.44Å; T153-I175 HydrophobicContact CG2-CD1 3.86Å; T153-I175 HydrophobicContact CG2-CG1 3.76Å; L154-I175 PolarHBondContact O-N 3.43Å; M156-I175 PolarHBondContact N-O 2.94Å; P172-I175 HydrophobicContact CB-CG1 4.45Å; I175-F575 HydrophobicContact CG2-CE2 4.18Å; I175-F575 HydrophobicContact CG2-CZ 3.57Å; I175-V586 HydrophobicContact CB-CG2 4.48Å; I175-V586 HydrophobicContact CG1-CG2 4.15Å; I175-V586 HydrophobicContact CG2-CG2 4.29Å |
| 176 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.4 | -169.5 | -51.8 | 164.8 | 0 | 0 | 0 | 110.9 | M156 A174 N178 Y210 V586 A587 L588 | M156-I176 HydrophobicContact CB-CB 4.36Å; M156-I176 HydrophobicContact CB-CG1 4.17Å; M156-I176 HydrophobicContact CB-CG2 4.28Å; M156-I176 HydrophobicContact CG-CG1 4.16Å; A174-I176 HydrophobicContact CB-CG1 4.45Å; I176-N178 WeakPolarHBondContact CG2-ND2 3.04Å; I176-Y210 HydrophobicContact CD1-CD2 3.74Å; I176-Y210 HydrophobicContact CD1-CE2 3.39Å; I176-Y210 HydrophobicContact CG1-CE2 4.25Å; I176-V586 WeakPolarHBondContact CB-O 3.21Å; I176-V586 PolarHBondContact N-O 3.01Å; I176-A587 HydrophobicContact CB-CB 3.96Å; I176-A587 HydrophobicContact CD1-CB 4.46Å; I176-A587 HydrophobicContact CG2-CB 4.37Å; I176-A587 CarbonylContact O-C 3.21Å; I176-A587 VanDerWaalsContact O-CA 3.26Å; I176-A587 WeakPolarHBondContact O-CA 3.33Å; I176-L588 PolarHBondContact O-N 2.76Å |
| 177 | T | 98.9 | Very high | 97.5 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.5 | 165.5 | 56.8 | 0 | 0 | 0 | 0 | 109.2 | M156 S158 M180 L588 | M156-T177 PolarHBondContact O-N 3.01Å; M156-T177 VanDerWaalsContact O-N 3.09Å; M156-T177 PolarHBondContact O-OG1 2.88Å; M156-T177 VanDerWaalsContact O-OG1 3.07Å; S158-T177 VanDerWaalsContact CA-O 3.24Å; S158-T177 WeakPolarHBondContact CA-O 3.48Å; S158-T177 PolarHBondContact N-O 3.02Å; T177-M180 HydrophobicContact CG2-CG 4.16Å; T177-L588 VanDerWaalsContact CA-O 3.3Å; T177-L588 WeakPolarHBondContact CA-O 3.28Å |
| 178 | N | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.5 | 173.8 | -69.5 | -58.6 | 0 | 0 | 0 | 110.3 | S158 G159 I176 M180 G208 L588 H589 N590 | S158-N178 WeakPolarHBondContact CA-OD1 3.5Å; G159-N178 PolarHBondContact N-OD1 3.38Å; I176-N178 WeakPolarHBondContact CG2-ND2 3.04Å; N178-M180 VanDerWaalsContact C-N 3.3Å; N178-M180 PolarHBondContact O-N 2.93Å; N178-G208 WeakPolarHBondContact ND2-CA 3.11Å; N178-G208 PolarHBondContact ND2-O 2.76Å; N178-G208 VanDerWaalsContact ND2-O 3.08Å; N178-L588 PolarHBondContact N-O 3.24Å; N178-H589 PolarHBondContact ND2-CD2 2.86Å; N178-H589 PolarHBondContact ND2-NE2 3.24Å; N178-H589 CarbonylContact O-C 3.39Å; N178-H589 VanDerWaalsContact O-CA 3.28Å; N178-H589 WeakPolarHBondContact O-CA 3.35Å; N178-N590 PolarHBondContact O-N 2.73Å |
| 179 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 75.4 | 14.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S158 V181 S200 M201 N590 | S158-G179 PolarHBondContact OG-N 2.88Å; G179-V181 WeakPolarHBondContact O-CG2 3.27Å; G179-V181 PolarHBondContact O-N 3.34Å; G179-S200 WeakPolarHBondContact CA-OG 3.22Å; G179-M201 PolarHBondContact N-O 3.38Å; G179-N590 WeakPolarHBondContact O-CB 3.5Å; G179-N590 PolarHBondContact O-ND2 3.35Å |
| 180 | M | 98.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | trans | -64.9 | 118 | 175.7 | -67.7 | -60.9 | 100.9 | 0 | 0 | 110.1 | T177 N178 L588 H589 N590 I600 | T177-M180 HydrophobicContact CG2-CG 4.16Å; N178-M180 VanDerWaalsContact C-N 3.3Å; N178-M180 PolarHBondContact O-N 2.93Å; M180-L588 HydrophobicContact CE-CG 4.25Å; M180-L588 HydrophobicContact SD-CD2 3.86Å; M180-L588 HydrophobicContact SD-CG 4.03Å; M180-H589 WeakPolarHBondContact CE-O 2.97Å; M180-N590 HydrophobicContact CE-CB 3.62Å; M180-I600 HydrophobicContact CE-CD1 4.26Å | ||
| 181 | V | 96.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 21% | 0.212 | 27% | 0.266 | C | S | . | . | trans | -138.4 | 146.9 | -174.6 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | G179 M194 W596 | G179-V181 WeakPolarHBondContact O-CG2 3.27Å; G179-V181 PolarHBondContact O-N 3.34Å; V181-M194 HydrophobicContact CG1-CE 4.09Å; V181-M194 HydrophobicContact CG1-SD 4.42Å; V181-M194 HydrophobicContact CG2-CE 3.75Å; V181-M194 HydrophobicContact CG2-SD 3.87Å; V181-W596 HydrophobicContact CG2-CH2 4.26Å; V181-W596 HydrophobicContact CG2-CZ2 3.7Å | ||
| 182 | I | 98.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 61% | 0.61 | 26% | 0.264 | S | S | * | . | trans | -56.6 | 126.3 | 172.2 | -60 | -57.9 | 0 | 0 | 0 | 108.5 | N184 Y185 | I182-N184 VanDerWaalsContact C-N 3.31Å; I182-N184 PolarHBondContact O-N 3.48Å; I182-Y185 HydrophobicContact CB-CD2 3.94Å; I182-Y185 HydrophobicContact CG2-CD2 3.87Å; I182-Y185 HydrophobicContact CG2-CE2 4.22Å; I182-Y185 WeakPolarHBondContact O-CA 3.38Å; I182-Y185 PolarHBondContact O-N 2.95Å | ||
| 183 | P | 96.9 | Very high | 96.5 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -48.5 | -45.2 | -164.4 | -33.5 | 35.8 | 0 | 0 | 0 | 115.4 | Y185 S186 | P183-Y185 PolarHBondContact O-N 3.39Å; P183-S186 WeakPolarHBondContact O-CB 3.48Å; P183-S186 PolarHBondContact O-N 2.81Å |
| 184 | N | 97.6 | Very high | 96.4 | Very high | 154 Ų | 154 | 55.1 Ų | 55.1 | 82% | 0.824 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -64.4 | -10.5 | -179.8 | -69.4 | -8.6 | 0 | 0 | 0 | 114.8 | I182 | I182-N184 VanDerWaalsContact C-N 3.31Å; I182-N184 PolarHBondContact O-N 3.48Å |
| 185 | Y | 97.1 | Very high | 96.3 | Very high | 143 Ų | 143 | 55 Ų | 55 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -113.3 | 7.6 | 178.7 | -58.4 | -87 | 0 | 0 | 0 | 112.4 | I182 P183 S187 Q190 | I182-Y185 HydrophobicContact CB-CD2 3.94Å; I182-Y185 HydrophobicContact CG2-CD2 3.87Å; I182-Y185 HydrophobicContact CG2-CE2 4.22Å; I182-Y185 WeakPolarHBondContact O-CA 3.38Å; I182-Y185 PolarHBondContact O-N 2.95Å; P183-Y185 PolarHBondContact O-N 3.39Å; Y185-S187 PolarHBondContact O-N 3.45Å; Y185-Q190 WeakPolarHBondContact O-CB 3.49Å |
| 186 | S | 96.7 | Very high | 96.3 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | trans | -87 | 34.8 | -177.9 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | P183 N590 W596 G597 | P183-S186 WeakPolarHBondContact O-CB 3.48Å; P183-S186 PolarHBondContact O-N 2.81Å; S186-N590 PolarHBondContact OG-ND2 3.4Å; S186-W596 PolarHBondContact O-NE1 2.82Å; S186-W596 PolarHBondContact OG-NE1 3.29Å; S186-G597 WeakPolarHBondContact OG-CA 3.41Å | ||
| 187 | S | 94.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | trans | -80.3 | 159.3 | 173.9 | 83 | 0 | 0 | 0 | 0 | 111.6 | Y185 E189 Q190 Y191 W596 | Y185-S187 PolarHBondContact O-N 3.45Å; S187-E189 VanDerWaalsContact C-N 3.32Å; S187-E189 PolarHBondContact O-N 2.77Å; S187-Q190 PolarHBondContact O-N 3.16Å; S187-Q190 WeakPolarHBondContact OG-CG 3.31Å; S187-Q190 PolarHBondContact OG-N 3.28Å; S187-Y191 PolarHBondContact O-N 2.88Å; S187-W596 PolarHBondContact O-NE1 3.22Å | ||
| 188 | R | 90.4 | Very high | 96.2 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 179.2 | -60.9 | 178.7 | 65.6 | -164.4 | -9.8 | 112.5 | Y191 E192 H347 N348 E410 W596 | R188-Y191 WeakPolarHBondContact O-CB 3.26Å; R188-Y191 PolarHBondContact O-N 3.23Å; R188-E192 PolarHBondContact O-N 3.01Å; R188-E192 VanDerWaalsContact O-N 3.1Å; R188-H347 PolarHBondContact NH1-O 3.33Å; R188-H347 PolarHBondContact NH2-O 3.15Å; R188-N348 VanDerWaalsContact NH2-CA 3.3Å; R188-E410 IonicContact NH1-OE1 3.05Å; R188-W596 HydrophobicContact CG-CB 4.38Å |
| 189 | E | 90.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 56.5 Ų | 56.5 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 172.7 | -175 | -169.4 | 163.1 | 0 | 0 | 111.3 | S187 Y191 E192 R193 | S187-E189 VanDerWaalsContact C-N 3.32Å; S187-E189 PolarHBondContact O-N 2.77Å; E189-Y191 VanDerWaalsContact C-N 3.32Å; E189-Y191 PolarHBondContact O-N 2.98Å; E189-E192 PolarHBondContact O-N 3.18Å; E189-R193 PolarHBondContact O-N 3.2Å; E189-R193 IonicContact OE1-CZ 3.87Å; E189-R193 IonicContact OE1-NH1 2.66Å; E189-R193 PolarHBondContact OE1-NH1 2.88Å; E189-R193 IonicContact OE1-NH2 3.12Å; E189-R193 PolarHBondContact OE1-NH2 3.48Å |
| 190 | Q | 94.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 176.7 | -68.7 | -64.1 | -19.7 | 0 | 0 | 111.3 | Y185 S187 R193 M194 | Y185-Q190 WeakPolarHBondContact O-CB 3.49Å; S187-Q190 PolarHBondContact O-N 3.16Å; S187-Q190 WeakPolarHBondContact OG-CG 3.31Å; S187-Q190 PolarHBondContact OG-N 3.28Å; Q190-R193 PolarHBondContact O-N 3.41Å; Q190-M194 VanDerWaalsContact C-CE 3.48Å; Q190-M194 HydrophobicContact CB-CE 3.87Å; Q190-M194 WeakPolarHBondContact O-CB 3.48Å; Q190-M194 VanDerWaalsContact O-CE 3.31Å; Q190-M194 WeakPolarHBondContact O-CE 3.33Å; Q190-M194 WeakPolarHBondContact O-CG 3.23Å; Q190-M194 PolarHBondContact O-N 3.45Å |
| 191 | Y | 94.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.4 | -51.9 | 172.1 | 161.2 | -111.5 | 0 | 0 | 0 | 112.5 | R32 N128 S187 R188 E189 R193 M194 F195 Y202 W596 | R32-Y191 PolarHBondContact NH1-OH 3Å; R32-Y191 VanDerWaalsContact NH1-OH 3.11Å; R32-Y191 PolarHBondContact NH2-OH 3.17Å; N128-Y191 PolarHBondContact ND2-OH 3.42Å; S187-Y191 PolarHBondContact O-N 2.88Å; R188-Y191 WeakPolarHBondContact O-CB 3.26Å; R188-Y191 PolarHBondContact O-N 3.23Å; E189-Y191 VanDerWaalsContact C-N 3.32Å; E189-Y191 PolarHBondContact O-N 2.98Å; Y191-R193 PolarHBondContact O-N 3.41Å; Y191-M194 PolarHBondContact O-N 3Å; Y191-F195 HydrophobicContact CD2-CB 4.31Å; Y191-F195 HydrophobicContact CE2-CB 3.93Å; Y191-F195 HydrophobicContact CE2-CG 4.34Å; Y191-F195 VanDerWaalsContact O-CB 3.25Å; Y191-F195 WeakPolarHBondContact O-CB 3.41Å; Y191-F195 PolarHBondContact O-N 2.56Å; Y191-Y202 WeakPolarHBondContact OH-CB 3.47Å; Y191-W596 AromaticContact CD2-CD2 4Å; Y191-W596 HydrophobicContact CD2-CD2 4Å; Y191-W596 AromaticContact CD2-CE3 3.62Å; Y191-W596 HydrophobicContact CD2-CE3 3.62Å; Y191-W596 AromaticContact CD2-CH2 3.72Å; Y191-W596 HydrophobicContact CD2-CH2 3.72Å; Y191-W596 HydrophobicContact CD2-CZ2 4.13Å; Y191-W596 AromaticContact CD2-CZ3 3.48Å; Y191-W596 HydrophobicContact CD2-CZ3 3.48Å; Y191-W596 VanDerWaalsContact CD2-CZ3 3.48Å; Y191-W596 HydrophobicContact CE2-CE3 4.21Å; Y191-W596 HydrophobicContact CE2-CZ3 4.01Å; Y191-W596 AromaticContact CG-CD2 3.92Å; Y191-W596 HydrophobicContact CG-CD2 3.92Å; Y191-W596 AromaticContact CG-CE3 3.98Å; Y191-W596 HydrophobicContact CG-CE3 3.98Å; Y191-W596 HydrophobicContact CG-CG 4.3Å; Y191-W596 HydrophobicContact CG-CH2 4.45Å; Y191-W596 HydrophobicContact CG-CZ2 4.45Å; Y191-W596 HydrophobicContact CG-CZ3 4.26Å |
| 192 | E | 92 | Very high | 96.2 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | -178.5 | -65.2 | -60.3 | 159 | 0 | 0 | 111.3 | R32 R188 E189 A196 | R32-E192 IonicContact CZ-OE2 2.86Å; R32-E192 IonicContact NH1-OE1 3.06Å; R32-E192 PolarHBondContact NH1-OE1 3.35Å; R32-E192 IonicContact NH1-OE2 2.7Å; R32-E192 PolarHBondContact NH1-OE2 2.63Å; R188-E192 PolarHBondContact O-N 3.01Å; R188-E192 VanDerWaalsContact O-N 3.1Å; E189-E192 PolarHBondContact O-N 3.18Å; E192-A196 WeakPolarHBondContact O-CB 3.38Å; E192-A196 PolarHBondContact O-N 2.79Å; E192-A196 VanDerWaalsContact O-N 3.16Å |
| 193 | R | 95.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -53.2 | 172.4 | -71.1 | -176.4 | 173.3 | 129.8 | 8.6 | 112.4 | L36 E189 Q190 Y191 F195 A196 L197 | L36-R193 HydrophobicContact CD2-CB 4.34Å; L36-R193 HydrophobicContact CD2-CG 4.23Å; E189-R193 PolarHBondContact O-N 3.2Å; E189-R193 IonicContact OE1-CZ 3.87Å; E189-R193 IonicContact OE1-NH1 2.66Å; E189-R193 PolarHBondContact OE1-NH1 2.88Å; E189-R193 IonicContact OE1-NH2 3.12Å; E189-R193 PolarHBondContact OE1-NH2 3.48Å; Q190-R193 PolarHBondContact O-N 3.41Å; Y191-R193 PolarHBondContact O-N 3.41Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.18Å; R193-A196 PolarHBondContact O-N 3.28Å; R193-L197 WeakPolarHBondContact O-CB 3.4Å; R193-L197 VanDerWaalsContact O-CG 3.25Å; R193-L197 WeakPolarHBondContact O-CG 3.21Å; R193-L197 PolarHBondContact O-N 3.11Å |
| 194 | M | 97.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 15% | 0.148 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -36.8 | -178.1 | -78.1 | -174.9 | -74.4 | 0 | 0 | 112.6 | V181 Q190 Y191 G198 V199 S200 W596 | V181-M194 HydrophobicContact CG1-CE 4.09Å; V181-M194 HydrophobicContact CG1-SD 4.42Å; V181-M194 HydrophobicContact CG2-CE 3.75Å; V181-M194 HydrophobicContact CG2-SD 3.87Å; Q190-M194 VanDerWaalsContact C-CE 3.48Å; Q190-M194 HydrophobicContact CB-CE 3.87Å; Q190-M194 WeakPolarHBondContact O-CB 3.48Å; Q190-M194 VanDerWaalsContact O-CE 3.31Å; Q190-M194 WeakPolarHBondContact O-CE 3.33Å; Q190-M194 WeakPolarHBondContact O-CG 3.23Å; Q190-M194 PolarHBondContact O-N 3.45Å; Y191-M194 PolarHBondContact O-N 3Å; M194-G198 PolarHBondContact O-N 3.2Å; M194-V199 HydrophobicContact CB-CG2 3.76Å; M194-V199 HydrophobicContact CG-CG2 3.89Å; M194-V199 VanDerWaalsContact O-CG2 3.27Å; M194-V199 WeakPolarHBondContact O-CG2 3.44Å; M194-V199 PolarHBondContact O-N 3.07Å; M194-S200 PolarHBondContact O-N 2.84Å; M194-W596 HydrophobicContact CE-CZ2 3.99Å |
| 195 | F | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -53 | 175.8 | 178.6 | -114.8 | 0 | 0 | 0 | 110.7 | R32 H73 Y75 Y191 R193 L197 G198 S200 M201 | R32-F195 VanDerWaalsContact CZ-CE1 3.45Å; H73-F195 HydrophobicContact CB-CE1 3.92Å; H73-F195 HydrophobicContact CB-CZ 4.41Å; H73-F195 AromaticContact CD2-CE1 3.88Å; H73-F195 AromaticContact CD2-CZ 3.49Å; H73-F195 VanDerWaalsContact CD2-CZ 3.49Å; H73-F195 WeakPolarHBondContact CD2-CZ 3.4Å; H73-F195 AromaticContact CE1-CE1 3.89Å; H73-F195 AromaticContact CE1-CE2 3.56Å; H73-F195 AromaticContact CE1-CZ 3.52Å; H73-F195 PolarHBondContact CE1-O 3.13Å; H73-F195 AromaticContact CG-CE1 3.47Å; H73-F195 VanDerWaalsContact CG-CE1 3.47Å; H73-F195 AromaticContact CG-CZ 3.57Å; H73-F195 AromaticContact ND1-CD1 3.83Å; H73-F195 AromaticContact ND1-CE1 3.52Å; H73-F195 AromaticContact ND1-CZ 3.64Å; H73-F195 PolarHBondContact ND1-O 2.89Å; H73-F195 AromaticContact NE2-CE2 3.67Å; H73-F195 AromaticContact NE2-CZ 3.43Å; H73-F195 WeakPolarHBondContact NE2-CZ 3.44Å; Y75-F195 HydrophobicContact CE1-CZ 4.46Å; Y191-F195 HydrophobicContact CD2-CB 4.31Å; Y191-F195 HydrophobicContact CE2-CB 3.93Å; Y191-F195 HydrophobicContact CE2-CG 4.34Å; Y191-F195 VanDerWaalsContact O-CB 3.25Å; Y191-F195 WeakPolarHBondContact O-CB 3.41Å; Y191-F195 PolarHBondContact O-N 2.56Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.18Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 2.79Å; F195-G198 WeakPolarHBondContact O-CA 3.46Å; F195-G198 PolarHBondContact O-N 2.71Å; F195-S200 WeakPolarHBondContact CD2-O 3.44Å; F195-M201 HydrophobicContact CD2-CB 4.27Å; F195-M201 HydrophobicContact CE2-CB 4.44Å |
| 196 | A | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P34 L36 L68 E192 R193 G198 | P34-A196 HydrophobicContact CB-CB 3.57Å; P34-A196 HydrophobicContact CG-CB 3.62Å; L36-A196 HydrophobicContact CD1-CB 3.96Å; L36-A196 HydrophobicContact CD2-CB 4.4Å; L36-A196 HydrophobicContact CG-CB 4.39Å; L68-A196 HydrophobicContact CD1-CB 4.48Å; E192-A196 WeakPolarHBondContact O-CB 3.38Å; E192-A196 PolarHBondContact O-N 2.79Å; E192-A196 VanDerWaalsContact O-N 3.16Å; R193-A196 PolarHBondContact O-N 3.28Å; A196-G198 PolarHBondContact O-N 2.82Å |
| 197 | L | 98.5 | Very high | 96.1 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -10.4 | 171.8 | -71.6 | 175.4 | 0 | 0 | 0 | 113.4 | E40 L43 A44 N47 R193 F195 V199 | E40-L197 HydrophobicContact CB-CD2 4.13Å; E40-L197 WeakPolarHBondContact O-CD2 3.34Å; L43-L197 HydrophobicContact CB-CD2 4.09Å; L43-L197 HydrophobicContact CD2-CD2 4.08Å; L43-L197 HydrophobicContact CG-CD2 4.09Å; A44-L197 HydrophobicContact CB-CD2 4.1Å; N47-L197 VanDerWaalsContact CB-O 3.25Å; N47-L197 WeakPolarHBondContact CB-O 3.44Å; N47-L197 PolarHBondContact ND2-O 3.23Å; R193-L197 WeakPolarHBondContact O-CB 3.4Å; R193-L197 VanDerWaalsContact O-CG 3.25Å; R193-L197 WeakPolarHBondContact O-CG 3.21Å; R193-L197 PolarHBondContact O-N 3.11Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 2.79Å; L197-V199 HydrophobicContact CB-CG1 4.4Å; L197-V199 HydrophobicContact CB-CG2 4.16Å |
| 198 | G | 98 | Very high | 96.3 | Very high | 20 Ų | 20 | 24 Ų | 24 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 29.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M194 F195 A196 | M194-G198 PolarHBondContact O-N 3.2Å; F195-G198 WeakPolarHBondContact O-CA 3.46Å; F195-G198 PolarHBondContact O-N 2.71Å; A196-G198 PolarHBondContact O-N 2.82Å |
| 199 | V | 98.2 | Very high | 96.7 | Very high | 75 Ų | 75 | 21 Ų | 21 | 46% | 0.455 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -110.9 | -9 | -179.5 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | M194 L197 | M194-V199 HydrophobicContact CB-CG2 3.76Å; M194-V199 HydrophobicContact CG-CG2 3.89Å; M194-V199 VanDerWaalsContact O-CG2 3.27Å; M194-V199 WeakPolarHBondContact O-CG2 3.44Å; M194-V199 PolarHBondContact O-N 3.07Å; L197-V199 HydrophobicContact CB-CG1 4.4Å; L197-V199 HydrophobicContact CB-CG2 4.16Å |
| 200 | S | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | trans | -151.5 | 170.2 | 173.7 | -152.8 | 0 | 0 | 0 | 0 | 111.5 | G179 M194 F195 | G179-S200 WeakPolarHBondContact CA-OG 3.22Å; M194-S200 PolarHBondContact O-N 2.84Å; F195-S200 WeakPolarHBondContact CD2-O 3.44Å | ||
| 201 | M | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -154.5 | 156.4 | 171.3 | 60.3 | 172.3 | -97.7 | 0 | 0 | 110.1 | Q130 F132 S158 G179 F195 | Q130-M201 VanDerWaalsContact C-CE 3.42Å; Q130-M201 HydrophobicContact CB-CE 3.8Å; Q130-M201 WeakPolarHBondContact O-CE 3.39Å; F132-M201 VanDerWaalsContact CA-SD 3.59Å; S158-M201 VanDerWaalsContact C-CG 3.46Å; S158-M201 VanDerWaalsContact C-SD 3.58Å; S158-M201 WeakPolarHBondContact O-CG 3.38Å; G179-M201 PolarHBondContact N-O 3.38Å; F195-M201 HydrophobicContact CD2-CB 4.27Å; F195-M201 HydrophobicContact CE2-CB 4.44Å | ||
| 202 | Y | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 1% | 0.012 | 7% | 0.071 | C | C | . | . | trans | -91.3 | 111.9 | 174.1 | 178.3 | -123.4 | 0 | 0 | 0 | 110.2 | N128 G129 Q130 Y191 Q204 N590 G591 W596 | N128-Y202 WeakPolarHBondContact OD1-CD1 3.36Å; N128-Y202 WeakPolarHBondContact OD1-CE1 3.23Å; G129-Y202 CarbonylContact C-O 3.51Å; G129-Y202 WeakPolarHBondContact CA-O 3.41Å; Q130-Y202 PolarHBondContact N-O 2.78Å; Y191-Y202 WeakPolarHBondContact OH-CB 3.47Å; Y202-Q204 HydrophobicContact CE1-CB 4.05Å; Y202-Q204 HydrophobicContact CE1-CG 3.91Å; Y202-N590 WeakPolarHBondContact CD2-O 3.15Å; Y202-N590 WeakPolarHBondContact CE2-O 3.4Å; Y202-G591 WeakPolarHBondContact CE2-O 3.47Å; Y202-G591 PolarHBondContact OH-O 2.91Å; Y202-W596 AromaticContact CD2-CE3 3.99Å; Y202-W596 HydrophobicContact CD2-CE3 3.99Å | ||
| 203 | G | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -86.6 | -0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | M205 A207 G208 | G203-M205 PolarHBondContact O-N 2.98Å; G203-A207 WeakPolarHBondContact O-CB 3.42Å; G203-A207 PolarHBondContact O-N 3.22Å; G203-G208 PolarHBondContact O-N 3.23Å | ||
| 204 | Q | 95.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 8.9 Ų | 8.9 | 3% | 0.033 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | -129.3 | -168.3 | -142.3 | -76.7 | -19.6 | 0 | 0 | 109.4 | Y125 Y202 A207 H589 N601 | Y125-Q204 HydrophobicContact CD2-CG 4.25Å; Y125-Q204 HydrophobicContact CE2-CB 4.33Å; Y125-Q204 HydrophobicContact CE2-CG 3.64Å; Y125-Q204 PolarHBondContact OH-OE1 3.38Å; Y202-Q204 HydrophobicContact CE1-CB 4.05Å; Y202-Q204 HydrophobicContact CE1-CG 3.91Å; Q204-A207 HydrophobicContact CB-CB 4.35Å; Q204-H589 WeakPolarHBondContact O-CB 3.48Å; Q204-H589 PolarHBondContact O-ND1 2.96Å; Q204-N601 PolarHBondContact O-ND2 3.29Å |
| 205 | M | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -70.2 | 172 | -60.3 | -177.5 | 163.4 | 0 | 0 | 108.1 | G203 S209 D543 H544 H545 H589 | G203-M205 PolarHBondContact O-N 2.98Å; M205-S209 PolarHBondContact O-OG 3.18Å; M205-D543 WeakPolarHBondContact CB-OD1 3.29Å; M205-H544 HydrophobicContact CB-CB 3.75Å; M205-H544 HydrophobicContact CG-CB 3.77Å; M205-H544 PolarHBondContact O-CE1 2.96Å; M205-H544 PolarHBondContact O-NE2 3.39Å; M205-H544 HydrophobicContact SD-CB 4.04Å; M205-H545 HydrophobicContact CE-CB 4.24Å; M205-H545 HydrophobicContact SD-CB 4.04Å; M205-H589 PolarHBondContact O-CE1 3.25Å; M205-H589 PolarHBondContact O-ND1 3.36Å; M205-H589 VanDerWaalsContact O-ND1 3.16Å |
| 206 | T | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -6.3 | -169.3 | 63.8 | 0 | 0 | 0 | 0 | 114.6 | N110 Y125 S209 Y210 C211 Y212 R450 D543 | N110-T206 PolarHBondContact ND2-O 2.99Å; Y125-T206 WeakPolarHBondContact CE1-OG1 3.41Å; Y125-T206 PolarHBondContact OH-N 2.94Å; Y125-T206 PolarHBondContact OH-OG1 2.8Å; T206-S209 WeakPolarHBondContact CA-OG 3.4Å; T206-Y210 PolarHBondContact O-N 3.34Å; T206-C211 VanDerWaalsContact CB-SG 3.6Å; T206-C211 PolarHBondContact O-N 3.07Å; T206-C211 VanDerWaalsContact O-N 3.08Å; T206-Y212 PolarHBondContact O-N 3.08Å; T206-Y212 WeakPolarHBondContact OG1-CB 3.38Å; T206-Y212 VanDerWaalsContact OG1-CD2 3.3Å; T206-Y212 WeakPolarHBondContact OG1-CD2 3.35Å; T206-R450 VanDerWaalsContact CG2-NH1 3.28Å; T206-D543 HydrophobicContact CG2-CB 4.16Å; T206-D543 WeakPolarHBondContact CG2-OD1 3.28Å |
| 207 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -56.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N110 Y125 G129 Q130 G203 Q204 S209 | N110-A207 PolarHBondContact ND2-O 3.43Å; Y125-A207 HydrophobicContact CD1-CB 4.13Å; Y125-A207 HydrophobicContact CE1-CB 3.83Å; G129-A207 WeakPolarHBondContact O-CB 3.36Å; Q130-A207 CarbonylContact O-C 3.51Å; G203-A207 WeakPolarHBondContact O-CB 3.42Å; G203-A207 PolarHBondContact O-N 3.22Å; Q204-A207 HydrophobicContact CB-CB 4.35Å; A207-S209 VanDerWaalsContact C-N 3.33Å; A207-S209 PolarHBondContact O-N 3.11Å |
| 208 | G | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -10.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q130 N178 G203 Y210 | Q130-G208 VanDerWaalsContact O-CA 3.3Å; Q130-G208 WeakPolarHBondContact O-CA 3.46Å; Q130-G208 PolarHBondContact O-N 2.78Å; Q130-G208 VanDerWaalsContact O-N 3.17Å; N178-G208 WeakPolarHBondContact ND2-CA 3.11Å; N178-G208 PolarHBondContact ND2-O 2.76Å; N178-G208 VanDerWaalsContact ND2-O 3.08Å; G203-G208 PolarHBondContact O-N 3.23Å; G208-Y210 WeakPolarHBondContact O-CE1 3.46Å |
| 209 | S | 98.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.007 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 7.1 | 177.5 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | M205 T206 A207 C211 H544 W585 A587 H589 | M205-S209 PolarHBondContact O-OG 3.18Å; T206-S209 WeakPolarHBondContact CA-OG 3.4Å; A207-S209 VanDerWaalsContact C-N 3.33Å; A207-S209 PolarHBondContact O-N 3.11Å; S209-C211 PolarHBondContact OG-SG 3.37Å; S209-H544 PolarHBondContact OG-NE2 2.83Å; S209-W585 PolarHBondContact O-NE1 3.47Å; S209-A587 VanDerWaalsContact CB-CB 3.42Å; S209-H589 PolarHBondContact N-CE1 2.8Å |
| 210 | Y | 98.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 4.4 Ų | 4.4 | 2% | 0.016 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 47.5 | 171.3 | -38.5 | -40.6 | 0 | 0 | 0 | 112.6 | M106 I107 V131 F132 I176 T206 G208 | M106-Y210 WeakPolarHBondContact CB-O 3.36Å; M106-Y210 WeakPolarHBondContact CE-O 3.14Å; I107-Y210 HydrophobicContact CD1-CD2 3.95Å; I107-Y210 HydrophobicContact CD1-CE2 4.05Å; I107-Y210 HydrophobicContact CD1-CG 4.25Å; I107-Y210 HydrophobicContact CG1-CD1 3.71Å; I107-Y210 HydrophobicContact CG1-CD2 3.64Å; I107-Y210 HydrophobicContact CG1-CE1 4.18Å; I107-Y210 HydrophobicContact CG1-CE2 4.1Å; I107-Y210 HydrophobicContact CG1-CG 3.42Å; I107-Y210 VanDerWaalsContact CG1-CG 3.42Å; V131-Y210 HydrophobicContact CG1-CD1 3.69Å; V131-Y210 HydrophobicContact CG1-CE1 3.6Å; F132-Y210 HydrophobicContact CE1-CE1 4.15Å; F132-Y210 AromaticContact CE1-CZ 3.92Å; F132-Y210 VanDerWaalsContact CE1-OH 3.25Å; F132-Y210 WeakPolarHBondContact CE1-OH 3.4Å; F132-Y210 HydrophobicContact CZ-CE1 4.03Å; I176-Y210 HydrophobicContact CD1-CD2 3.74Å; I176-Y210 HydrophobicContact CD1-CE2 3.39Å; I176-Y210 HydrophobicContact CG1-CE2 4.25Å; T206-Y210 PolarHBondContact O-N 3.34Å; G208-Y210 WeakPolarHBondContact O-CE1 3.46Å |
| 211 | C | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.007 | 3% | 0.03 | C | C | . | . | trans | -143.3 | 18 | -179.7 | 67.7 | 0 | 0 | 0 | 0 | 115.5 | M106 T206 S209 R450 S541 | M106-C211 HydrophobicContact CE-CB 4.03Å; T206-C211 VanDerWaalsContact CB-SG 3.6Å; T206-C211 PolarHBondContact O-N 3.07Å; T206-C211 VanDerWaalsContact O-N 3.08Å; S209-C211 PolarHBondContact OG-SG 3.37Å; C211-R450 PolarHBondContact O-NE 3.44Å; C211-R450 VanDerWaalsContact O-NE 3.15Å; C211-R450 PolarHBondContact O-NH1 2.8Å; C211-R450 PolarHBondContact O-NH2 2.57Å; C211-S541 VanDerWaalsContact CB-OG 3.24Å; C211-S541 WeakPolarHBondContact CB-OG 3.37Å; C211-S541 PolarHBondContact SG-OG 3.36Å; C211-S541 VanDerWaalsContact SG-OG 3.4Å | ||
| 212 | Y | 96.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 4.8 Ų | 4.8 | 5% | 0.047 | 3% | 0.031 | C | C | . | . | trans | -71.1 | 136.6 | 176.7 | -173.5 | -108.6 | 0 | 0 | 0 | 110.5 | N109 N110 V115 T124 Y125 T206 | N109-Y212 PolarHBondContact ND2-O 3.48Å; N110-Y212 WeakPolarHBondContact OD1-CA 3.33Å; N110-Y212 WeakPolarHBondContact OD1-CB 3.39Å; N110-Y212 PolarHBondContact OD1-N 3.34Å; N110-Y212 PolarHBondContact OD1-O 3.07Å; V115-Y212 HydrophobicContact CG1-CD1 3.48Å; V115-Y212 VanDerWaalsContact CG1-CD1 3.48Å; V115-Y212 HydrophobicContact CG1-CE1 3.8Å; T124-Y212 HydrophobicContact CG2-CD1 3.37Å; T124-Y212 HydrophobicContact CG2-CE1 4.07Å; T124-Y212 HydrophobicContact CG2-CG 3.72Å; Y125-Y212 AromaticContact CD1-CD2 3.79Å; Y125-Y212 HydrophobicContact CD1-CD2 3.79Å; Y125-Y212 AromaticContact CD1-CE2 3.93Å; Y125-Y212 HydrophobicContact CD1-CE2 3.93Å; Y125-Y212 HydrophobicContact CD1-CG 4.14Å; Y125-Y212 AromaticContact CE1-CD2 3.59Å; Y125-Y212 HydrophobicContact CE1-CD2 3.59Å; Y125-Y212 HydrophobicContact CE1-CE2 4.04Å; Y125-Y212 HydrophobicContact CE1-CG 4.11Å; Y125-Y212 HydrophobicContact CG-CE2 4.22Å; T206-Y212 PolarHBondContact O-N 3.08Å; T206-Y212 WeakPolarHBondContact OG1-CB 3.38Å; T206-Y212 VanDerWaalsContact OG1-CD2 3.3Å; T206-Y212 WeakPolarHBondContact OG1-CD2 3.35Å | ||
| 213 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | trans | -120.6 | 24.8 | -176.6 | 79.3 | -165.7 | 0 | 0 | 0 | 112.4 | Q216 R450 V452 A508 I510 | I213-Q216 HydrophobicContact CD1-CG 3.95Å; I213-Q216 HydrophobicContact CG1-CG 3.73Å; I213-R450 HydrophobicContact CD1-CB 4.33Å; I213-R450 VanDerWaalsContact N-NH2 3.13Å; I213-V452 HydrophobicContact CG2-CG2 3.88Å; I213-A508 HydrophobicContact CB-CB 3.61Å; I213-A508 HydrophobicContact CD1-CB 4.05Å; I213-A508 HydrophobicContact CG1-CB 4.17Å; I213-A508 HydrophobicContact CG2-CB 3.65Å; I213-I510 HydrophobicContact CD1-CB 4.06Å; I213-I510 HydrophobicContact CD1-CG2 4.32Å | ||
| 214 | G | 88.9 | Confident | 92.8 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | trans | 76.5 | -165.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q216 | G214-Q216 VanDerWaalsContact C-N 3.34Å; G214-Q216 PolarHBondContact O-N 3.11Å | ||
| 215 | P | 84.7 | Confident | 92.7 | Very high | 14 Ų | 14 | 4.5 Ų | 4.5 | 9% | 0.091 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.2 | -162.9 | 34.3 | -40.2 | 0 | 0 | 0 | 114.7 | G217 I218 V219 W285 | P215-G217 PolarHBondContact O-N 3.23Å; P215-I218 PolarHBondContact O-N 2.82Å; P215-V219 PolarHBondContact O-N 2.97Å; P215-V219 VanDerWaalsContact O-N 3.08Å; P215-W285 HydrophobicContact CB-CH2 3.31Å; P215-W285 HydrophobicContact CB-CZ2 4.36Å; P215-W285 HydrophobicContact CB-CZ3 3.72Å; P215-W285 HydrophobicContact CG-CH2 3.09Å; P215-W285 HydrophobicContact CG-CZ2 3.68Å; P215-W285 HydrophobicContact CG-CZ3 3.86Å |
| 216 | Q | 86.7 | Confident | 92.6 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -59.4 | -31.3 | 179.8 | 63.4 | 175.1 | -53.9 | 0 | 0 | 113.8 | I213 G214 I218 V219 H220 M502 A508 R509 I510 | I213-Q216 HydrophobicContact CD1-CG 3.95Å; I213-Q216 HydrophobicContact CG1-CG 3.73Å; G214-Q216 VanDerWaalsContact C-N 3.34Å; G214-Q216 PolarHBondContact O-N 3.11Å; Q216-I218 VanDerWaalsContact C-N 3.3Å; Q216-I218 PolarHBondContact O-N 3.36Å; Q216-V219 PolarHBondContact O-N 3.05Å; Q216-H220 PolarHBondContact O-N 2.95Å; Q216-H220 VanDerWaalsContact O-N 3.07Å; Q216-M502 HydrophobicContact CB-CB 3.98Å; Q216-A508 PolarHBondContact NE2-O 3.04Å; Q216-A508 PolarHBondContact OE1-O 3.23Å; Q216-R509 VanDerWaalsContact OE1-NH1 3.17Å; Q216-I510 HydrophobicContact CG-CG2 4.3Å |
| 217 | G | 81.4 | Confident | 92.4 | Very high | 13 Ų | 13 | 4.7 Ų | 4.7 | 13% | 0.134 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P215 G221 | P215-G217 PolarHBondContact O-N 3.23Å; G217-G221 PolarHBondContact O-N 3.35Å; G217-G221 VanDerWaalsContact O-N 3.11Å |
| 218 | I | 85.4 | Confident | 92.2 | Very high | 28 Ų | 28 | 5.6 Ų | 5.6 | 14% | 0.144 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -75.6 | -37.9 | 176.7 | -46.7 | -59.3 | 0 | 0 | 0 | 110.2 | P215 Q216 H220 G221 T222 M252 A255 | P215-I218 PolarHBondContact O-N 2.82Å; Q216-I218 VanDerWaalsContact C-N 3.3Å; Q216-I218 PolarHBondContact O-N 3.36Å; I218-H220 VanDerWaalsContact C-N 3.3Å; I218-H220 PolarHBondContact O-N 3.28Å; I218-G221 PolarHBondContact O-N 2.81Å; I218-T222 WeakPolarHBondContact O-CB 3.21Å; I218-T222 PolarHBondContact O-N 3.37Å; I218-T222 PolarHBondContact O-OG1 3.04Å; I218-M252 HydrophobicContact CD1-CB 4.31Å; I218-M252 HydrophobicContact CD1-CG 4.06Å; I218-M252 HydrophobicContact CD1-SD 4.18Å; I218-M252 HydrophobicContact CG1-CB 3.95Å; I218-M252 HydrophobicContact CG1-CG 3.96Å; I218-M252 HydrophobicContact CG2-CB 4.29Å; I218-M252 WeakPolarHBondContact CG2-O 3.28Å; I218-A255 HydrophobicContact CB-CB 3.67Å; I218-A255 HydrophobicContact CG2-CB 3.71Å |
| 219 | V | 90.3 | Very high | 92 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | P215 Q216 M223 A255 K258 A259 I262 W285 W493 M502 | P215-V219 PolarHBondContact O-N 2.97Å; P215-V219 VanDerWaalsContact O-N 3.08Å; Q216-V219 PolarHBondContact O-N 3.05Å; V219-M223 VanDerWaalsContact O-CB 3.26Å; V219-M223 WeakPolarHBondContact O-CB 3.27Å; V219-M223 PolarHBondContact O-N 3.35Å; V219-A255 HydrophobicContact CB-CB 4.27Å; V219-A255 HydrophobicContact CG2-CB 3.47Å; V219-A255 VanDerWaalsContact CG2-CB 3.47Å; V219-K258 HydrophobicContact CG1-CB 4.14Å; V219-K258 HydrophobicContact CG1-CG 4.22Å; V219-K258 HydrophobicContact CG2-CB 4.22Å; V219-A259 HydrophobicContact CG1-CB 4.43Å; V219-I262 HydrophobicContact CG1-CD1 3.77Å; V219-W285 HydrophobicContact CG2-CH2 3.78Å; V219-W285 HydrophobicContact CG2-CZ2 4.44Å; V219-W285 HydrophobicContact CG2-CZ3 4.19Å; V219-W493 HydrophobicContact CB-CH2 4.21Å; V219-W493 HydrophobicContact CG1-CH2 4.06Å; V219-W493 HydrophobicContact CG1-CZ3 3.94Å; V219-M502 HydrophobicContact CB-SD 4.04Å; V219-M502 HydrophobicContact CG1-SD 3.8Å; V219-M502 HydrophobicContact CG2-SD 4.02Å |
| 220 | H | 90.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.4 | -55.4 | 176.7 | 174.4 | -109.9 | 0 | 0 | 0 | 112.1 | Q216 I218 T222 M223 L224 N490 W493 I510 Y512 | Q216-H220 PolarHBondContact O-N 2.95Å; Q216-H220 VanDerWaalsContact O-N 3.07Å; I218-H220 VanDerWaalsContact C-N 3.3Å; I218-H220 PolarHBondContact O-N 3.28Å; H220-T222 VanDerWaalsContact C-N 3.31Å; H220-T222 PolarHBondContact O-N 3.49Å; H220-M223 PolarHBondContact O-N 3.11Å; H220-L224 WeakPolarHBondContact CE1-CD1 3.47Å; H220-L224 WeakPolarHBondContact NE2-CD1 3.21Å; H220-L224 PolarHBondContact O-N 3.47Å; H220-N490 PolarHBondContact CE1-OD1 3Å; H220-N490 VanDerWaalsContact CE1-OD1 3.23Å; H220-N490 PolarHBondContact NE2-OD1 3.32Å; H220-W493 HydrophobicContact CB-CD2 4.14Å; H220-W493 HydrophobicContact CB-CE3 4.46Å; H220-W493 HydrophobicContact CB-CH2 3.92Å; H220-W493 HydrophobicContact CB-CZ2 3.64Å; H220-W493 HydrophobicContact CB-CZ3 4.35Å; H220-W493 AromaticContact CD2-CD1 3.44Å; H220-W493 VanDerWaalsContact CD2-CD1 3.44Å; H220-W493 AromaticContact CD2-CD2 3.56Å; H220-W493 AromaticContact CD2-CE2 3.75Å; H220-W493 AromaticContact CD2-CG 3.36Å; H220-W493 AromaticContact CD2-NE1 3.65Å; H220-W493 AromaticContact CG-CE2 3.96Å; H220-W493 AromaticContact CG-NE1 3.96Å; H220-W493 AromaticContact NE2-CD1 3.97Å; H220-I510 HydrophobicContact CB-CG2 4.3Å; H220-Y512 AromaticContact CE1-CD1 3.3Å; H220-Y512 WeakPolarHBondContact CE1-CD1 3.39Å; H220-Y512 AromaticContact CE1-CG 3.74Å; H220-Y512 PolarHBondContact CE1-N 3.48Å; H220-Y512 AromaticContact ND1-CD1 3.6Å; H220-Y512 AromaticContact ND1-CE1 3.95Å |
| 221 | G | 90.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 7.8 Ų | 7.8 | 11% | 0.113 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | G217 I218 L224 T225 | G217-G221 PolarHBondContact O-N 3.35Å; G217-G221 VanDerWaalsContact O-N 3.11Å; I218-G221 PolarHBondContact O-N 2.81Å; G221-L224 PolarHBondContact O-N 3.12Å; G221-T225 PolarHBondContact O-N 2.84Å; G221-T225 PolarHBondContact O-OG1 3.15Å; G221-T225 VanDerWaalsContact O-OG1 3.05Å |
| 222 | T | 92.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | I218 H220 L224 T225 V226 Q256 A259 Y403 | I218-T222 WeakPolarHBondContact O-CB 3.21Å; I218-T222 PolarHBondContact O-N 3.37Å; I218-T222 PolarHBondContact O-OG1 3.04Å; H220-T222 VanDerWaalsContact C-N 3.31Å; H220-T222 PolarHBondContact O-N 3.49Å; T222-L224 VanDerWaalsContact C-N 3.33Å; T222-L224 PolarHBondContact O-N 3.21Å; T222-T225 PolarHBondContact O-N 2.77Å; T222-V226 HydrophobicContact CG2-CG2 4.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.47Å; T222-V226 PolarHBondContact O-N 3.37Å; T222-Q256 HydrophobicContact CG2-CB 4.36Å; T222-Q256 HydrophobicContact CG2-CG 4.07Å; T222-A259 HydrophobicContact CG2-CB 3.57Å; T222-Y403 WeakPolarHBondContact CA-OH 3.29Å; T222-Y403 VanDerWaalsContact CB-OH 3.23Å; T222-Y403 WeakPolarHBondContact CB-OH 3.4Å; T222-Y403 HydrophobicContact CG2-CE2 4.41Å; T222-Y403 WeakPolarHBondContact CG2-OH 3.48Å; T222-Y403 PolarHBondContact OG1-OH 3.39Å |
| 223 | M | 93.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.02 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.6 | 175.8 | -84.3 | -72.1 | 0 | 0 | 110.4 | V219 H220 T225 V226 L227 A259 I262 A263 W493 | V219-M223 VanDerWaalsContact O-CB 3.26Å; V219-M223 WeakPolarHBondContact O-CB 3.27Å; V219-M223 PolarHBondContact O-N 3.35Å; H220-M223 PolarHBondContact O-N 3.11Å; M223-T225 PolarHBondContact O-N 3.36Å; M223-V226 PolarHBondContact O-N 3.07Å; M223-L227 HydrophobicContact CG-CD1 4.34Å; M223-L227 WeakPolarHBondContact O-CG 3.17Å; M223-L227 PolarHBondContact O-N 3.11Å; M223-L227 HydrophobicContact SD-CD1 3.33Å; M223-L227 WeakPolarHBondContact SD-CD1 3.39Å; M223-L227 HydrophobicContact SD-CG 4.1Å; M223-A259 HydrophobicContact CB-CB 4.18Å; M223-I262 HydrophobicContact CG-CB 4.29Å; M223-I262 HydrophobicContact CG-CG2 3.85Å; M223-A263 HydrophobicContact CG-CB 4.45Å; M223-W493 HydrophobicContact CE-CB 3.76Å; M223-W493 HydrophobicContact CE-CD2 4.34Å; M223-W493 HydrophobicContact CE-CE3 3.93Å; M223-W493 HydrophobicContact CE-CG 4.3Å |
| 224 | L | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.3 | -68.9 | -176.2 | 0 | 0 | 0 | 112.4 | H220 G221 T222 V226 L227 N228 D489 Y512 | H220-L224 WeakPolarHBondContact CE1-CD1 3.47Å; H220-L224 WeakPolarHBondContact NE2-CD1 3.21Å; H220-L224 PolarHBondContact O-N 3.47Å; G221-L224 PolarHBondContact O-N 3.12Å; T222-L224 VanDerWaalsContact C-N 3.33Å; T222-L224 PolarHBondContact O-N 3.21Å; L224-V226 PolarHBondContact O-N 2.85Å; L224-L227 PolarHBondContact O-N 3.09Å; L224-N228 WeakPolarHBondContact O-CB 3.38Å; L224-N228 PolarHBondContact O-N 3.5Å; L224-N228 PolarHBondContact O-ND2 2.95Å; L224-D489 HydrophobicContact CD2-CB 3.53Å; L224-Y512 HydrophobicContact CD1-CD1 4.47Å; L224-Y512 HydrophobicContact CD1-CD2 4.08Å; L224-Y512 HydrophobicContact CD1-CG 3.98Å |
| 225 | T | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 177.8 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | G221 T222 M223 N228 A229 W401 Y403 Y433 I437 | G221-T225 PolarHBondContact O-N 2.84Å; G221-T225 PolarHBondContact O-OG1 3.15Å; G221-T225 VanDerWaalsContact O-OG1 3.05Å; T222-T225 PolarHBondContact O-N 2.77Å; M223-T225 PolarHBondContact O-N 3.36Å; T225-N228 PolarHBondContact O-N 3.19Å; T225-A229 VanDerWaalsContact O-CB 3.28Å; T225-A229 WeakPolarHBondContact O-CB 3.33Å; T225-A229 PolarHBondContact O-N 2.81Å; T225-W401 HydrophobicContact CG2-CZ2 4.19Å; T225-Y403 HydrophobicContact CG2-CE2 3.92Å; T225-Y433 HydrophobicContact CG2-CD2 4.04Å; T225-Y433 HydrophobicContact CG2-CG 4.36Å; T225-Y433 WeakPolarHBondContact OG1-CD2 3.29Å; T225-I437 HydrophobicContact CG2-CD1 4.03Å |
| 226 | V | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -42.2 | -178.5 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | T222 M223 L224 A229 G230 L239 F244 A263 | T222-V226 HydrophobicContact CG2-CG2 4.24Å; T222-V226 WeakPolarHBondContact O-CG2 3.47Å; T222-V226 PolarHBondContact O-N 3.37Å; M223-V226 PolarHBondContact O-N 3.07Å; L224-V226 PolarHBondContact O-N 2.85Å; V226-A229 PolarHBondContact O-N 3.03Å; V226-G230 PolarHBondContact O-N 3.1Å; V226-L239 HydrophobicContact CG1-CD1 3.63Å; V226-F244 HydrophobicContact CG2-CD1 4.11Å; V226-F244 HydrophobicContact CG2-CE1 4Å; V226-F244 HydrophobicContact CG2-CZ 4.38Å; V226-A263 HydrophobicContact CB-CB 4.35Å; V226-A263 HydrophobicContact CG1-CB 3.94Å |
| 227 | L | 93.7 | Very high | 92 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 175.4 | -73 | -179.5 | 0 | 0 | 0 | 111.9 | M223 L224 G230 R231 L239 A263 | M223-L227 HydrophobicContact CG-CD1 4.34Å; M223-L227 WeakPolarHBondContact O-CG 3.17Å; M223-L227 PolarHBondContact O-N 3.11Å; M223-L227 HydrophobicContact SD-CD1 3.33Å; M223-L227 WeakPolarHBondContact SD-CD1 3.39Å; M223-L227 HydrophobicContact SD-CG 4.1Å; L224-L227 PolarHBondContact O-N 3.09Å; L227-G230 PolarHBondContact O-N 2.65Å; L227-R231 PolarHBondContact O-N 2.93Å; L227-L239 HydrophobicContact CD2-CD1 4.21Å; L227-A263 HydrophobicContact CD2-CB 4.05Å; L227-A263 HydrophobicContact CG-CB 4.26Å |
| 228 | N | 92.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.1 | -32.5 | 179.3 | -73.7 | -72.5 | 0 | 0 | 0 | 112.4 | L224 T225 G230 R231 R232 I437 | L224-N228 WeakPolarHBondContact O-CB 3.38Å; L224-N228 PolarHBondContact O-N 3.5Å; L224-N228 PolarHBondContact O-ND2 2.95Å; T225-N228 PolarHBondContact O-N 3.19Å; N228-G230 VanDerWaalsContact C-N 3.32Å; N228-R231 PolarHBondContact ND2-NH2 2.75Å; N228-R231 PolarHBondContact O-N 3.46Å; N228-R231 PolarHBondContact OD1-NE 3.43Å; N228-R231 PolarHBondContact OD1-NH2 2.83Å; N228-R232 VanDerWaalsContact O-CB 3.31Å; N228-R232 WeakPolarHBondContact O-CB 3.45Å; N228-R232 PolarHBondContact O-N 2.98Å; N228-I437 HydrophobicContact CB-CG2 3.32Å |
| 229 | A | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T225 V226 R232 Y233 L339 W401 I437 | T225-A229 VanDerWaalsContact O-CB 3.28Å; T225-A229 WeakPolarHBondContact O-CB 3.33Å; T225-A229 PolarHBondContact O-N 2.81Å; V226-A229 PolarHBondContact O-N 3.03Å; A229-R232 PolarHBondContact O-N 2.93Å; A229-Y233 HydrophobicContact CB-CD2 4.17Å; A229-Y233 WeakPolarHBondContact O-CB 3.26Å; A229-Y233 WeakPolarHBondContact O-CD2 3.38Å; A229-Y233 PolarHBondContact O-N 3.02Å; A229-L339 HydrophobicContact CB-CD1 4.23Å; A229-L339 HydrophobicContact CB-CD2 4.39Å; A229-W401 HydrophobicContact CB-CH2 4.36Å; A229-W401 HydrophobicContact CB-CZ3 4.25Å; A229-I437 HydrophobicContact CB-CD1 3.83Å |
| 230 | G | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.7 | -53.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V226 L227 N228 L234 G235 T236 | V226-G230 PolarHBondContact O-N 3.1Å; L227-G230 PolarHBondContact O-N 2.65Å; N228-G230 VanDerWaalsContact C-N 3.32Å; G230-L234 CarbonylContact O-C 3.59Å; G230-L234 WeakPolarHBondContact O-CA 3.24Å; G230-L234 VanDerWaalsContact O-CB 3.31Å; G230-L234 WeakPolarHBondContact O-CB 3.45Å; G230-L234 PolarHBondContact O-N 3.28Å; G230-G235 PolarHBondContact O-N 2.93Å; G230-T236 CarbonylContact C-O 3.13Å; G230-T236 PolarHBondContact O-N 2.94Å |
| 231 | R | 93.1 | Very high | 93.8 | Very high | 51 Ų | 51 | 35 Ų | 35 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.8 | -77.8 | -175.7 | -79.4 | -90.7 | 9.4 | 112.6 | L227 N228 G235 T236 D237 D489 | L227-R231 PolarHBondContact O-N 2.93Å; N228-R231 PolarHBondContact ND2-NH2 2.75Å; N228-R231 PolarHBondContact O-N 3.46Å; N228-R231 PolarHBondContact OD1-NE 3.43Å; N228-R231 PolarHBondContact OD1-NH2 2.83Å; R231-G235 WeakPolarHBondContact O-CA 3.37Å; R231-G235 PolarHBondContact O-N 3.49Å; R231-T236 PolarHBondContact N-O 2.92Å; R231-D237 WeakPolarHBondContact CD-OD1 3.25Å; R231-D237 WeakPolarHBondContact CG-OD1 3.08Å; R231-D237 IonicContact CZ-OD1 3.22Å; R231-D237 IonicContact NE-OD1 3.09Å; R231-D237 IonicContact NH1-OD1 3.32Å; R231-D237 PolarHBondContact NH1-OD1 3.17Å; R231-D489 IonicContact CZ-OD2 2.74Å; R231-D489 IonicContact NH1-OD1 2.74Å; R231-D489 IonicContact NH1-OD2 3.05Å; R231-D489 IonicContact NH2-OD1 3.68Å; R231-D489 IonicContact NH2-OD2 3.68Å; R231-D489 PolarHBondContact NH2-OD2 3.19Å |
| 232 | R | 92.1 | Very high | 94.2 | Very high | 126 Ų | 126 | 38.6 Ų | 38.6 | 48% | 0.475 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -74.1 | -40.8 | -171 | -171.6 | 169.9 | -177.1 | 128.7 | 2.8 | 113 | N228 A229 H436 D440 | N228-R232 VanDerWaalsContact O-CB 3.31Å; N228-R232 WeakPolarHBondContact O-CB 3.45Å; N228-R232 PolarHBondContact O-N 2.98Å; A229-R232 PolarHBondContact O-N 2.93Å; R232-H436 VanDerWaalsContact CD-O 3.25Å; R232-H436 WeakPolarHBondContact CD-O 3.42Å; R232-H436 PolarHBondContact NE-O 3.19Å; R232-H436 PolarHBondContact NH1-O 2.97Å; R232-D440 IonicContact NH1-OD2 3.86Å; R232-D440 PolarHBondContact NH1-OD2 3.47Å |
| 233 | Y | 94.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -110.3 | -25.7 | -168.9 | -56.7 | -63.8 | 0 | 0 | 0 | 113.9 | A229 F399 H436 I437 | A229-Y233 HydrophobicContact CB-CD2 4.17Å; A229-Y233 WeakPolarHBondContact O-CB 3.26Å; A229-Y233 WeakPolarHBondContact O-CD2 3.38Å; A229-Y233 PolarHBondContact O-N 3.02Å; Y233-F399 HydrophobicContact CD1-CD1 4.18Å; Y233-F399 AromaticContact CD1-CD2 3.51Å; Y233-F399 HydrophobicContact CD1-CD2 3.51Å; Y233-F399 HydrophobicContact CD1-CE1 4.12Å; Y233-F399 AromaticContact CD1-CE2 3.42Å; Y233-F399 HydrophobicContact CD1-CE2 3.42Å; Y233-F399 VanDerWaalsContact CD1-CE2 3.42Å; Y233-F399 AromaticContact CD1-CG 3.91Å; Y233-F399 HydrophobicContact CD1-CG 3.91Å; Y233-F399 AromaticContact CD1-CZ 3.77Å; Y233-F399 HydrophobicContact CD1-CZ 3.77Å; Y233-F399 AromaticContact CD2-CD1 3.37Å; Y233-F399 HydrophobicContact CD2-CD1 3.37Å; Y233-F399 HydrophobicContact CD2-CD2 4.24Å; Y233-F399 AromaticContact CD2-CE1 3.35Å; Y233-F399 HydrophobicContact CD2-CE1 3.35Å; Y233-F399 HydrophobicContact CD2-CE2 4.22Å; Y233-F399 AromaticContact CD2-CG 3.85Å; Y233-F399 HydrophobicContact CD2-CG 3.85Å; Y233-F399 AromaticContact CD2-CZ 3.82Å; Y233-F399 HydrophobicContact CD2-CZ 3.82Å; Y233-F399 HydrophobicContact CE1-CD1 4.43Å; Y233-F399 AromaticContact CE1-CD2 3.84Å; Y233-F399 HydrophobicContact CE1-CD2 3.84Å; Y233-F399 AromaticContact CE1-CE1 3.9Å; Y233-F399 HydrophobicContact CE1-CE1 3.9Å; Y233-F399 AromaticContact CE1-CE2 3.21Å; Y233-F399 HydrophobicContact CE1-CE2 3.21Å; Y233-F399 HydrophobicContact CE1-CG 4.41Å; Y233-F399 AromaticContact CE1-CZ 3.27Å; Y233-F399 HydrophobicContact CE1-CZ 3.27Å; Y233-F399 AromaticContact CE2-CD1 3.67Å; Y233-F399 HydrophobicContact CE2-CD1 3.67Å; Y233-F399 AromaticContact CE2-CE1 3.08Å; Y233-F399 HydrophobicContact CE2-CE1 3.08Å; Y233-F399 HydrophobicContact CE2-CE2 4.06Å; Y233-F399 HydrophobicContact CE2-CG 4.37Å; Y233-F399 AromaticContact CE2-CZ 3.33Å; Y233-F399 HydrophobicContact CE2-CZ 3.33Å; Y233-F399 HydrophobicContact CG-CB 4.38Å; Y233-F399 AromaticContact CG-CD1 3.64Å; Y233-F399 HydrophobicContact CG-CD1 3.64Å; Y233-F399 AromaticContact CG-CD2 3.71Å; Y233-F399 HydrophobicContact CG-CD2 3.71Å; Y233-F399 AromaticContact CG-CE1 3.85Å; Y233-F399 HydrophobicContact CG-CE1 3.85Å; Y233-F399 AromaticContact CG-CE2 3.92Å; Y233-F399 HydrophobicContact CG-CE2 3.92Å; Y233-F399 AromaticContact CG-CG 3.58Å; Y233-F399 HydrophobicContact CG-CG 3.58Å; Y233-F399 AromaticContact CG-CZ 4Å; Y233-F399 HydrophobicContact CG-CZ 4Å; Y233-F399 AromaticContact CZ-CE1 3.36Å; Y233-F399 AromaticContact CZ-CE2 3.53Å; Y233-F399 AromaticContact CZ-CZ 2.99Å; Y233-F399 VanDerWaalsContact OH-CZ 3.23Å; Y233-F399 WeakPolarHBondContact OH-CZ 3.44Å; Y233-H436 WeakPolarHBondContact OH-CB 3.32Å; Y233-H436 PolarHBondContact OH-ND1 3Å; Y233-H436 VanDerWaalsContact OH-ND1 3.11Å; Y233-I437 HydrophobicContact CE2-CD1 4.19Å; Y233-I437 HydrophobicContact CE2-CG1 4.22Å |
| 234 | L | 95.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -106 | -6.6 | 176.3 | -51.3 | -177.4 | 0 | 0 | 0 | 112.7 | G230 T236 L239 R242 D338 L339 | G230-L234 CarbonylContact O-C 3.59Å; G230-L234 WeakPolarHBondContact O-CA 3.24Å; G230-L234 VanDerWaalsContact O-CB 3.31Å; G230-L234 WeakPolarHBondContact O-CB 3.45Å; G230-L234 PolarHBondContact O-N 3.28Å; L234-T236 VanDerWaalsContact C-N 3.27Å; L234-T236 HydrophobicContact CB-CG2 3.88Å; L234-T236 PolarHBondContact O-N 3.01Å; L234-L239 HydrophobicContact CD1-CD2 4.34Å; L234-R242 HydrophobicContact CD1-CB 4.27Å; L234-R242 HydrophobicContact CD1-CG 3.93Å; L234-D338 HydrophobicContact CD1-CB 3.97Å; L234-D338 HydrophobicContact CD2-CB 4.06Å; L234-L339 HydrophobicContact CD1-CD1 4.05Å; L234-L339 HydrophobicContact CD1-CD2 4.18Å; L234-L339 HydrophobicContact CD1-CG 3.95Å; L234-L339 HydrophobicContact CD2-CD2 4.25Å; L234-L339 HydrophobicContact CG-CD2 4.09Å; L234-L339 HydrophobicContact CG-CG 4.42Å |
| 235 | G | 95.1 | Very high | 95 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 72% | 0.722 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 64.4 | 26.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G230 R231 | G230-G235 PolarHBondContact O-N 2.93Å; R231-G235 WeakPolarHBondContact O-CA 3.37Å; R231-G235 PolarHBondContact O-N 3.49Å |
| 236 | T | 93.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | trans | -139 | 141.8 | -174.9 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | G230 R231 L234 D238 L239 | G230-T236 CarbonylContact C-O 3.13Å; G230-T236 PolarHBondContact O-N 2.94Å; R231-T236 PolarHBondContact N-O 2.92Å; L234-T236 VanDerWaalsContact C-N 3.27Å; L234-T236 HydrophobicContact CB-CG2 3.88Å; L234-T236 PolarHBondContact O-N 3.01Å; T236-D238 WeakPolarHBondContact CG2-O 3.48Å; T236-D238 PolarHBondContact OG1-N 3.23Å; T236-D238 PolarHBondContact OG1-O 3.46Å; T236-L239 HydrophobicContact CG2-CD2 4.11Å | ||
| 237 | D | 89.7 | Confident | 95.4 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 52% | 0.524 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -88.2 | -12.4 | 167.3 | -77.9 | -58.6 | 0 | 0 | 0 | 113 | R231 | R231-D237 WeakPolarHBondContact CD-OD1 3.25Å; R231-D237 WeakPolarHBondContact CG-OD1 3.08Å; R231-D237 IonicContact CZ-OD1 3.22Å; R231-D237 IonicContact NE-OD1 3.09Å; R231-D237 IonicContact NH1-OD1 3.32Å; R231-D237 PolarHBondContact NH1-OD1 3.17Å |
| 238 | D | 94.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | trans | -103.4 | 110.8 | 176.6 | -175.9 | 10.2 | 0 | 0 | 0 | 110.2 | T236 R240 | T236-D238 WeakPolarHBondContact CG2-O 3.48Å; T236-D238 PolarHBondContact OG1-N 3.23Å; T236-D238 PolarHBondContact OG1-O 3.46Å; D238-R240 VanDerWaalsContact OD1-CB 3.27Å; D238-R240 WeakPolarHBondContact OD1-CB 3.13Å; D238-R240 WeakPolarHBondContact OD1-CG 3.4Å; D238-R240 IonicContact OD1-CZ 3.78Å; D238-R240 PolarHBondContact OD1-N 3.19Å; D238-R240 IonicContact OD1-NE 2.87Å; D238-R240 PolarHBondContact OD1-NE 3.32Å; D238-R240 IonicContact OD1-NH2 3.83Å; D238-R240 IonicContact OD2-CZ 3.29Å; D238-R240 VanDerWaalsContact OD2-CZ 3.29Å; D238-R240 IonicContact OD2-NE 3.08Å; D238-R240 PolarHBondContact OD2-NE 3.38Å; D238-R240 VanDerWaalsContact OD2-NE 3.08Å; D238-R240 IonicContact OD2-NH2 2.68Å; D238-R240 PolarHBondContact OD2-NH2 2.82Å | ||
| 239 | L | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | trans | -96.4 | 7.9 | 179.8 | -56.3 | -179.9 | 0 | 0 | 0 | 113.9 | V226 L227 L234 T236 G241 R242 A263 G264 C265 | V226-L239 HydrophobicContact CG1-CD1 3.63Å; L227-L239 HydrophobicContact CD2-CD1 4.21Å; L234-L239 HydrophobicContact CD1-CD2 4.34Å; T236-L239 HydrophobicContact CG2-CD2 4.11Å; L239-G241 PolarHBondContact O-N 3.47Å; L239-R242 HydrophobicContact CB-CB 4.35Å; L239-R242 HydrophobicContact CB-CG 4.45Å; L239-R242 HydrophobicContact CD2-CB 4.49Å; L239-R242 HydrophobicContact CD2-CG 4.21Å; L239-R242 WeakPolarHBondContact O-CB 3.38Å; L239-R242 PolarHBondContact O-N 3.04Å; L239-A263 HydrophobicContact CD1-CB 4.26Å; L239-G264 CarbonylContact C-O 3.5Å; L239-C265 HydrophobicContact CB-CB 3.78Å; L239-C265 WeakPolarHBondContact O-CA 3.18Å | ||
| 240 | R | 97.4 | Very high | 94.9 | Very high | 140 Ų | 140 | 38.6 Ų | 38.6 | 53% | 0.528 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 122.5 | 175.8 | -69.5 | 178 | -63.9 | 174.6 | 0.8 | 110.7 | D238 R242 G264 K307 | D238-R240 VanDerWaalsContact OD1-CB 3.27Å; D238-R240 WeakPolarHBondContact OD1-CB 3.13Å; D238-R240 WeakPolarHBondContact OD1-CG 3.4Å; D238-R240 IonicContact OD1-CZ 3.78Å; D238-R240 PolarHBondContact OD1-N 3.19Å; D238-R240 IonicContact OD1-NE 2.87Å; D238-R240 PolarHBondContact OD1-NE 3.32Å; D238-R240 IonicContact OD1-NH2 3.83Å; D238-R240 IonicContact OD2-CZ 3.29Å; D238-R240 VanDerWaalsContact OD2-CZ 3.29Å; D238-R240 IonicContact OD2-NE 3.08Å; D238-R240 PolarHBondContact OD2-NE 3.38Å; D238-R240 VanDerWaalsContact OD2-NE 3.08Å; D238-R240 IonicContact OD2-NH2 2.68Å; D238-R240 PolarHBondContact OD2-NH2 2.82Å; R240-R242 VanDerWaalsContact C-N 3.3Å; R240-G264 VanDerWaalsContact CA-O 3.31Å; R240-G264 WeakPolarHBondContact CA-O 3.38Å; R240-G264 PolarHBondContact N-O 3.33Å; R240-K307 HydrophobicContact CB-CB 4.13Å |
| 241 | G | 95.9 | Very high | 94 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 5.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L239 R304 | L239-G241 PolarHBondContact O-N 3.47Å; G241-R304 WeakPolarHBondContact O-CG 3.46Å |
| 242 | R | 98.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 33% | 0.325 | 21% | 0.212 | S | C | . | . | trans | -87.5 | 145.6 | 166.2 | -58.7 | -58.1 | -173.9 | 168.7 | -0.5 | 110.3 | L234 L239 R240 C265 V266 D338 | L234-R242 HydrophobicContact CD1-CB 4.27Å; L234-R242 HydrophobicContact CD1-CG 3.93Å; L239-R242 HydrophobicContact CB-CB 4.35Å; L239-R242 HydrophobicContact CB-CG 4.45Å; L239-R242 HydrophobicContact CD2-CB 4.49Å; L239-R242 HydrophobicContact CD2-CG 4.21Å; L239-R242 WeakPolarHBondContact O-CB 3.38Å; L239-R242 PolarHBondContact O-N 3.04Å; R240-R242 VanDerWaalsContact C-N 3.3Å; R242-C265 WeakPolarHBondContact O-CB 3.43Å; R242-V266 PolarHBondContact O-N 3.5Å; R242-D338 WeakPolarHBondContact CA-OD2 2.95Å; R242-D338 IonicContact CZ-OD1 3.47Å; R242-D338 IonicContact NH1-OD1 3.28Å; R242-D338 PolarHBondContact NH1-OD1 3.3Å | ||
| 243 | V | 98.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124 | -176.4 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | V245 V266 V268 I300 R304 L336 D338 L339 | V243-V245 HydrophobicContact CG1-CG2 4.13Å; V243-V266 CarbonylContact C-O 3.6Å; V243-V266 WeakPolarHBondContact CA-O 3.27Å; V243-V266 HydrophobicContact CG2-CB 4.17Å; V243-V266 HydrophobicContact CG2-CG1 4.47Å; V243-V268 HydrophobicContact CG1-CG2 4.4Å; V243-I300 HydrophobicContact CG1-CG2 4.03Å; V243-I300 HydrophobicContact CG2-CG2 3.88Å; V243-R304 HydrophobicContact CG2-CB 4.4Å; V243-R304 HydrophobicContact CG2-CG 4.28Å; V243-L336 VanDerWaalsContact CB-O 3.26Å; V243-L336 WeakPolarHBondContact CB-O 3.21Å; V243-L336 WeakPolarHBondContact CG1-O 3.35Å; V243-L336 VanDerWaalsContact CG2-O 3.32Å; V243-L336 WeakPolarHBondContact CG2-O 3.24Å; V243-D338 PolarHBondContact N-OD2 3.16Å; V243-D338 PolarHBondContact O-N 3.35Å; V243-D338 VanDerWaalsContact O-N 3.08Å; V243-L339 PolarHBondContact O-N 3.4Å |
| 244 | F | 98.6 | Very high | 93 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.3 | 174.5 | 170.8 | -129.4 | 0 | 0 | 0 | 109.8 | V226 T246 A260 V266 G267 V268 L339 W401 | V226-F244 HydrophobicContact CG2-CD1 4.11Å; V226-F244 HydrophobicContact CG2-CE1 4Å; V226-F244 HydrophobicContact CG2-CZ 4.38Å; F244-T246 HydrophobicContact CE1-CG2 3.75Å; F244-T246 HydrophobicContact CZ-CG2 3.75Å; F244-A260 HydrophobicContact CD1-CB 4.4Å; F244-V266 PolarHBondContact N-O 2.95Å; F244-G267 CarbonylContact O-C 3.57Å; F244-G267 WeakPolarHBondContact O-CA 3.44Å; F244-V268 PolarHBondContact O-N 3.3Å; F244-L339 CarbonylContact C-O 3.59Å; F244-L339 VanDerWaalsContact CA-O 3.3Å; F244-L339 WeakPolarHBondContact CA-O 3.35Å; F244-L339 HydrophobicContact CB-CB 4.33Å; F244-L339 HydrophobicContact CD2-CB 3.98Å; F244-W401 AromaticContact CD2-CH2 3.68Å; F244-W401 HydrophobicContact CD2-CH2 3.68Å; F244-W401 HydrophobicContact CD2-CZ2 4.34Å; F244-W401 HydrophobicContact CD2-CZ3 4.47Å; F244-W401 AromaticContact CE2-CH2 3.33Å; F244-W401 HydrophobicContact CE2-CH2 3.33Å; F244-W401 AromaticContact CE2-CZ2 3.56Å; F244-W401 HydrophobicContact CE2-CZ2 3.56Å; F244-W401 HydrophobicContact CE2-CZ3 4.29Å; F244-W401 HydrophobicContact CZ-CH2 4.15Å; F244-W401 AromaticContact CZ-CZ2 3.99Å; F244-W401 HydrophobicContact CZ-CZ2 3.99Å |
| 245 | V | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.2 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | V243 V268 L321 W322 L325 V337 L339 G340 S341 | V243-V245 HydrophobicContact CG1-CG2 4.13Å; V245-V268 WeakPolarHBondContact CA-O 3.32Å; V245-V268 HydrophobicContact CG2-CB 4.21Å; V245-V268 HydrophobicContact CG2-CG2 4.48Å; V245-L321 HydrophobicContact CG1-CD2 3.75Å; V245-L321 HydrophobicContact CG1-CG 4.33Å; V245-W322 HydrophobicContact CB-CH2 3.67Å; V245-W322 HydrophobicContact CB-CZ2 4.19Å; V245-W322 HydrophobicContact CB-CZ3 4.11Å; V245-W322 HydrophobicContact CG1-CE3 4.48Å; V245-W322 HydrophobicContact CG1-CH2 3.73Å; V245-W322 HydrophobicContact CG1-CZ2 3.84Å; V245-W322 HydrophobicContact CG1-CZ3 4.07Å; V245-L325 HydrophobicContact CG1-CD1 4.18Å; V245-L325 HydrophobicContact CG2-CD1 3.96Å; V245-V337 HydrophobicContact CB-CG2 3.94Å; V245-V337 HydrophobicContact CG2-CB 4.04Å; V245-V337 HydrophobicContact CG2-CG2 3.55Å; V245-L339 PolarHBondContact N-O 3.27Å; V245-G340 WeakPolarHBondContact O-CA 3.33Å; V245-S341 PolarHBondContact O-N 3.05Å |
| 246 | T | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | -173.3 | 178.5 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | F244 Q256 V268 I269 A270 S341 | F244-T246 HydrophobicContact CE1-CG2 3.75Å; F244-T246 HydrophobicContact CZ-CG2 3.75Å; T246-Q256 HydrophobicContact CG2-CB 4.02Å; T246-Q256 HydrophobicContact CG2-CG 4.4Å; T246-Q256 VanDerWaalsContact CG2-OE1 3.25Å; T246-Q256 PolarHBondContact OG1-OE1 3.23Å; T246-V268 PolarHBondContact N-O 3.46Å; T246-I269 HydrophobicContact CG2-CB 4.43Å; T246-I269 HydrophobicContact CG2-CG1 3.77Å; T246-I269 HydrophobicContact CG2-CG2 4.28Å; T246-I269 WeakPolarHBondContact O-CA 3.36Å; T246-A270 PolarHBondContact O-N 2.97Å; T246-S341 WeakPolarHBondContact CA-O 3.2Å |
| 247 | S | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.1 | -173.9 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | Q256 A270 D342 Q343 | S247-Q256 PolarHBondContact O-NE2 2.9Å; S247-A270 CarbonylContact C-O 3.59Å; S247-A270 WeakPolarHBondContact CA-O 3.09Å; S247-D342 WeakPolarHBondContact CB-OD2 3.4Å; S247-D342 WeakPolarHBondContact OG-CA 3.28Å; S247-D342 PolarHBondContact OG-OD2 2.88Å; S247-Q343 PolarHBondContact OG-N 2.95Å; S247-Q343 VanDerWaalsContact OG-N 3.07Å |
| 248 | G | 94.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | trans | 84.5 | 131.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S253 Q256 I269 A270 | G248-S253 VanDerWaalsContact C-OG 3.24Å; G248-S253 CarbonylContact O-C 3.21Å; G248-S253 VanDerWaalsContact O-C 3.23Å; G248-S253 WeakPolarHBondContact O-CB 3.39Å; G248-S253 VanDerWaalsContact O-O 3.13Å; G248-S253 PolarHBondContact O-OG 3.29Å; G248-Q256 PolarHBondContact O-NE2 2.93Å; G248-I269 WeakPolarHBondContact O-CG2 3.43Å; G248-A270 PolarHBondContact N-O 3.17Å | ||
| 249 | L | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -121 | 19.7 | 173.1 | -69.9 | 172.8 | 0 | 0 | 0 | 112.6 | A257 I269 E271 P276 L277 R280 V286 | L249-A257 HydrophobicContact CD2-CB 4.29Å; L249-I269 HydrophobicContact CD1-CG2 4.48Å; L249-I269 HydrophobicContact CD2-CB 4.06Å; L249-I269 HydrophobicContact CD2-CG2 3.59Å; L249-I269 HydrophobicContact CG-CB 4.42Å; L249-I269 HydrophobicContact CG-CG2 3.73Å; L249-E271 HydrophobicContact CB-CB 4.07Å; L249-E271 HydrophobicContact CB-CG 4.02Å; L249-E271 HydrophobicContact CD1-CB 3.77Å; L249-E271 HydrophobicContact CD1-CG 4.35Å; L249-E271 HydrophobicContact CG-CB 3.96Å; L249-E271 HydrophobicContact CG-CG 4.46Å; L249-E271 PolarHBondContact N-OE2 2.86Å; L249-P276 HydrophobicContact CB-CB 4.44Å; L249-P276 WeakPolarHBondContact O-CB 3.42Å; L249-L277 HydrophobicContact CD1-CB 3.96Å; L249-L277 HydrophobicContact CD1-CD1 4.22Å; L249-L277 HydrophobicContact CD1-CG 3.9Å; L249-R280 HydrophobicContact CB-CG 4.04Å; L249-R280 HydrophobicContact CD2-CG 4.23Å; L249-R280 PolarHBondContact O-NE 3.26Å; L249-R280 VanDerWaalsContact O-NE 3.15Å; L249-V286 HydrophobicContact CD1-CG2 3.99Å; L249-V286 HydrophobicContact CD2-CG2 3.87Å | ||
| 250 | G | 83.8 | Confident | 92.8 | Very high | 24 Ų | 24 | 18.1 Ų | 18.1 | 25% | 0.247 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -65.6 | -162.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M252 S253 G254 R280 | G250-M252 PolarHBondContact O-N 2.61Å; G250-S253 PolarHBondContact N-OG 2.95Å; G250-S253 VanDerWaalsContact N-OG 3.11Å; G250-G254 PolarHBondContact O-N 3.13Å; G250-R280 PolarHBondContact O-NH2 3.33Å |
| 251 | G | 76.9 | Confident | 92.6 | Very high | 24 Ų | 24 | 13.4 Ų | 13.4 | 25% | 0.247 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -52.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | R280 | G251-R280 PolarHBondContact O-NH2 3.25Š|
| 252 | M | 82.4 | Confident | 92.4 | Very high | 44 Ų | 44 | 13.4 Ų | 13.4 | 22% | 0.217 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -48.6 | 176.7 | -63.6 | -177 | -72 | 0 | 0 | 112.1 | Y125 I218 G250 G254 A255 | Y125-M252 HydrophobicContact CD2-CE 3.95Å; Y125-M252 HydrophobicContact CD2-CG 3.97Å; Y125-M252 HydrophobicContact CD2-SD 3.67Å; Y125-M252 HydrophobicContact CE2-CE 4.19Å; Y125-M252 HydrophobicContact CE2-CG 4.37Å; Y125-M252 HydrophobicContact CE2-SD 3.6Å; Y125-M252 VanDerWaalsContact CE2-SD 3.6Å; I218-M252 HydrophobicContact CD1-CB 4.31Å; I218-M252 HydrophobicContact CD1-CG 4.06Å; I218-M252 HydrophobicContact CD1-SD 4.18Å; I218-M252 HydrophobicContact CG1-CB 3.95Å; I218-M252 HydrophobicContact CG1-CG 3.96Å; I218-M252 HydrophobicContact CG2-CB 4.29Å; I218-M252 WeakPolarHBondContact CG2-O 3.28Å; G250-M252 PolarHBondContact O-N 2.61Å; M252-G254 PolarHBondContact O-N 2.97Å; M252-A255 VanDerWaalsContact O-CB 3.23Å; M252-A255 WeakPolarHBondContact O-CB 3.43Å; M252-A255 PolarHBondContact O-N 2.72Å; M252-A255 VanDerWaalsContact O-N 3.07Å |
| 253 | S | 88 | Confident | 92.2 | Very high | 10 Ų | 10 | 9.6 Ų | 9.6 | 7% | 0.07 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.9 | -171.6 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | G248 G250 A255 Q256 Q343 | G248-S253 VanDerWaalsContact C-OG 3.24Å; G248-S253 CarbonylContact O-C 3.21Å; G248-S253 VanDerWaalsContact O-C 3.23Å; G248-S253 WeakPolarHBondContact O-CB 3.39Å; G248-S253 VanDerWaalsContact O-O 3.13Å; G248-S253 PolarHBondContact O-OG 3.29Å; G250-S253 PolarHBondContact N-OG 2.95Å; G250-S253 VanDerWaalsContact N-OG 3.11Å; S253-A255 PolarHBondContact O-N 3.04Å; S253-A255 VanDerWaalsContact O-N 3.12Å; S253-Q256 WeakPolarHBondContact O-CB 3.24Å; S253-Q256 VanDerWaalsContact O-CG 3.27Å; S253-Q256 WeakPolarHBondContact O-CG 3.15Å; S253-Q256 PolarHBondContact O-N 3.01Å; S253-Q256 VanDerWaalsContact O-N 3.11Å; S253-Q256 PolarHBondContact O-NE2 2.89Å; S253-Q256 VanDerWaalsContact O-NE2 3.09Å; S253-Q343 VanDerWaalsContact CA-NE2 3.26Å; S253-Q343 WeakPolarHBondContact CB-O 3.13Å |
| 254 | G | 87.6 | Confident | 92 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G250 M252 Q256 W285 | G250-G254 PolarHBondContact O-N 3.13Å; M252-G254 PolarHBondContact O-N 2.97Å; G254-Q256 VanDerWaalsContact C-N 3.25Å; G254-Q256 PolarHBondContact O-N 3.37Å; G254-W285 VanDerWaalsContact O-CE3 3.32Å |
| 255 | A | 89.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.1 | -24.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I218 V219 M252 S253 A257 K258 A259 W285 | I218-A255 HydrophobicContact CB-CB 3.67Å; I218-A255 HydrophobicContact CG2-CB 3.71Å; V219-A255 HydrophobicContact CB-CB 4.27Å; V219-A255 HydrophobicContact CG2-CB 3.47Å; V219-A255 VanDerWaalsContact CG2-CB 3.47Å; M252-A255 VanDerWaalsContact O-CB 3.23Å; M252-A255 WeakPolarHBondContact O-CB 3.43Å; M252-A255 PolarHBondContact O-N 2.72Å; M252-A255 VanDerWaalsContact O-N 3.07Å; S253-A255 PolarHBondContact O-N 3.04Å; S253-A255 VanDerWaalsContact O-N 3.12Å; A255-A257 PolarHBondContact O-N 2.84Å; A255-K258 PolarHBondContact O-N 2.96Å; A255-K258 VanDerWaalsContact O-N 3.14Å; A255-A259 WeakPolarHBondContact O-CB 3.25Å; A255-A259 PolarHBondContact O-N 2.95Å; A255-W285 HydrophobicContact CB-CZ3 4.13Å |
| 256 | Q | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.2 | -36.7 | -177.7 | -61.3 | 177.2 | 97.8 | 0 | 0 | 112 | T222 T246 S247 G248 S253 G254 K258 A259 A260 | T222-Q256 HydrophobicContact CG2-CB 4.36Å; T222-Q256 HydrophobicContact CG2-CG 4.07Å; T246-Q256 HydrophobicContact CG2-CB 4.02Å; T246-Q256 HydrophobicContact CG2-CG 4.4Å; T246-Q256 VanDerWaalsContact CG2-OE1 3.25Å; T246-Q256 PolarHBondContact OG1-OE1 3.23Å; S247-Q256 PolarHBondContact O-NE2 2.9Å; G248-Q256 PolarHBondContact O-NE2 2.93Å; S253-Q256 WeakPolarHBondContact O-CB 3.24Å; S253-Q256 VanDerWaalsContact O-CG 3.27Å; S253-Q256 WeakPolarHBondContact O-CG 3.15Å; S253-Q256 PolarHBondContact O-N 3.01Å; S253-Q256 VanDerWaalsContact O-N 3.11Å; S253-Q256 PolarHBondContact O-NE2 2.89Å; S253-Q256 VanDerWaalsContact O-NE2 3.09Å; G254-Q256 VanDerWaalsContact C-N 3.25Å; G254-Q256 PolarHBondContact O-N 3.37Å; Q256-K258 PolarHBondContact O-N 3.33Å; Q256-A259 PolarHBondContact O-N 2.91Å; Q256-A260 WeakPolarHBondContact O-CB 3.49Å; Q256-A260 PolarHBondContact O-N 2.9Å |
| 257 | A | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L249 A255 I269 W285 V286 S311 | L249-A257 HydrophobicContact CD2-CB 4.29Å; A255-A257 PolarHBondContact O-N 2.84Å; A257-I269 HydrophobicContact CB-CD1 3.8Å; A257-I269 HydrophobicContact CB-CG1 4.41Å; A257-W285 WeakPolarHBondContact CB-O 3.31Å; A257-V286 HydrophobicContact CB-CG2 3.77Å; A257-S311 VanDerWaalsContact O-CB 3.27Å; A257-S311 WeakPolarHBondContact O-CB 3.28Å |
| 258 | K | 92.8 | Very high | 92 | Very high | 35 Ų | 35 | 10.1 Ų | 10.1 | 15% | 0.152 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -71.2 | -40.7 | 179.3 | -160.9 | 67.8 | 167.5 | -175.2 | 0 | 111.8 | V219 A255 Q256 A260 V261 I262 G284 W285 M502 | V219-K258 HydrophobicContact CG1-CB 4.14Å; V219-K258 HydrophobicContact CG1-CG 4.22Å; V219-K258 HydrophobicContact CG2-CB 4.22Å; A255-K258 PolarHBondContact O-N 2.96Å; A255-K258 VanDerWaalsContact O-N 3.14Å; Q256-K258 PolarHBondContact O-N 3.33Å; K258-A260 VanDerWaalsContact C-N 3.34Å; K258-A260 PolarHBondContact O-N 3.28Å; K258-V261 PolarHBondContact O-N 3Å; K258-I262 HydrophobicContact CG-CD1 4.02Å; K258-I262 WeakPolarHBondContact O-CG1 3.42Å; K258-I262 PolarHBondContact O-N 3.4Å; K258-G284 PolarHBondContact NZ-O 2.79Å; K258-W285 HydrophobicContact CB-CG 4.46Å; K258-M502 HydrophobicContact CG-SD 4.49Å |
| 259 | A | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V219 T222 M223 A255 Q256 V261 I262 A263 | V219-A259 HydrophobicContact CG1-CB 4.43Å; T222-A259 HydrophobicContact CG2-CB 3.57Å; M223-A259 HydrophobicContact CB-CB 4.18Å; A255-A259 WeakPolarHBondContact O-CB 3.25Å; A255-A259 PolarHBondContact O-N 2.95Å; Q256-A259 PolarHBondContact O-N 2.91Å; A259-V261 VanDerWaalsContact C-N 3.34Å; A259-V261 PolarHBondContact O-N 3.48Å; A259-I262 PolarHBondContact O-N 2.9Å; A259-A263 VanDerWaalsContact O-CB 3.27Å; A259-A263 WeakPolarHBondContact O-CB 3.37Å; A259-A263 PolarHBondContact O-N 3.05Å |
| 260 | A | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F244 Q256 K258 A263 G264 C265 | F244-A260 HydrophobicContact CD1-CB 4.4Å; Q256-A260 WeakPolarHBondContact O-CB 3.49Å; Q256-A260 PolarHBondContact O-N 2.9Å; K258-A260 VanDerWaalsContact C-N 3.34Å; K258-A260 PolarHBondContact O-N 3.28Å; A260-A263 PolarHBondContact O-N 2.95Å; A260-G264 PolarHBondContact O-N 3.37Å; A260-C265 PolarHBondContact O-N 2.97Å; A260-C265 PolarHBondContact O-SG 3.37Å |
| 261 | V | 94.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 9.9 Ų | 9.9 | 24% | 0.242 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 178.7 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | K258 A259 A263 G264 M287 P309 | K258-V261 PolarHBondContact O-N 3Å; A259-V261 VanDerWaalsContact C-N 3.34Å; A259-V261 PolarHBondContact O-N 3.48Å; V261-A263 VanDerWaalsContact C-N 3.35Å; V261-G264 WeakPolarHBondContact O-CA 3.47Å; V261-G264 PolarHBondContact O-N 2.88Å; V261-G264 VanDerWaalsContact O-N 3.07Å; V261-M287 HydrophobicContact CG1-SD 4.42Å; V261-M287 HydrophobicContact CG2-SD 3.82Å; V261-P309 HydrophobicContact CG1-CB 4.34Å |
| 262 | I | 92.1 | Very high | 94 | Very high | 11 Ų | 11 | 10.1 Ų | 10.1 | 6% | 0.056 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.6 | -63.3 | 170.8 | 0 | 0 | 0 | 110.8 | V219 M223 K258 A259 G264 R492 W493 | V219-I262 HydrophobicContact CG1-CD1 3.77Å; M223-I262 HydrophobicContact CG-CB 4.29Å; M223-I262 HydrophobicContact CG-CG2 3.85Å; K258-I262 HydrophobicContact CG-CD1 4.02Å; K258-I262 WeakPolarHBondContact O-CG1 3.42Å; K258-I262 PolarHBondContact O-N 3.4Å; A259-I262 PolarHBondContact O-N 2.9Å; I262-G264 PolarHBondContact O-N 3.46Å; I262-R492 PolarHBondContact O-NH2 3.4Å; I262-W493 HydrophobicContact CD1-CZ3 4.12Å |
| 263 | A | 93.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 4% | 0.041 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.1 | -19.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M223 V226 L227 L239 A259 A260 V261 | M223-A263 HydrophobicContact CG-CB 4.45Å; V226-A263 HydrophobicContact CB-CB 4.35Å; V226-A263 HydrophobicContact CG1-CB 3.94Å; L227-A263 HydrophobicContact CD2-CB 4.05Å; L227-A263 HydrophobicContact CG-CB 4.26Å; L239-A263 HydrophobicContact CD1-CB 4.26Å; A259-A263 VanDerWaalsContact O-CB 3.27Å; A259-A263 WeakPolarHBondContact O-CB 3.37Å; A259-A263 PolarHBondContact O-N 3.05Å; A260-A263 PolarHBondContact O-N 2.95Å; V261-A263 VanDerWaalsContact C-N 3.35Å |
| 264 | G | 94.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 13.6 Ų | 13.6 | 11% | 0.113 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 13 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L239 R240 A260 V261 I262 | L239-G264 CarbonylContact C-O 3.5Å; R240-G264 VanDerWaalsContact CA-O 3.31Å; R240-G264 WeakPolarHBondContact CA-O 3.38Å; R240-G264 PolarHBondContact N-O 3.33Å; A260-G264 PolarHBondContact O-N 3.37Å; V261-G264 WeakPolarHBondContact O-CA 3.47Å; V261-G264 PolarHBondContact O-N 2.88Å; V261-G264 VanDerWaalsContact O-N 3.07Å; I262-G264 PolarHBondContact O-N 3.46Å |
| 265 | C | 97 | Very high | 94.5 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -100.7 | 174.6 | -177.9 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | L239 R242 A260 P309 L310 | L239-C265 HydrophobicContact CB-CB 3.78Å; L239-C265 WeakPolarHBondContact O-CA 3.18Å; R242-C265 WeakPolarHBondContact O-CB 3.43Å; A260-C265 PolarHBondContact O-N 2.97Å; A260-C265 PolarHBondContact O-SG 3.37Å; C265-P309 WeakPolarHBondContact O-CA 3.5Å; C265-L310 PolarHBondContact O-N 3.34Å |
| 266 | V | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.4 | 169.8 | -178.6 | 0 | 0 | 0 | 0 | 108 | R242 V243 F244 A303 L310 | R242-V266 PolarHBondContact O-N 3.5Å; V243-V266 CarbonylContact C-O 3.6Å; V243-V266 WeakPolarHBondContact CA-O 3.27Å; V243-V266 HydrophobicContact CG2-CB 4.17Å; V243-V266 HydrophobicContact CG2-CG1 4.47Å; F244-V266 PolarHBondContact N-O 2.95Å; V266-A303 HydrophobicContact CB-CB 4.37Å; V266-A303 HydrophobicContact CG1-CB 3.82Å; V266-A303 HydrophobicContact CG2-CB 3.56Å; V266-L310 CarbonylContact C-O 3.4Å; V266-L310 HydrophobicContact CG1-CB 4.33Å; V266-L310 HydrophobicContact CG1-CD2 4.36Å |
| 267 | G | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F244 L310 S311 L312 | F244-G267 CarbonylContact O-C 3.57Å; F244-G267 WeakPolarHBondContact O-CA 3.44Å; G267-L310 PolarHBondContact N-O 2.79Å; G267-S311 WeakPolarHBondContact O-CA 3.42Å; G267-L312 PolarHBondContact O-N 3.36Å |
| 268 | V | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.7 | 172.8 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | V243 F244 V245 T246 I300 L312 L321 | V243-V268 HydrophobicContact CG1-CG2 4.4Å; F244-V268 PolarHBondContact O-N 3.3Å; V245-V268 WeakPolarHBondContact CA-O 3.32Å; V245-V268 HydrophobicContact CG2-CB 4.21Å; V245-V268 HydrophobicContact CG2-CG2 4.48Å; T246-V268 PolarHBondContact N-O 3.46Å; V268-I300 HydrophobicContact CG2-CD1 3.82Å; V268-I300 HydrophobicContact CG2-CG1 3.67Å; V268-L312 WeakPolarHBondContact CA-O 3.44Å; V268-L321 HydrophobicContact CG1-CD2 3.8Å |
| 269 | I | 98.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.5 | -172.1 | -52.1 | 86.9 | 0 | 0 | 0 | 109.2 | T246 G248 L249 A257 L312 G313 Y314 | T246-I269 HydrophobicContact CG2-CB 4.43Å; T246-I269 HydrophobicContact CG2-CG1 3.77Å; T246-I269 HydrophobicContact CG2-CG2 4.28Å; T246-I269 WeakPolarHBondContact O-CA 3.36Å; G248-I269 WeakPolarHBondContact O-CG2 3.43Å; L249-I269 HydrophobicContact CD1-CG2 4.48Å; L249-I269 HydrophobicContact CD2-CB 4.06Å; L249-I269 HydrophobicContact CD2-CG2 3.59Å; L249-I269 HydrophobicContact CG-CB 4.42Å; L249-I269 HydrophobicContact CG-CG2 3.73Å; A257-I269 HydrophobicContact CB-CD1 3.8Å; A257-I269 HydrophobicContact CB-CG1 4.41Å; I269-L312 PolarHBondContact N-O 3.45Å; I269-G313 WeakPolarHBondContact O-CA 3.2Å; I269-Y314 PolarHBondContact O-N 3.25Å |
| 270 | A | 98.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 133.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T246 S247 G248 Y314 V318 L321 | T246-A270 PolarHBondContact O-N 2.97Å; S247-A270 CarbonylContact C-O 3.59Å; S247-A270 WeakPolarHBondContact CA-O 3.09Å; G248-A270 PolarHBondContact N-O 3.17Å; A270-Y314 WeakPolarHBondContact CA-O 3.29Å; A270-Y314 HydrophobicContact CB-CD1 3.91Å; A270-V318 HydrophobicContact CB-CB 3.71Å; A270-V318 HydrophobicContact CB-CG2 4.02Å; A270-L321 HydrophobicContact CB-CD2 4.14Å |
| 271 | E | 97.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 132 | 175 | 173.7 | 59.9 | -99.4 | 0 | 0 | 109.7 | L249 D273 P276 L277 Y314 H315 G316 | L249-E271 HydrophobicContact CB-CB 4.07Å; L249-E271 HydrophobicContact CB-CG 4.02Å; L249-E271 HydrophobicContact CD1-CB 3.77Å; L249-E271 HydrophobicContact CD1-CG 4.35Å; L249-E271 HydrophobicContact CG-CB 3.96Å; L249-E271 HydrophobicContact CG-CG 4.46Å; L249-E271 PolarHBondContact N-OE2 2.86Å; E271-D273 VanDerWaalsContact CG-O 3.23Å; E271-D273 WeakPolarHBondContact CG-O 3.24Å; E271-D273 PolarHBondContact OE1-N 3.25Å; E271-P276 HydrophobicContact CG-CG 3.98Å; E271-L277 HydrophobicContact CB-CB 4.35Å; E271-L277 HydrophobicContact CB-CD1 4.23Å; E271-L277 HydrophobicContact CG-CB 4.07Å; E271-Y314 PolarHBondContact N-O 3.09Å; E271-H315 CarbonylContact O-C 3.58Å; E271-H315 WeakPolarHBondContact O-CA 3.5Å; E271-G316 CarbonylContact C-O 3.56Å; E271-G316 PolarHBondContact O-N 3.14Å |
| 272 | V | 95.5 | Very high | 93.2 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -88.9 | -25.2 | -177.9 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | N317 Y355 F361 | V272-N317 HydrophobicContact CG1-CB 4.1Å; V272-Y355 HydrophobicContact CG2-CD2 3.76Å; V272-Y355 HydrophobicContact CG2-CG 3.75Å; V272-F361 HydrophobicContact CG2-CD2 4.1Å |
| 273 | D | 90.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 24% | 0.241 | 21% | 0.205 | C | C | . | . | trans | -92.5 | 117.8 | 177.5 | -173.9 | -2.3 | 0 | 0 | 0 | 110.1 | E271 A275 P276 L277 F361 | E271-D273 VanDerWaalsContact CG-O 3.23Å; E271-D273 WeakPolarHBondContact CG-O 3.24Å; E271-D273 PolarHBondContact OE1-N 3.25Å; D273-A275 PolarHBondContact O-N 2.58Å; D273-A275 WeakPolarHBondContact OD1-CB 3.45Å; D273-A275 PolarHBondContact OD1-N 2.93Å; D273-P276 HydrophobicContact CB-CG 3.69Å; D273-P276 VanDerWaalsContact O-CD 3.23Å; D273-P276 WeakPolarHBondContact O-CD 3.29Å; D273-P276 WeakPolarHBondContact O-CG 3.43Å; D273-P276 WeakPolarHBondContact OD1-CD 3.5Å; D273-P276 VanDerWaalsContact OD2-CD 3.26Å; D273-P276 WeakPolarHBondContact OD2-CD 3.37Å; D273-L277 PolarHBondContact O-N 3.38Å; D273-F361 HydrophobicContact CB-CD2 4.11Å; D273-F361 HydrophobicContact CB-CE1 4.36Å; D273-F361 HydrophobicContact CB-CE2 3.64Å; D273-F361 HydrophobicContact CB-CZ 3.78Å; D273-F361 VanDerWaalsContact CG-CZ 3.42Å; D273-F361 WeakPolarHBondContact OD2-CZ 3.44Å | ||
| 274 | E | 91.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.1 | -31 | 179.5 | -173.1 | 170.2 | -160.5 | 0 | 0 | 112.5 | L277 R278 | E274-L277 PolarHBondContact O-N 2.83Å; E274-R278 VanDerWaalsContact CD-NE 3.35Å; E274-R278 HydrophobicContact CG-CG 3.96Å; E274-R278 WeakPolarHBondContact O-CB 3.39Å; E274-R278 WeakPolarHBondContact O-CG 2.98Å; E274-R278 PolarHBondContact O-N 3.25Å; E274-R278 IonicContact OE1-CZ 3.66Å; E274-R278 IonicContact OE1-NE 3.9Å; E274-R278 PolarHBondContact OE1-NE 2.89Å; E274-R278 IonicContact OE1-NH2 2.75Å; E274-R278 PolarHBondContact OE1-NH2 3.35Å |
| 275 | A | 86.2 | Confident | 92.5 | Very high | 62 Ų | 62 | 43 Ų | 43 | 51% | 0.512 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.3 | -55.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D273 L277 K279 | D273-A275 PolarHBondContact O-N 2.58Å; D273-A275 WeakPolarHBondContact OD1-CB 3.45Å; D273-A275 PolarHBondContact OD1-N 2.93Å; A275-L277 VanDerWaalsContact C-N 3.32Å; A275-L277 PolarHBondContact O-N 3.11Å; A275-K279 WeakPolarHBondContact O-CB 3.23Å; A275-K279 PolarHBondContact O-N 2.68Å |
| 276 | P | 85.2 | Confident | 92.4 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 174.7 | 23.2 | -32 | 0 | 0 | 0 | 111.9 | L249 E271 D273 K279 R280 | L249-P276 HydrophobicContact CB-CB 4.44Å; L249-P276 WeakPolarHBondContact O-CB 3.42Å; E271-P276 HydrophobicContact CG-CG 3.98Å; D273-P276 HydrophobicContact CB-CG 3.69Å; D273-P276 VanDerWaalsContact O-CD 3.23Å; D273-P276 WeakPolarHBondContact O-CD 3.29Å; D273-P276 WeakPolarHBondContact O-CG 3.43Å; D273-P276 WeakPolarHBondContact OD1-CD 3.5Å; D273-P276 VanDerWaalsContact OD2-CD 3.26Å; D273-P276 WeakPolarHBondContact OD2-CD 3.37Å; P276-K279 PolarHBondContact O-N 3.07Å; P276-R280 VanDerWaalsContact O-CG 3.31Å; P276-R280 WeakPolarHBondContact O-CG 3.36Å; P276-R280 PolarHBondContact O-N 2.95Å |
| 277 | L | 91.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.6 | -51.9 | 178.3 | -177.1 | 152.2 | 0 | 0 | 0 | 111.7 | L249 E271 D273 E274 A275 K279 R280 H281 V289 H315 | L249-L277 HydrophobicContact CD1-CB 3.96Å; L249-L277 HydrophobicContact CD1-CD1 4.22Å; L249-L277 HydrophobicContact CD1-CG 3.9Å; E271-L277 HydrophobicContact CB-CB 4.35Å; E271-L277 HydrophobicContact CB-CD1 4.23Å; E271-L277 HydrophobicContact CG-CB 4.07Å; D273-L277 PolarHBondContact O-N 3.38Å; E274-L277 PolarHBondContact O-N 2.83Å; A275-L277 VanDerWaalsContact C-N 3.32Å; A275-L277 PolarHBondContact O-N 3.11Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 2.93Å; L277-R280 PolarHBondContact O-N 3.09Å; L277-H281 PolarHBondContact O-N 3.31Å; L277-V289 HydrophobicContact CD1-CG1 4.49Å; L277-V289 HydrophobicContact CD2-CB 4.25Å; L277-V289 HydrophobicContact CD2-CG1 3.55Å; L277-V289 HydrophobicContact CD2-CG2 3.64Å; L277-H315 HydrophobicContact CD1-CB 3.76Å |
| 278 | R | 91.4 | Very high | 92.3 | Very high | 140 Ų | 140 | 50.4 Ų | 50.4 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.7 | -75.5 | -175.3 | 177.7 | -146.6 | 6.1 | 111.4 | E274 R280 H281 E282 | E274-R278 VanDerWaalsContact CD-NE 3.35Å; E274-R278 HydrophobicContact CG-CG 3.96Å; E274-R278 WeakPolarHBondContact O-CB 3.39Å; E274-R278 WeakPolarHBondContact O-CG 2.98Å; E274-R278 PolarHBondContact O-N 3.25Å; E274-R278 IonicContact OE1-CZ 3.66Å; E274-R278 IonicContact OE1-NE 3.9Å; E274-R278 PolarHBondContact OE1-NE 2.89Å; E274-R278 IonicContact OE1-NH2 2.75Å; E274-R278 PolarHBondContact OE1-NH2 3.35Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 2.79Å; R278-H281 WeakPolarHBondContact O-CB 3.28Å; R278-H281 PolarHBondContact O-N 3.47Å; R278-H281 VanDerWaalsContact O-N 3.08Å; R278-E282 WeakPolarHBondContact O-CG 3.49Å; R278-E282 PolarHBondContact O-N 3.43Å |
| 279 | K | 86.1 | Confident | 92.3 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56 | -42.9 | 176.6 | -176.1 | 175.6 | -177 | 174.9 | 0 | 111.9 | A275 P276 L277 Q283 | A275-K279 WeakPolarHBondContact O-CB 3.23Å; A275-K279 PolarHBondContact O-N 2.68Å; P276-K279 PolarHBondContact O-N 3.07Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 2.93Å; K279-Q283 WeakPolarHBondContact O-CB 3.47Å; K279-Q283 WeakPolarHBondContact O-CG 3.15Å; K279-Q283 PolarHBondContact O-N 3.06Å; K279-Q283 VanDerWaalsContact O-N 3.12Å |
| 280 | R | 89.2 | Confident | 92.3 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 6% | 0.06 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.5 | -30.9 | 178.1 | -61.9 | -36.7 | 179.7 | 167.2 | 5.1 | 112.9 | L249 G250 G251 P276 L277 R278 G284 W285 V286 | L249-R280 HydrophobicContact CB-CG 4.04Å; L249-R280 HydrophobicContact CD2-CG 4.23Å; L249-R280 PolarHBondContact O-NE 3.26Å; L249-R280 VanDerWaalsContact O-NE 3.15Å; G250-R280 PolarHBondContact O-NH2 3.33Å; G251-R280 PolarHBondContact O-NH2 3.25Å; P276-R280 VanDerWaalsContact O-CG 3.31Å; P276-R280 WeakPolarHBondContact O-CG 3.36Å; P276-R280 PolarHBondContact O-N 2.95Å; L277-R280 PolarHBondContact O-N 3.09Å; R278-R280 VanDerWaalsContact C-N 3.3Å; R278-R280 PolarHBondContact O-N 2.79Å; R280-G284 PolarHBondContact O-N 3.29Å; R280-W285 HydrophobicContact CB-CB 4.31Å; R280-W285 WeakPolarHBondContact O-CB 3.41Å; R280-W285 PolarHBondContact O-N 2.69Å; R280-V286 HydrophobicContact CB-CB 4.41Å; R280-V286 HydrophobicContact CB-CG2 3.79Å; R280-V286 PolarHBondContact O-N 3.44Å; R280-V286 VanDerWaalsContact O-N 3.13Å |
| 281 | H | 93.4 | Very high | 92.2 | Very high | 85 Ų | 85 | 58 Ų | 58 | 39% | 0.394 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -47.6 | 173.5 | -175.2 | 53 | 0 | 0 | 0 | 111.8 | L277 R278 Q283 G284 V286 M287 V289 | L277-H281 PolarHBondContact O-N 3.31Å; R278-H281 WeakPolarHBondContact O-CB 3.28Å; R278-H281 PolarHBondContact O-N 3.47Å; R278-H281 VanDerWaalsContact O-N 3.08Å; H281-Q283 PolarHBondContact O-N 3.45Å; H281-G284 WeakPolarHBondContact O-CA 3.18Å; H281-G284 PolarHBondContact O-N 2.9Å; H281-V286 WeakPolarHBondContact CA-O 3.48Å; H281-V286 HydrophobicContact CB-CB 4.36Å; H281-V286 PolarHBondContact ND1-O 2.94Å; H281-M287 PolarHBondContact CE1-O 2.72Å; H281-V289 HydrophobicContact CB-CG2 4.06Å |
| 282 | E | 89.8 | Confident | 92.3 | Very high | 156 Ų | 156 | 58.3 Ų | 58.3 | 73% | 0.729 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.1 | -32.6 | 176 | -70.7 | 168.3 | -172.3 | 0 | 0 | 112.5 | R278 G284 | R278-E282 WeakPolarHBondContact O-CG 3.49Å; R278-E282 PolarHBondContact O-N 3.43Å; E282-G284 PolarHBondContact O-N 3.21Å |
| 283 | Q | 84.6 | Confident | 92.4 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.5 | 173.4 | -72.9 | 171 | -8.1 | 0 | 0 | 113.9 | K279 H281 W285 | K279-Q283 WeakPolarHBondContact O-CB 3.47Å; K279-Q283 WeakPolarHBondContact O-CG 3.15Å; K279-Q283 PolarHBondContact O-N 3.06Å; K279-Q283 VanDerWaalsContact O-N 3.12Å; H281-Q283 PolarHBondContact O-N 3.45Å; Q283-W285 VanDerWaalsContact C-N 3.29Å; Q283-W285 HydrophobicContact CB-CG 4.05Å; Q283-W285 VanDerWaalsContact O-CD1 3.29Å; Q283-W285 PolarHBondContact O-N 3.33Å |
| 284 | G | 88.8 | Confident | 92.8 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 26.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K258 R280 H281 E282 | K258-G284 PolarHBondContact NZ-O 2.79Å; R280-G284 PolarHBondContact O-N 3.29Å; H281-G284 WeakPolarHBondContact O-CA 3.18Å; H281-G284 PolarHBondContact O-N 2.9Å; E282-G284 PolarHBondContact O-N 3.21Å |
| 285 | W | 91 | Very high | 93.1 | Very high | 15 Ų | 15 | 64 Ų | 64 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -91.3 | -43.6 | 176 | -69.8 | 22.1 | 0 | 0 | 0 | 110.9 | P215 V219 G254 A255 A257 K258 R280 Q283 S311 M502 | P215-W285 HydrophobicContact CB-CH2 3.31Å; P215-W285 HydrophobicContact CB-CZ2 4.36Å; P215-W285 HydrophobicContact CB-CZ3 3.72Å; P215-W285 HydrophobicContact CG-CH2 3.09Å; P215-W285 HydrophobicContact CG-CZ2 3.68Å; P215-W285 HydrophobicContact CG-CZ3 3.86Å; V219-W285 HydrophobicContact CG2-CH2 3.78Å; V219-W285 HydrophobicContact CG2-CZ2 4.44Å; V219-W285 HydrophobicContact CG2-CZ3 4.19Å; G254-W285 VanDerWaalsContact O-CE3 3.32Å; A255-W285 HydrophobicContact CB-CZ3 4.13Å; A257-W285 WeakPolarHBondContact CB-O 3.31Å; K258-W285 HydrophobicContact CB-CG 4.46Å; R280-W285 HydrophobicContact CB-CB 4.31Å; R280-W285 WeakPolarHBondContact O-CB 3.41Å; R280-W285 PolarHBondContact O-N 2.69Å; Q283-W285 VanDerWaalsContact C-N 3.29Å; Q283-W285 HydrophobicContact CB-CG 4.05Å; Q283-W285 VanDerWaalsContact O-CD1 3.29Å; Q283-W285 PolarHBondContact O-N 3.33Å; W285-S311 WeakPolarHBondContact O-CB 3.5Å; W285-S311 PolarHBondContact O-OG 3.48Å; W285-M502 HydrophobicContact CZ2-CG 4.37Å |
| 286 | V | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -93.4 | 119.4 | 166.1 | 172.3 | 0 | 0 | 0 | 0 | 107.7 | L249 A257 R280 H281 E288 V289 S311 | L249-V286 HydrophobicContact CD1-CG2 3.99Å; L249-V286 HydrophobicContact CD2-CG2 3.87Å; A257-V286 HydrophobicContact CB-CG2 3.77Å; R280-V286 HydrophobicContact CB-CB 4.41Å; R280-V286 HydrophobicContact CB-CG2 3.79Å; R280-V286 PolarHBondContact O-N 3.44Å; R280-V286 VanDerWaalsContact O-N 3.13Å; H281-V286 WeakPolarHBondContact CA-O 3.48Å; H281-V286 HydrophobicContact CB-CB 4.36Å; H281-V286 PolarHBondContact ND1-O 2.94Å; V286-E288 WeakPolarHBondContact CG1-O 3.44Å; V286-V289 HydrophobicContact CG1-CG2 3.85Å; V286-S311 WeakPolarHBondContact CA-OG 3.34Å |
| 287 | M | 96.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 60 Ų | 60 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | trans | -78.8 | -40 | -177.8 | -70.2 | 170.9 | 64.8 | 0 | 0 | 111.9 | V261 H281 L310 S311 | V261-M287 HydrophobicContact CG1-SD 4.42Å; V261-M287 HydrophobicContact CG2-SD 3.82Å; H281-M287 PolarHBondContact CE1-O 2.72Å; M287-L310 HydrophobicContact CB-CD1 4.15Å; M287-S311 WeakPolarHBondContact CG-OG 2.9Å; M287-S311 PolarHBondContact N-O 3.49Å; M287-S311 PolarHBondContact N-OG 3.03Å | ||
| 288 | E | 98.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 66 Ų | 66 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.2 | -176.4 | -66.6 | 177.6 | -149.4 | 0 | 0 | 110.4 | V286 R299 L310 S311 L312 G313 | V286-E288 WeakPolarHBondContact CG1-O 3.44Å; E288-R299 VanDerWaalsContact CD-NE 3.32Å; E288-R299 IonicContact OE1-CZ 3.36Å; E288-R299 IonicContact OE1-NE 3.29Å; E288-R299 PolarHBondContact OE1-NE 3.24Å; E288-R299 VanDerWaalsContact OE1-NE 3.14Å; E288-R299 IonicContact OE1-NH2 2.72Å; E288-R299 PolarHBondContact OE1-NH2 3.15Å; E288-R299 WeakPolarHBondContact OE2-CD 3.35Å; E288-R299 IonicContact OE2-CZ 3.69Å; E288-R299 IonicContact OE2-NE 3.49Å; E288-R299 PolarHBondContact OE2-NE 3.15Å; E288-R299 IonicContact OE2-NH2 3.82Å; E288-L310 HydrophobicContact CB-CD1 4.34Å; E288-L310 HydrophobicContact CG-CD1 4.03Å; E288-L310 WeakPolarHBondContact OE1-CD1 3.42Å; E288-S311 PolarHBondContact N-O 3.27Å; E288-L312 HydrophobicContact CB-CD1 3.75Å; E288-L312 WeakPolarHBondContact O-CA 3.46Å; E288-G313 PolarHBondContact O-N 2.89Å |
| 289 | V | 98.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.7 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | L277 H281 V286 G313 | L277-V289 HydrophobicContact CD1-CG1 4.49Å; L277-V289 HydrophobicContact CD2-CB 4.25Å; L277-V289 HydrophobicContact CD2-CG1 3.55Å; L277-V289 HydrophobicContact CD2-CG2 3.64Å; H281-V289 HydrophobicContact CB-CG2 4.06Å; V286-V289 HydrophobicContact CG1-CG2 3.85Å; V289-G313 WeakPolarHBondContact CA-O 3.42Å |
| 290 | T | 98.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.3 | 169.3 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | S292 Q295 C296 L312 G313 Y314 H315 | T290-S292 PolarHBondContact OG1-N 3.5Å; T290-S292 VanDerWaalsContact OG1-N 3.17Å; T290-S292 PolarHBondContact OG1-O 2.82Å; T290-Q295 WeakPolarHBondContact OG1-CB 3.3Å; T290-Q295 PolarHBondContact OG1-OE1 2.85Å; T290-C296 HydrophobicContact CG2-CB 3.84Å; T290-L312 HydrophobicContact CG2-CD1 4.07Å; T290-L312 HydrophobicContact CG2-CD2 4.47Å; T290-L312 HydrophobicContact CG2-CG 4.42Å; T290-G313 PolarHBondContact N-O 3.04Å; T290-Y314 CarbonylContact O-C 3.59Å; T290-Y314 WeakPolarHBondContact O-CA 3.28Å; T290-H315 PolarHBondContact O-N 3.32Å |
| 291 | S | 97.4 | Very high | 95.9 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -110.4 | 8.5 | 169.8 | 63 | 0 | 0 | 0 | 0 | 112.2 | ||
| 292 | S | 98.1 | Very high | 96.1 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | trans | -111.3 | 124.5 | 176.9 | 160.9 | 0 | 0 | 0 | 0 | 109.7 | T290 E294 Q295 C296 | T290-S292 PolarHBondContact OG1-N 3.5Å; T290-S292 VanDerWaalsContact OG1-N 3.17Å; T290-S292 PolarHBondContact OG1-O 2.82Å; S292-E294 VanDerWaalsContact C-N 3.28Å; S292-E294 PolarHBondContact O-N 3.38Å; S292-E294 PolarHBondContact OG-N 3.07Å; S292-E294 PolarHBondContact OG-OE2 3.37Å; S292-Q295 PolarHBondContact O-N 2.84Å; S292-Q295 PolarHBondContact OG-N 3.14Å; S292-C296 WeakPolarHBondContact O-CB 3.44Å; S292-C296 PolarHBondContact O-N 2.92Å | ||
| 293 | L | 98.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | 174.3 | -75.9 | 170.2 | 0 | 0 | 0 | 111.6 | C296 I297 Y314 D320 L321 R324 | L293-C296 WeakPolarHBondContact O-CB 3.41Å; L293-C296 PolarHBondContact O-N 3.22Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.18Å; L293-I297 PolarHBondContact O-N 3.06Å; L293-Y314 HydrophobicContact CD2-CD1 4.46Å; L293-Y314 HydrophobicContact CD2-CD2 4.46Å; L293-Y314 HydrophobicContact CD2-CE1 3.79Å; L293-Y314 HydrophobicContact CD2-CE2 3.79Å; L293-Y314 VanDerWaalsContact CD2-CZ 3.41Å; L293-Y314 WeakPolarHBondContact CD2-OH 3.5Å; L293-Y314 HydrophobicContact CG-CE2 3.97Å; L293-Y314 WeakPolarHBondContact CG-OH 3.32Å; L293-D320 HydrophobicContact CD1-CB 4.23Å; L293-L321 HydrophobicContact CD2-CB 4.37Å; L293-L321 HydrophobicContact CD2-CD1 4.13Å; L293-R324 HydrophobicContact CB-CG 3.96Å; L293-R324 HydrophobicContact CD1-CB 4.15Å; L293-R324 HydrophobicContact CD1-CG 4.3Å; L293-R324 HydrophobicContact CD2-CB 4.03Å; L293-R324 HydrophobicContact CD2-CG 4.11Å; L293-R324 HydrophobicContact CG-CG 4.35Å |
| 294 | E | 97.9 | Very high | 97.1 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 176.3 | -62.4 | 70.2 | -151.6 | 0 | 0 | 111.5 | S292 C296 I297 K298 | S292-E294 VanDerWaalsContact C-N 3.28Å; S292-E294 PolarHBondContact O-N 3.38Å; S292-E294 PolarHBondContact OG-N 3.07Å; S292-E294 PolarHBondContact OG-OE2 3.37Å; E294-C296 VanDerWaalsContact C-N 3.34Å; E294-I297 PolarHBondContact O-N 3.23Å; E294-K298 WeakPolarHBondContact O-CB 3.37Å; E294-K298 PolarHBondContact O-N 3.26Å |
| 295 | Q | 98.1 | Very high | 97.5 | Very high | 120 Ų | 120 | 55.8 Ų | 55.8 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 175.9 | -69.5 | -177.7 | -5.8 | 0 | 0 | 111.5 | T290 S292 K298 R299 | T290-Q295 WeakPolarHBondContact OG1-CB 3.3Å; T290-Q295 PolarHBondContact OG1-OE1 2.85Å; S292-Q295 PolarHBondContact O-N 2.84Å; S292-Q295 PolarHBondContact OG-N 3.14Å; Q295-K298 PolarHBondContact O-N 3.15Å; Q295-R299 WeakPolarHBondContact O-CB 3.44Å; Q295-R299 PolarHBondContact O-N 2.76Å |
| 296 | C | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.5 | -52.6 | 175.7 | -171 | 0 | 0 | 0 | 0 | 111.1 | T290 S292 L293 E294 K298 R299 I300 | T290-C296 HydrophobicContact CG2-CB 3.84Å; S292-C296 WeakPolarHBondContact O-CB 3.44Å; S292-C296 PolarHBondContact O-N 2.92Å; L293-C296 WeakPolarHBondContact O-CB 3.41Å; L293-C296 PolarHBondContact O-N 3.22Å; E294-C296 VanDerWaalsContact C-N 3.34Å; C296-K298 PolarHBondContact O-N 2.71Å; C296-R299 PolarHBondContact O-N 3.18Å; C296-I300 VanDerWaalsContact O-CG1 3.28Å; C296-I300 WeakPolarHBondContact O-CG1 3.5Å; C296-I300 PolarHBondContact O-N 2.8Å |
| 297 | I | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.4 | -66.9 | -52.7 | 0 | 0 | 0 | 111.8 | L293 E294 R299 I300 R301 R324 L325 E328 L336 | L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.18Å; L293-I297 PolarHBondContact O-N 3.06Å; E294-I297 PolarHBondContact O-N 3.23Å; I297-R299 VanDerWaalsContact C-N 3.33Å; I297-R299 PolarHBondContact O-N 2.82Å; I297-I300 HydrophobicContact CD1-CD1 4.3Å; I297-I300 PolarHBondContact O-N 3.47Å; I297-R301 VanDerWaalsContact CG2-NH1 3.3Å; I297-R301 PolarHBondContact O-N 2.97Å; I297-R324 HydrophobicContact CD1-CG 4.17Å; I297-R324 HydrophobicContact CG1-CG 3.92Å; I297-L325 HydrophobicContact CD1-CD2 3.65Å; I297-L325 HydrophobicContact CD1-CG 4.28Å; I297-E328 HydrophobicContact CD1-CG 4.29Å; I297-E328 HydrophobicContact CG1-CG 4.2Å; I297-E328 HydrophobicContact CG2-CG 3.77Å; I297-L336 HydrophobicContact CD1-CD1 4.05Å; I297-L336 HydrophobicContact CG2-CD1 3.82Å |
| 298 | K | 98.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 62.9 Ų | 62.9 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58 | -47.5 | 176.6 | -179.6 | -177.6 | 171.1 | -174.3 | 0 | 111 | E294 Q295 C296 I300 R301 E302 | E294-K298 WeakPolarHBondContact O-CB 3.37Å; E294-K298 PolarHBondContact O-N 3.26Å; Q295-K298 PolarHBondContact O-N 3.15Å; C296-K298 PolarHBondContact O-N 2.71Å; K298-I300 PolarHBondContact O-N 3.11Å; K298-R301 PolarHBondContact O-N 3.33Å; K298-E302 WeakPolarHBondContact CE-OE1 3.5Å; K298-E302 IonicContact NZ-OE1 2.8Å; K298-E302 WeakPolarHBondContact O-CG 3.21Å; K298-E302 PolarHBondContact O-N 2.74Å; K298-E302 VanDerWaalsContact O-N 3.11Å |
| 299 | R | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 18% | 0.181 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -36.4 | -177 | -171.8 | 63.9 | -175.9 | 96.5 | -0.2 | 112.5 | E288 Q295 C296 I297 E302 A303 L310 L312 | E288-R299 VanDerWaalsContact CD-NE 3.32Å; E288-R299 IonicContact OE1-CZ 3.36Å; E288-R299 IonicContact OE1-NE 3.29Å; E288-R299 PolarHBondContact OE1-NE 3.24Å; E288-R299 VanDerWaalsContact OE1-NE 3.14Å; E288-R299 IonicContact OE1-NH2 2.72Å; E288-R299 PolarHBondContact OE1-NH2 3.15Å; E288-R299 WeakPolarHBondContact OE2-CD 3.35Å; E288-R299 IonicContact OE2-CZ 3.69Å; E288-R299 IonicContact OE2-NE 3.49Å; E288-R299 PolarHBondContact OE2-NE 3.15Å; E288-R299 IonicContact OE2-NH2 3.82Å; Q295-R299 WeakPolarHBondContact O-CB 3.44Å; Q295-R299 PolarHBondContact O-N 2.76Å; C296-R299 PolarHBondContact O-N 3.18Å; I297-R299 VanDerWaalsContact C-N 3.33Å; I297-R299 PolarHBondContact O-N 2.82Å; R299-E302 PolarHBondContact O-N 3.01Å; R299-A303 WeakPolarHBondContact O-CB 3.38Å; R299-A303 PolarHBondContact O-N 2.96Å; R299-L310 HydrophobicContact CG-CD2 3.78Å; R299-L312 HydrophobicContact CB-CD2 4.03Å; R299-L312 HydrophobicContact CG-CD1 4.46Å; R299-L312 HydrophobicContact CG-CD2 4.07Å |
| 300 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.2 | -51.6 | 171.8 | -69.7 | 166 | 0 | 0 | 0 | 110.2 | V243 V268 C296 I297 K298 E302 A303 R304 L325 L336 | V243-I300 HydrophobicContact CG1-CG2 4.03Å; V243-I300 HydrophobicContact CG2-CG2 3.88Å; V268-I300 HydrophobicContact CG2-CD1 3.82Å; V268-I300 HydrophobicContact CG2-CG1 3.67Å; C296-I300 VanDerWaalsContact O-CG1 3.28Å; C296-I300 WeakPolarHBondContact O-CG1 3.5Å; C296-I300 PolarHBondContact O-N 2.8Å; I297-I300 HydrophobicContact CD1-CD1 4.3Å; I297-I300 PolarHBondContact O-N 3.47Å; K298-I300 PolarHBondContact O-N 3.11Å; I300-E302 PolarHBondContact O-N 2.86Å; I300-A303 PolarHBondContact O-N 3.17Å; I300-R304 WeakPolarHBondContact O-CB 3.5Å; I300-R304 PolarHBondContact O-N 3.15Å; I300-L325 HydrophobicContact CD1-CD2 4.41Å; I300-L336 HydrophobicContact CG2-CB 4.41Å; I300-L336 HydrophobicContact CG2-CD2 4.48Å |
| 301 | R | 98.1 | Very high | 97.8 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 26% | 0.26 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 179.5 | -73 | 178.5 | 171.5 | 125.5 | 3 | 112.7 | I297 K298 T305 E328 E334 L336 | I297-R301 VanDerWaalsContact CG2-NH1 3.3Å; I297-R301 PolarHBondContact O-N 2.97Å; K298-R301 PolarHBondContact O-N 3.33Å; R301-T305 WeakPolarHBondContact O-CB 3.36Å; R301-T305 PolarHBondContact O-N 3.35Å; R301-T305 PolarHBondContact O-OG1 3.42Å; R301-E328 IonicContact CZ-OE2 3.36Å; R301-E328 IonicContact NH1-OE2 2.84Å; R301-E328 PolarHBondContact NH1-OE2 3Å; R301-E328 VanDerWaalsContact NH1-OE2 3.07Å; R301-E328 IonicContact NH2-OE2 3.04Å; R301-E328 PolarHBondContact NH2-OE2 3.44Å; R301-E334 IonicContact CZ-OE2 3.81Å; R301-E334 IonicContact NE-OE1 2.72Å; R301-E334 IonicContact NE-OE2 3.77Å; R301-E334 PolarHBondContact NE-OE2 3.4Å; R301-E334 IonicContact NH2-OE2 2.61Å; R301-E334 PolarHBondContact NH2-OE2 3.3Å; R301-L336 HydrophobicContact CG-CD2 3.66Å |
| 302 | E | 98.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 178.6 | -70.7 | 171.6 | 171.5 | 0 | 0 | 112.1 | K298 R299 I300 T305 S306 | K298-E302 WeakPolarHBondContact CE-OE1 3.5Å; K298-E302 IonicContact NZ-OE1 2.8Å; K298-E302 WeakPolarHBondContact O-CG 3.21Å; K298-E302 PolarHBondContact O-N 2.74Å; K298-E302 VanDerWaalsContact O-N 3.11Å; R299-E302 PolarHBondContact O-N 3.01Å; I300-E302 PolarHBondContact O-N 2.86Å; E302-T305 PolarHBondContact O-N 3.01Å; E302-S306 WeakPolarHBondContact O-CB 3.37Å; E302-S306 PolarHBondContact O-N 2.64Å; E302-S306 PolarHBondContact O-OG 2.97Å |
| 303 | A | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V266 R299 I300 S306 K307 T308 L310 | V266-A303 HydrophobicContact CB-CB 4.37Å; V266-A303 HydrophobicContact CG1-CB 3.82Å; V266-A303 HydrophobicContact CG2-CB 3.56Å; R299-A303 WeakPolarHBondContact O-CB 3.38Å; R299-A303 PolarHBondContact O-N 2.96Å; I300-A303 PolarHBondContact O-N 3.17Å; A303-S306 PolarHBondContact O-OG 3.45Å; A303-K307 WeakPolarHBondContact O-CA 3.43Å; A303-K307 PolarHBondContact O-N 3.07Å; A303-T308 PolarHBondContact O-N 2.75Å; A303-T308 VanDerWaalsContact O-N 3.15Å; A303-L310 HydrophobicContact CB-CB 4.33Å; A303-L310 HydrophobicContact CB-CD2 3.88Å |
| 304 | R | 97.3 | Very high | 97.8 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.3 | -166.3 | -167.6 | -179 | -172.2 | 7.4 | 111.3 | G241 V243 I300 K307 E334 L335 | G241-R304 WeakPolarHBondContact O-CG 3.46Å; V243-R304 HydrophobicContact CG2-CB 4.4Å; V243-R304 HydrophobicContact CG2-CG 4.28Å; I300-R304 WeakPolarHBondContact O-CB 3.5Å; I300-R304 PolarHBondContact O-N 3.15Å; R304-K307 PolarHBondContact O-N 2.53Å; R304-E334 IonicContact NH1-OE1 3.9Å; R304-L335 PolarHBondContact NH1-O 3.34Å |
| 305 | T | 97.4 | Very high | 97.9 | Very high | 119 Ų | 119 | 49 Ų | 49 | 73% | 0.73 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.7 | -43.6 | -178 | -56 | 0 | 0 | 0 | 0 | 111.9 | R301 E302 K307 | R301-T305 WeakPolarHBondContact O-CB 3.36Å; R301-T305 PolarHBondContact O-N 3.35Å; R301-T305 PolarHBondContact O-OG1 3.42Å; E302-T305 PolarHBondContact O-N 3.01Å; T305-K307 PolarHBondContact O-N 3.32Å |
| 306 | S | 97.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 44 Ų | 44 | 47% | 0.469 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -77.6 | -7.1 | 178.6 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | E302 A303 T308 | E302-S306 WeakPolarHBondContact O-CB 3.37Å; E302-S306 PolarHBondContact O-N 2.64Å; E302-S306 PolarHBondContact O-OG 2.97Å; A303-S306 PolarHBondContact O-OG 3.45Å; S306-T308 WeakPolarHBondContact CB-OG1 3.47Å; S306-T308 PolarHBondContact O-N 3.38Å; S306-T308 PolarHBondContact OG-OG1 3.17Å |
| 307 | K | 97.7 | Very high | 97.9 | Very high | 125 Ų | 125 | 44.5 Ų | 44.5 | 54% | 0.543 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.6 | -175.5 | -65.9 | -172.4 | 178.8 | -174.8 | 0 | 113.2 | R240 A303 R304 T305 | R240-K307 HydrophobicContact CB-CB 4.13Å; A303-K307 WeakPolarHBondContact O-CA 3.43Å; A303-K307 PolarHBondContact O-N 3.07Å; R304-K307 PolarHBondContact O-N 2.53Å; T305-K307 PolarHBondContact O-N 3.32Å |
| 308 | T | 96.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | trans | -90.5 | 121 | -177.5 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | A303 S306 L310 | A303-T308 PolarHBondContact O-N 2.75Å; A303-T308 VanDerWaalsContact O-N 3.15Å; S306-T308 WeakPolarHBondContact CB-OG1 3.47Å; S306-T308 PolarHBondContact O-N 3.38Å; S306-T308 PolarHBondContact OG-OG1 3.17Å; T308-L310 PolarHBondContact O-N 3.45Å | ||
| 309 | P | 96.3 | Very high | 97.9 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | trans | -57.6 | 133.6 | 171 | -21.8 | 32.8 | 0 | 0 | 0 | 110.5 | V261 C265 | V261-P309 HydrophobicContact CG1-CB 4.34Å; C265-P309 WeakPolarHBondContact O-CA 3.5Å | ||
| 310 | L | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 141.6 | -174.5 | 173.6 | 65.1 | 0 | 0 | 0 | 109.7 | C265 V266 G267 M287 E288 R299 A303 T308 L312 | C265-L310 PolarHBondContact O-N 3.34Å; V266-L310 CarbonylContact C-O 3.4Å; V266-L310 HydrophobicContact CG1-CB 4.33Å; V266-L310 HydrophobicContact CG1-CD2 4.36Å; G267-L310 PolarHBondContact N-O 2.79Å; M287-L310 HydrophobicContact CB-CD1 4.15Å; E288-L310 HydrophobicContact CB-CD1 4.34Å; E288-L310 HydrophobicContact CG-CD1 4.03Å; E288-L310 WeakPolarHBondContact OE1-CD1 3.42Å; R299-L310 HydrophobicContact CG-CD2 3.78Å; A303-L310 HydrophobicContact CB-CB 4.33Å; A303-L310 HydrophobicContact CB-CD2 3.88Å; T308-L310 PolarHBondContact O-N 3.45Å; L310-L312 HydrophobicContact CD2-CB 4.11Å; L310-L312 HydrophobicContact CG-CB 4.26Å |
| 311 | S | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 108.1 | 160.4 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | A257 G267 W285 V286 M287 E288 | A257-S311 VanDerWaalsContact O-CB 3.27Å; A257-S311 WeakPolarHBondContact O-CB 3.28Å; G267-S311 WeakPolarHBondContact O-CA 3.42Å; W285-S311 WeakPolarHBondContact O-CB 3.5Å; W285-S311 PolarHBondContact O-OG 3.48Å; V286-S311 WeakPolarHBondContact CA-OG 3.34Å; M287-S311 WeakPolarHBondContact CG-OG 2.9Å; M287-S311 PolarHBondContact N-O 3.49Å; M287-S311 PolarHBondContact N-OG 3.03Å; E288-S311 PolarHBondContact N-O 3.27Å |
| 312 | L | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.7 | -179.2 | -178.5 | 63.7 | 0 | 0 | 0 | 110 | G267 V268 I269 E288 T290 R299 L310 | G267-L312 PolarHBondContact O-N 3.36Å; V268-L312 WeakPolarHBondContact CA-O 3.44Å; I269-L312 PolarHBondContact N-O 3.45Å; E288-L312 HydrophobicContact CB-CD1 3.75Å; E288-L312 WeakPolarHBondContact O-CA 3.46Å; T290-L312 HydrophobicContact CG2-CD1 4.07Å; T290-L312 HydrophobicContact CG2-CD2 4.47Å; T290-L312 HydrophobicContact CG2-CG 4.42Å; R299-L312 HydrophobicContact CB-CD2 4.03Å; R299-L312 HydrophobicContact CG-CD1 4.46Å; R299-L312 HydrophobicContact CG-CD2 4.07Å; L310-L312 HydrophobicContact CD2-CB 4.11Å; L310-L312 HydrophobicContact CG-CB 4.26Å |
| 313 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I269 E288 V289 T290 | I269-G313 WeakPolarHBondContact O-CA 3.2Å; E288-G313 PolarHBondContact O-N 2.89Å; V289-G313 WeakPolarHBondContact CA-O 3.42Å; T290-G313 PolarHBondContact N-O 3.04Å |
| 314 | Y | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 36 Ų | 36 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.6 | 170.8 | 170.6 | -121.1 | 0 | 0 | 0 | 109.5 | I269 A270 E271 T290 L293 G316 L321 | I269-Y314 PolarHBondContact O-N 3.25Å; A270-Y314 WeakPolarHBondContact CA-O 3.29Å; A270-Y314 HydrophobicContact CB-CD1 3.91Å; E271-Y314 PolarHBondContact N-O 3.09Å; T290-Y314 CarbonylContact O-C 3.59Å; T290-Y314 WeakPolarHBondContact O-CA 3.28Å; L293-Y314 HydrophobicContact CD2-CD1 4.46Å; L293-Y314 HydrophobicContact CD2-CD2 4.46Å; L293-Y314 HydrophobicContact CD2-CE1 3.79Å; L293-Y314 HydrophobicContact CD2-CE2 3.79Å; L293-Y314 VanDerWaalsContact CD2-CZ 3.41Å; L293-Y314 WeakPolarHBondContact CD2-OH 3.5Å; L293-Y314 HydrophobicContact CG-CE2 3.97Å; L293-Y314 WeakPolarHBondContact CG-OH 3.32Å; Y314-G316 PolarHBondContact O-N 3.19Å; Y314-L321 HydrophobicContact CD1-CB 4.04Å; Y314-L321 HydrophobicContact CD1-CD2 4.37Å; Y314-L321 HydrophobicContact CE1-CB 4.12Å |
| 315 | H | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 32.5 Ų | 32.5 | 29% | 0.292 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 95.6 | 173.1 | -178.5 | -153.6 | 0 | 0 | 0 | 109.3 | E271 L277 T290 | E271-H315 CarbonylContact O-C 3.58Å; E271-H315 WeakPolarHBondContact O-CA 3.5Å; L277-H315 HydrophobicContact CD1-CB 3.76Å; T290-H315 PolarHBondContact O-N 3.32Å |
| 316 | G | 97.7 | Very high | 98.1 | Very high | 15 Ų | 15 | 28 Ų | 28 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 165.6 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E271 Y314 | E271-G316 CarbonylContact C-O 3.56Å; E271-G316 PolarHBondContact O-N 3.14Å; Y314-G316 PolarHBondContact O-N 3.19Å |
| 317 | N | 98.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | trans | -77.6 | 137.2 | -178.2 | -158.5 | -68.1 | 0 | 0 | 0 | 111.2 | V272 V319 D320 L321 Y355 V357 | V272-N317 HydrophobicContact CG1-CB 4.1Å; N317-V319 PolarHBondContact O-N 3.18Å; N317-V319 WeakPolarHBondContact OD1-CB 3.46Å; N317-V319 WeakPolarHBondContact OD1-CG2 3.27Å; N317-V319 PolarHBondContact OD1-N 2.88Å; N317-D320 WeakPolarHBondContact CB-OD2 3.46Å; N317-D320 WeakPolarHBondContact O-CB 3.44Å; N317-D320 PolarHBondContact O-N 3.12Å; N317-D320 VanDerWaalsContact O-N 3.13Å; N317-L321 PolarHBondContact O-N 3.44Å; N317-Y355 PolarHBondContact ND2-O 3.24Å; N317-V357 HydrophobicContact CB-CB 4.41Å; N317-V357 HydrophobicContact CB-CG2 4.16Å; N317-V357 WeakPolarHBondContact ND2-CA 3.43Å; N317-V357 PolarHBondContact ND2-N 3.4Å | ||
| 318 | V | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -32.6 | 176.1 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | A270 D320 L321 W322 H386 | A270-V318 HydrophobicContact CB-CB 3.71Å; A270-V318 HydrophobicContact CB-CG2 4.02Å; V318-D320 VanDerWaalsContact C-N 3.34Å; V318-D320 PolarHBondContact O-N 3.04Å; V318-L321 WeakPolarHBondContact O-CB 3.41Å; V318-L321 PolarHBondContact O-N 3.48Å; V318-L321 VanDerWaalsContact O-N 3.17Å; V318-W322 VanDerWaalsContact O-CD1 3.25Å; V318-W322 PolarHBondContact O-N 3.16Å; V318-H386 VanDerWaalsContact CG1-CE1 3.41Å; V318-H386 WeakPolarHBondContact CG1-CE1 3.23Å |
| 319 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | N317 L321 W322 E323 Y354 V357 R385 H386 | N317-V319 PolarHBondContact O-N 3.18Å; N317-V319 WeakPolarHBondContact OD1-CB 3.46Å; N317-V319 WeakPolarHBondContact OD1-CG2 3.27Å; N317-V319 PolarHBondContact OD1-N 2.88Å; V319-L321 VanDerWaalsContact C-N 3.3Å; V319-L321 PolarHBondContact O-N 2.95Å; V319-W322 PolarHBondContact O-N 3.32Å; V319-E323 HydrophobicContact CG1-CG 4.3Å; V319-E323 WeakPolarHBondContact O-CB 3.3Å; V319-E323 WeakPolarHBondContact O-CG 3.35Å; V319-E323 PolarHBondContact O-N 3.18Å; V319-Y354 WeakPolarHBondContact CG2-OH 3.17Å; V319-V357 HydrophobicContact CB-CB 3.9Å; V319-V357 HydrophobicContact CB-CG1 4.29Å; V319-V357 HydrophobicContact CB-CG2 4.04Å; V319-V357 HydrophobicContact CG1-CB 4.18Å; V319-V357 HydrophobicContact CG1-CG1 4.04Å; V319-V357 HydrophobicContact CG1-CG2 4.25Å; V319-V357 HydrophobicContact CG2-CB 4.38Å; V319-R385 HydrophobicContact CG1-CB 4.03Å; V319-H386 HydrophobicContact CG2-CB 3.72Å |
| 320 | D | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 27.5 Ų | 27.5 | 29% | 0.289 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 174.9 | -65 | -43.3 | 0 | 0 | 0 | 111.2 | L293 N317 V318 R324 V357 | L293-D320 HydrophobicContact CD1-CB 4.23Å; N317-D320 WeakPolarHBondContact CB-OD2 3.46Å; N317-D320 WeakPolarHBondContact O-CB 3.44Å; N317-D320 PolarHBondContact O-N 3.12Å; N317-D320 VanDerWaalsContact O-N 3.13Å; V318-D320 VanDerWaalsContact C-N 3.34Å; V318-D320 PolarHBondContact O-N 3.04Å; D320-R324 WeakPolarHBondContact O-CB 3.36Å; D320-R324 PolarHBondContact O-N 3.07Å; D320-V357 WeakPolarHBondContact OD1-CG2 3.49Å |
| 321 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.2 | 178.4 | 60.3 | 0 | 0 | 0 | 111.7 | V245 V268 A270 L293 Y314 N317 V318 V319 R324 L325 | V245-L321 HydrophobicContact CG1-CD2 3.75Å; V245-L321 HydrophobicContact CG1-CG 4.33Å; V268-L321 HydrophobicContact CG1-CD2 3.8Å; A270-L321 HydrophobicContact CB-CD2 4.14Å; L293-L321 HydrophobicContact CD2-CB 4.37Å; L293-L321 HydrophobicContact CD2-CD1 4.13Å; Y314-L321 HydrophobicContact CD1-CB 4.04Å; Y314-L321 HydrophobicContact CD1-CD2 4.37Å; Y314-L321 HydrophobicContact CE1-CB 4.12Å; N317-L321 PolarHBondContact O-N 3.44Å; V318-L321 WeakPolarHBondContact O-CB 3.41Å; V318-L321 PolarHBondContact O-N 3.48Å; V318-L321 VanDerWaalsContact O-N 3.17Å; V319-L321 VanDerWaalsContact C-N 3.3Å; V319-L321 PolarHBondContact O-N 2.95Å; L321-R324 WeakPolarHBondContact O-CB 3.28Å; L321-R324 PolarHBondContact O-N 2.72Å; L321-L325 HydrophobicContact CD1-CD1 4.28Å; L321-L325 HydrophobicContact CD1-CG 4.38Å; L321-L325 HydrophobicContact CG-CD1 4.15Å; L321-L325 VanDerWaalsContact O-CG 3.29Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.96Å |
| 322 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 176.9 | -75.7 | 126.6 | 0 | 0 | 0 | 112.7 | V245 V318 V319 R324 L325 L326 V337 H386 A389 I390 L393 M398 F400 | V245-W322 HydrophobicContact CB-CH2 3.67Å; V245-W322 HydrophobicContact CB-CZ2 4.19Å; V245-W322 HydrophobicContact CB-CZ3 4.11Å; V245-W322 HydrophobicContact CG1-CE3 4.48Å; V245-W322 HydrophobicContact CG1-CH2 3.73Å; V245-W322 HydrophobicContact CG1-CZ2 3.84Å; V245-W322 HydrophobicContact CG1-CZ3 4.07Å; V318-W322 VanDerWaalsContact O-CD1 3.25Å; V318-W322 PolarHBondContact O-N 3.16Å; V319-W322 PolarHBondContact O-N 3.32Å; W322-R324 PolarHBondContact O-N 2.89Å; W322-L325 HydrophobicContact CE3-CD1 3.85Å; W322-L325 HydrophobicContact CZ3-CD1 4.02Å; W322-L325 PolarHBondContact O-N 2.6Å; W322-L326 PolarHBondContact O-N 3Å; W322-V337 HydrophobicContact CH2-CG2 4.37Å; W322-V337 HydrophobicContact CZ3-CG1 4.27Å; W322-V337 HydrophobicContact CZ3-CG2 4.19Å; W322-H386 AromaticContact CD1-CD2 3.28Å; W322-H386 AromaticContact CD1-NE2 3.11Å; W322-H386 AromaticContact NE1-CD2 3.61Å; W322-H386 AromaticContact NE1-NE2 3.01Å; W322-H386 PolarHBondContact NE1-NE2 3.43Å; W322-A389 HydrophobicContact CB-CB 3.8Å; W322-I390 HydrophobicContact CD2-CG1 4.24Å; W322-I390 HydrophobicContact CG-CG1 4.45Å; W322-L393 HydrophobicContact CE3-CD1 3.54Å; W322-L393 HydrophobicContact CZ3-CD1 3.99Å; W322-M398 HydrophobicContact CE3-SD 4.43Å; W322-M398 HydrophobicContact CH2-CE 4.38Å; W322-M398 HydrophobicContact CH2-SD 3.7Å; W322-M398 HydrophobicContact CZ3-CE 4.19Å; W322-M398 HydrophobicContact CZ3-SD 3.4Å; W322-M398 WeakPolarHBondContact CZ3-SD 3.49Å; W322-F400 HydrophobicContact CZ2-CD2 4.43Å; W322-F400 HydrophobicContact CZ2-CE2 4.24Å |
| 323 | E | 98.7 | Very high | 98.3 | Very high | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.8 | -36.4 | 176.4 | -71.6 | 178.3 | 167.2 | 0 | 0 | 110.9 | V319 L326 L327 R385 A389 | V319-E323 HydrophobicContact CG1-CG 4.3Å; V319-E323 WeakPolarHBondContact O-CB 3.3Å; V319-E323 WeakPolarHBondContact O-CG 3.35Å; V319-E323 PolarHBondContact O-N 3.18Å; E323-L326 PolarHBondContact O-N 3.01Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 PolarHBondContact O-N 3.16Å; E323-R385 VanDerWaalsContact CD-NH2 3.28Å; E323-R385 IonicContact OE1-CZ 2.83Å; E323-R385 IonicContact OE1-NE 3.21Å; E323-R385 PolarHBondContact OE1-NE 3.24Å; E323-R385 IonicContact OE1-NH2 3.9Å; E323-R385 PolarHBondContact OE1-NH2 3.02Å; E323-R385 IonicContact OE2-CZ 2.75Å; E323-R385 IonicContact OE2-NH2 3.65Å; E323-R385 PolarHBondContact OE2-NH2 3.35Å; E323-A389 HydrophobicContact CG-CB 4.26Å |
| 324 | R | 98.5 | Very high | 98.2 | Very high | 37 Ų | 37 | 44 Ų | 44 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 174.3 | -179.7 | 73.1 | -170.4 | 85.6 | -0.7 | 113.2 | L293 I297 D320 L321 W322 L326 L327 E328 | L293-R324 HydrophobicContact CB-CG 3.96Å; L293-R324 HydrophobicContact CD1-CB 4.15Å; L293-R324 HydrophobicContact CD1-CG 4.3Å; L293-R324 HydrophobicContact CD2-CB 4.03Å; L293-R324 HydrophobicContact CD2-CG 4.11Å; L293-R324 HydrophobicContact CG-CG 4.35Å; I297-R324 HydrophobicContact CD1-CG 4.17Å; I297-R324 HydrophobicContact CG1-CG 3.92Å; D320-R324 WeakPolarHBondContact O-CB 3.36Å; D320-R324 PolarHBondContact O-N 3.07Å; L321-R324 WeakPolarHBondContact O-CB 3.28Å; L321-R324 PolarHBondContact O-N 2.72Å; W322-R324 PolarHBondContact O-N 2.89Å; R324-L326 VanDerWaalsContact C-N 3.35Å; R324-L327 PolarHBondContact O-N 3.39Å; R324-E328 IonicContact CZ-OE1 2.78Å; R324-E328 VanDerWaalsContact NH1-CD 3.3Å; R324-E328 IonicContact NH1-OE1 4Å; R324-E328 PolarHBondContact NH1-OE1 3.22Å; R324-E328 VanDerWaalsContact NH2-CD 3.34Å; R324-E328 IonicContact NH2-OE1 3.07Å; R324-E328 PolarHBondContact NH2-OE1 3.37Å; R324-E328 PolarHBondContact O-N 2.88Å |
| 325 | L | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 177 | -74.9 | 164.4 | 0 | 0 | 0 | 110.8 | V245 I297 I300 L321 W322 E328 F329 L336 V337 L393 | V245-L325 HydrophobicContact CG1-CD1 4.18Å; V245-L325 HydrophobicContact CG2-CD1 3.96Å; I297-L325 HydrophobicContact CD1-CD2 3.65Å; I297-L325 HydrophobicContact CD1-CG 4.28Å; I300-L325 HydrophobicContact CD1-CD2 4.41Å; L321-L325 HydrophobicContact CD1-CD1 4.28Å; L321-L325 HydrophobicContact CD1-CG 4.38Å; L321-L325 HydrophobicContact CG-CD1 4.15Å; L321-L325 VanDerWaalsContact O-CG 3.29Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.96Å; W322-L325 HydrophobicContact CE3-CD1 3.85Å; W322-L325 HydrophobicContact CZ3-CD1 4.02Å; W322-L325 PolarHBondContact O-N 2.6Å; L325-E328 PolarHBondContact O-N 3.28Å; L325-F329 PolarHBondContact O-N 2.96Å; L325-L336 HydrophobicContact CD2-CB 3.97Å; L325-L336 HydrophobicContact CD2-CD1 4.37Å; L325-V337 HydrophobicContact CD1-CG1 4.45Å; L325-L393 HydrophobicContact CB-CD1 4.05Å |
| 326 | L | 98.7 | Very high | 98.1 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 172.9 | 177.1 | 59.4 | 0 | 0 | 0 | 111.2 | W322 E323 R324 E328 F329 E330 A389 K392 L393 | W322-L326 PolarHBondContact O-N 3Å; E323-L326 PolarHBondContact O-N 3.01Å; R324-L326 VanDerWaalsContact C-N 3.35Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.46Å; L326-F329 HydrophobicContact CD1-CD1 4.45Å; L326-F329 WeakPolarHBondContact O-CB 3.39Å; L326-F329 PolarHBondContact O-N 3.15Å; L326-F329 VanDerWaalsContact O-N 3.11Å; L326-E330 HydrophobicContact CD1-CG 4.03Å; L326-E330 HydrophobicContact CG-CG 4.38Å; L326-E330 WeakPolarHBondContact O-CG 3.49Å; L326-E330 PolarHBondContact O-N 2.79Å; L326-A389 HydrophobicContact CD2-CB 4.49Å; L326-K392 HydrophobicContact CD1-CB 3.55Å; L326-K392 HydrophobicContact CD1-CG 4.43Å; L326-K392 HydrophobicContact CD2-CB 3.91Å; L326-K392 HydrophobicContact CD2-CG 4.17Å; L326-K392 HydrophobicContact CG-CB 4.39Å; L326-L393 HydrophobicContact CB-CD1 4.46Å; L326-L393 HydrophobicContact CB-CD2 4.39Å; L326-L393 HydrophobicContact CB-CG 4.25Å; L326-L393 HydrophobicContact CD1-CD2 4.45Å; L326-L393 HydrophobicContact CD1-CG 4.43Å |
| 327 | L | 98.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.5 | -178.1 | 66.7 | 0 | 0 | 0 | 112.6 | E323 R324 R331 | E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 PolarHBondContact O-N 3.16Å; R324-L327 PolarHBondContact O-N 3.39Å; L327-R331 VanDerWaalsContact O-CB 3.24Å; L327-R331 WeakPolarHBondContact O-CB 3.41Å; L327-R331 PolarHBondContact O-N 3.41Å |
| 328 | E | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 172.8 | -83.7 | -46.2 | 96 | 0 | 0 | 111.6 | I297 R301 R324 L325 L326 R331 T332 L336 | I297-E328 HydrophobicContact CD1-CG 4.29Å; I297-E328 HydrophobicContact CG1-CG 4.2Å; I297-E328 HydrophobicContact CG2-CG 3.77Å; R301-E328 IonicContact CZ-OE2 3.36Å; R301-E328 IonicContact NH1-OE2 2.84Å; R301-E328 PolarHBondContact NH1-OE2 3Å; R301-E328 VanDerWaalsContact NH1-OE2 3.07Å; R301-E328 IonicContact NH2-OE2 3.04Å; R301-E328 PolarHBondContact NH2-OE2 3.44Å; R324-E328 IonicContact CZ-OE1 2.78Å; R324-E328 VanDerWaalsContact NH1-CD 3.3Å; R324-E328 IonicContact NH1-OE1 4Å; R324-E328 PolarHBondContact NH1-OE1 3.22Å; R324-E328 VanDerWaalsContact NH2-CD 3.34Å; R324-E328 IonicContact NH2-OE1 3.07Å; R324-E328 PolarHBondContact NH2-OE1 3.37Å; R324-E328 PolarHBondContact O-N 2.88Å; L325-E328 PolarHBondContact O-N 3.28Å; L326-E328 VanDerWaalsContact C-N 3.34Å; L326-E328 PolarHBondContact O-N 3.46Å; E328-R331 PolarHBondContact O-N 3.21Å; E328-R331 IonicContact OE1-CZ 3.86Å; E328-R331 IonicContact OE1-NE 3.14Å; E328-R331 IonicContact OE1-NH2 2.73Å; E328-R331 PolarHBondContact OE1-NH2 3.39Å; E328-R331 IonicContact OE2-CZ 3.65Å; E328-R331 IonicContact OE2-NH2 3.35Å; E328-R331 PolarHBondContact OE2-NH2 3.46Å; E328-T332 WeakPolarHBondContact O-CB 3.18Å; E328-T332 PolarHBondContact O-N 3.06Å; E328-T332 PolarHBondContact O-OG1 2.79Å; E328-L336 HydrophobicContact CB-CD1 4.03Å; E328-L336 HydrophobicContact CG-CD1 3.96Å |
| 329 | F | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 41.9 Ų | 41.9 | 26% | 0.263 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 179.1 | 173 | -108 | 0 | 0 | 0 | 111.3 | L325 L326 R331 T332 G333 L335 L393 A396 | L325-F329 PolarHBondContact O-N 2.96Å; L326-F329 HydrophobicContact CD1-CD1 4.45Å; L326-F329 WeakPolarHBondContact O-CB 3.39Å; L326-F329 PolarHBondContact O-N 3.15Å; L326-F329 VanDerWaalsContact O-N 3.11Å; F329-R331 VanDerWaalsContact C-N 3.3Å; F329-R331 PolarHBondContact O-N 3.04Å; F329-T332 PolarHBondContact O-N 3.2Å; F329-G333 WeakPolarHBondContact O-CA 3.4Å; F329-G333 PolarHBondContact O-N 3.06Å; F329-L335 HydrophobicContact CD2-CB 4.23Å; F329-L335 HydrophobicContact CD2-CD1 4.42Å; F329-L393 HydrophobicContact CB-CD2 4.32Å; F329-A396 HydrophobicContact CD1-CB 4.09Å; F329-A396 HydrophobicContact CD2-CB 4.44Å; F329-A396 HydrophobicContact CE1-CB 3.44Å; F329-A396 VanDerWaalsContact CE1-CB 3.44Å; F329-A396 HydrophobicContact CE2-CB 3.86Å; F329-A396 HydrophobicContact CZ-CB 3.31Å |
| 330 | E | 97.9 | Very high | 98.1 | Very high | 130 Ų | 130 | 41.9 Ų | 41.9 | 61% | 0.607 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.2 | -35.3 | 178.5 | -70.6 | 178.9 | 157.2 | 0 | 0 | 112.5 | L326 | L326-E330 HydrophobicContact CD1-CG 4.03Å; L326-E330 HydrophobicContact CG-CG 4.38Å; L326-E330 WeakPolarHBondContact O-CG 3.49Å; L326-E330 PolarHBondContact O-N 2.79Å |
| 331 | R | 97.6 | Very high | 98 | Very high | 167 Ų | 167 | 39.3 Ų | 39.3 | 63% | 0.63 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -79.8 | -34.7 | -178.6 | -173.1 | 178.2 | 69.8 | 102.3 | 2.3 | 113.7 | L327 E328 F329 | L327-R331 VanDerWaalsContact O-CB 3.24Å; L327-R331 WeakPolarHBondContact O-CB 3.41Å; L327-R331 PolarHBondContact O-N 3.41Å; E328-R331 PolarHBondContact O-N 3.21Å; E328-R331 IonicContact OE1-CZ 3.86Å; E328-R331 IonicContact OE1-NE 3.14Å; E328-R331 IonicContact OE1-NH2 2.73Å; E328-R331 PolarHBondContact OE1-NH2 3.39Å; E328-R331 IonicContact OE2-CZ 3.65Å; E328-R331 IonicContact OE2-NH2 3.35Å; E328-R331 PolarHBondContact OE2-NH2 3.46Å; F329-R331 VanDerWaalsContact C-N 3.3Å; F329-R331 PolarHBondContact O-N 3.04Å |
| 332 | T | 97.1 | Very high | 98 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -120.7 | -15.1 | -167.3 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | E328 F329 E334 | E328-T332 WeakPolarHBondContact O-CB 3.18Å; E328-T332 PolarHBondContact O-N 3.06Å; E328-T332 PolarHBondContact O-OG1 2.79Å; F329-T332 PolarHBondContact O-N 3.2Å; T332-E334 PolarHBondContact O-N 3.03Å; T332-E334 WeakPolarHBondContact OG1-CB 3.39Å; T332-E334 PolarHBondContact OG1-N 2.92Å |
| 333 | G | 96.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 57% | 0.567 | 20% | 0.203 | S | C | * | . | trans | 72.7 | -1.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | F329 L335 | F329-G333 WeakPolarHBondContact O-CA 3.4Å; F329-G333 PolarHBondContact O-N 3.06Å; G333-L335 PolarHBondContact O-N 3.02Å | ||
| 334 | E | 96.9 | Very high | 97.5 | Very high | 62 Ų | 62 | 38.5 Ų | 38.5 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | trans | -83.4 | 110.2 | -177.6 | -170.5 | -174.7 | -166.1 | 0 | 0 | 111.1 | R301 R304 T332 L336 | R301-E334 IonicContact CZ-OE2 3.81Å; R301-E334 IonicContact NE-OE1 2.72Å; R301-E334 IonicContact NE-OE2 3.77Å; R301-E334 PolarHBondContact NE-OE2 3.4Å; R301-E334 IonicContact NH2-OE2 2.61Å; R301-E334 PolarHBondContact NH2-OE2 3.3Å; R304-E334 IonicContact NH1-OE1 3.9Å; T332-E334 PolarHBondContact O-N 3.03Å; T332-E334 WeakPolarHBondContact OG1-CB 3.39Å; T332-E334 PolarHBondContact OG1-N 2.92Å; E334-L336 HydrophobicContact CG-CD2 3.89Å; E334-L336 HydrophobicContact CG-CG 4.24Å; E334-L336 PolarHBondContact O-N 3.39Å; E334-L336 WeakPolarHBondContact OE1-CD2 3.33Å | ||
| 335 | L | 97.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 22% | 0.22 | 20% | 0.204 | C | C | . | . | trans | -77.7 | 106.2 | 168.7 | -172 | 67.9 | 0 | 0 | 0 | 109.6 | R304 F329 G333 V337 L393 A396 M398 | R304-L335 PolarHBondContact NH1-O 3.34Å; F329-L335 HydrophobicContact CD2-CB 4.23Å; F329-L335 HydrophobicContact CD2-CD1 4.42Å; G333-L335 PolarHBondContact O-N 3.02Å; L335-V337 HydrophobicContact CD1-CG1 4.32Å; L335-V337 WeakPolarHBondContact CG-O 3.02Å; L335-L393 HydrophobicContact CD1-CD2 3.99Å; L335-A396 HydrophobicContact CD1-CB 4.29Å; L335-M398 HydrophobicContact CD1-CB 4.46Å | ||
| 336 | L | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -86.1 | -12.8 | -175.5 | -73.2 | 175.2 | 0 | 0 | 0 | 114.5 | V243 I297 I300 R301 L325 E328 E334 | V243-L336 VanDerWaalsContact CB-O 3.26Å; V243-L336 WeakPolarHBondContact CB-O 3.21Å; V243-L336 WeakPolarHBondContact CG1-O 3.35Å; V243-L336 VanDerWaalsContact CG2-O 3.32Å; V243-L336 WeakPolarHBondContact CG2-O 3.24Å; I297-L336 HydrophobicContact CD1-CD1 4.05Å; I297-L336 HydrophobicContact CG2-CD1 3.82Å; I300-L336 HydrophobicContact CG2-CB 4.41Å; I300-L336 HydrophobicContact CG2-CD2 4.48Å; R301-L336 HydrophobicContact CG-CD2 3.66Å; L325-L336 HydrophobicContact CD2-CB 3.97Å; L325-L336 HydrophobicContact CD2-CD1 4.37Å; E328-L336 HydrophobicContact CB-CD1 4.03Å; E328-L336 HydrophobicContact CG-CD1 3.96Å; E334-L336 HydrophobicContact CG-CD2 3.89Å; E334-L336 HydrophobicContact CG-CG 4.24Å; E334-L336 PolarHBondContact O-N 3.39Å; E334-L336 WeakPolarHBondContact OE1-CD2 3.33Å | ||
| 337 | V | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | trans | -122.5 | 125.6 | -174.8 | 54.1 | 0 | 0 | 0 | 0 | 109.7 | V245 W322 L325 L335 L339 M398 | V245-V337 HydrophobicContact CB-CG2 3.94Å; V245-V337 HydrophobicContact CG2-CB 4.04Å; V245-V337 HydrophobicContact CG2-CG2 3.55Å; W322-V337 HydrophobicContact CH2-CG2 4.37Å; W322-V337 HydrophobicContact CZ3-CG1 4.27Å; W322-V337 HydrophobicContact CZ3-CG2 4.19Å; L325-V337 HydrophobicContact CD1-CG1 4.45Å; L335-V337 HydrophobicContact CD1-CG1 4.32Å; L335-V337 WeakPolarHBondContact CG-O 3.02Å; V337-L339 VanDerWaalsContact CG2-O 3.29Å; V337-L339 WeakPolarHBondContact CG2-O 3.37Å; V337-M398 HydrophobicContact CB-SD 4.35Å; V337-M398 HydrophobicContact CG1-CB 4.39Å; V337-M398 HydrophobicContact CG1-CG 3.98Å; V337-M398 HydrophobicContact CG1-SD 3.59Å; V337-M398 VanDerWaalsContact CG1-SD 3.59Å; V337-M398 HydrophobicContact CG2-CG 4.04Å; V337-M398 HydrophobicContact CG2-SD 3.81Å | ||
| 338 | D | 98.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -91.5 | -43 | 176.9 | -56.2 | -96.9 | 0 | 0 | 0 | 110.4 | L234 R242 V243 F399 | L234-D338 HydrophobicContact CD1-CB 3.97Å; L234-D338 HydrophobicContact CD2-CB 4.06Å; R242-D338 WeakPolarHBondContact CA-OD2 2.95Å; R242-D338 IonicContact CZ-OD1 3.47Å; R242-D338 IonicContact NH1-OD1 3.28Å; R242-D338 PolarHBondContact NH1-OD1 3.3Å; V243-D338 PolarHBondContact N-OD2 3.16Å; V243-D338 PolarHBondContact O-N 3.35Å; V243-D338 VanDerWaalsContact O-N 3.08Å; D338-F399 PolarHBondContact O-N 3.29Å |
| 339 | L | 98.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.7 | -172.8 | -67.1 | -178.7 | 0 | 0 | 0 | 110.6 | A229 L234 V243 F244 V245 V337 F399 W401 | A229-L339 HydrophobicContact CB-CD1 4.23Å; A229-L339 HydrophobicContact CB-CD2 4.39Å; L234-L339 HydrophobicContact CD1-CD1 4.05Å; L234-L339 HydrophobicContact CD1-CD2 4.18Å; L234-L339 HydrophobicContact CD1-CG 3.95Å; L234-L339 HydrophobicContact CD2-CD2 4.25Å; L234-L339 HydrophobicContact CG-CD2 4.09Å; L234-L339 HydrophobicContact CG-CG 4.42Å; V243-L339 PolarHBondContact O-N 3.4Å; F244-L339 CarbonylContact C-O 3.59Å; F244-L339 VanDerWaalsContact CA-O 3.3Å; F244-L339 WeakPolarHBondContact CA-O 3.35Å; F244-L339 HydrophobicContact CB-CB 4.33Å; F244-L339 HydrophobicContact CD2-CB 3.98Å; V245-L339 PolarHBondContact N-O 3.27Å; V337-L339 VanDerWaalsContact CG2-O 3.29Å; V337-L339 WeakPolarHBondContact CG2-O 3.37Å; L339-F399 CarbonylContact C-O 3.59Å; L339-F399 WeakPolarHBondContact CA-O 3.04Å; L339-F399 HydrophobicContact CD2-CB 4.13Å; L339-F399 HydrophobicContact CD2-CD1 4.42Å; L339-W401 HydrophobicContact CB-CH2 4.14Å; L339-W401 HydrophobicContact CB-CZ3 3.81Å; L339-W401 HydrophobicContact CD2-CZ3 4.09Å; L339-W401 HydrophobicContact CG-CZ3 4.34Å |
| 340 | G | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V245 F399 F400 W401 | V245-G340 WeakPolarHBondContact O-CA 3.33Å; G340-F399 PolarHBondContact N-O 3.5Å; G340-F400 VanDerWaalsContact C-CD2 3.45Å; G340-F400 VanDerWaalsContact O-CA 3.31Å; G340-F400 WeakPolarHBondContact O-CA 3.48Å; G340-F400 WeakPolarHBondContact O-CD2 3.15Å; G340-W401 WeakPolarHBondContact O-CZ3 3.31Å; G340-W401 PolarHBondContact O-N 3.41Å; G340-W401 VanDerWaalsContact O-N 3.1Å |
| 341 | S | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -152.6 | -176.3 | 169.4 | -159.1 | 0 | 0 | 0 | 0 | 111.6 | V245 T246 F400 W401 Y403 | V245-S341 PolarHBondContact O-N 3.05Å; T246-S341 WeakPolarHBondContact CA-O 3.2Å; S341-F400 VanDerWaalsContact CA-CE2 3.48Å; S341-W401 WeakPolarHBondContact CA-O 3.45Å; S341-W401 WeakPolarHBondContact CB-O 3.49Å; S341-W401 PolarHBondContact OG-NE1 2.88Å; S341-W401 PolarHBondContact OG-O 2.86Å; S341-Y403 WeakPolarHBondContact OG-CD2 3.4Å | ||
| 342 | D | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -144.3 | 136.9 | 174.9 | -177.9 | -83.5 | 0 | 0 | 0 | 110.3 | S247 T344 H386 F400 Y403 N405 F407 | S247-D342 WeakPolarHBondContact CB-OD2 3.4Å; S247-D342 WeakPolarHBondContact OG-CA 3.28Å; S247-D342 PolarHBondContact OG-OD2 2.88Å; D342-T344 PolarHBondContact OD1-N 2.79Å; D342-T344 PolarHBondContact OD1-OG1 3.39Å; D342-T344 PolarHBondContact OD2-OG1 2.87Å; D342-H386 IonicContact OD2-CE1 3.93Å; D342-H386 PolarHBondContact OD2-CE1 3.44Å; D342-F400 HydrophobicContact CB-CZ 4.34Å; D342-Y403 WeakPolarHBondContact O-CB 3.17Å; D342-N405 PolarHBondContact O-ND2 3.14Å; D342-N405 PolarHBondContact OD1-ND2 3.5Å; D342-F407 HydrophobicContact CB-CD1 4.32Å; D342-F407 HydrophobicContact CB-CD2 4.49Å; D342-F407 HydrophobicContact CB-CG 4.24Å | ||
| 343 | Q | 94.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 9% | 0.089 | 14% | 0.135 | C | C | . | . | trans | -134.8 | 31.8 | 175.2 | -149.8 | -178.9 | -49.5 | 0 | 0 | 112.2 | S247 S253 Y403 | S247-Q343 PolarHBondContact OG-N 2.95Å; S247-Q343 VanDerWaalsContact OG-N 3.07Å; S253-Q343 VanDerWaalsContact CA-NE2 3.26Å; S253-Q343 WeakPolarHBondContact CB-O 3.13Å; Q343-Y403 HydrophobicContact CG-CD1 4.04Å; Q343-Y403 HydrophobicContact CG-CG 4.38Å; Q343-Y403 VanDerWaalsContact OE1-CD1 3.3Å | ||
| 344 | T | 93.4 | Very high | 92 | Very high | 24 Ų | 24 | 19.3 Ų | 19.3 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -64.9 | 162.9 | 164.1 | 56 | 0 | 0 | 0 | 0 | 110.4 | D342 L346 Y354 N405 | D342-T344 PolarHBondContact OD1-N 2.79Å; D342-T344 PolarHBondContact OD1-OG1 3.39Å; D342-T344 PolarHBondContact OD2-OG1 2.87Å; T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 3.11Å; T344-L346 VanDerWaalsContact O-N 3.07Å; T344-L346 WeakPolarHBondContact OG1-CD2 3.43Å; T344-Y354 HydrophobicContact CG2-CD2 4.23Å; T344-Y354 HydrophobicContact CG2-CE2 4.45Å; T344-Y354 WeakPolarHBondContact OG1-CD2 3.26Å; T344-N405 PolarHBondContact N-ND2 2.82Å; T344-N405 WeakPolarHBondContact O-CB 3.35Å; T344-N405 PolarHBondContact O-ND2 3.13Å |
| 345 | S | 89.1 | Confident | 91.9 | Very high | 41 Ų | 41 | 18.3 Ų | 18.3 | 29% | 0.287 | 10% | 0.103 | S | C | . | . | trans | -90.3 | 64 | -170.5 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | H347 N348 G353 | S345-H347 VanDerWaalsContact CB-CE1 3.46Å; S345-H347 WeakPolarHBondContact CB-CE1 3.31Å; S345-H347 PolarHBondContact O-N 2.71Å; S345-N348 CarbonylContact O-C 3.54Å; S345-N348 WeakPolarHBondContact O-CA 3.46Å; S345-N348 PolarHBondContact O-N 3.31Å; S345-G353 WeakPolarHBondContact CA-O 3.08Å; S345-G353 WeakPolarHBondContact CB-O 3.15Å; S345-G353 PolarHBondContact N-O 3.3Å; S345-G353 CarbonylContact O-C 3.58Å; S345-G353 VanDerWaalsContact O-CA 3.31Å; S345-G353 WeakPolarHBondContact O-CA 3.41Å | ||
| 346 | L | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.2 | -177.4 | -88.5 | -71.4 | 0 | 0 | 0 | 113.7 | T344 N348 P349 Y354 L383 N405 A406 F407 E410 | T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 3.11Å; T344-L346 VanDerWaalsContact O-N 3.07Å; T344-L346 WeakPolarHBondContact OG1-CD2 3.43Å; L346-N348 PolarHBondContact O-N 3.27Å; L346-P349 HydrophobicContact CD1-CB 3.76Å; L346-P349 VanDerWaalsContact O-CD 3.28Å; L346-P349 WeakPolarHBondContact O-CD 3.06Å; L346-Y354 HydrophobicContact CD1-CD2 4.45Å; L346-Y354 HydrophobicContact CD1-CG 4.47Å; L346-Y354 HydrophobicContact CD2-CD2 3.42Å; L346-Y354 VanDerWaalsContact CD2-CD2 3.42Å; L346-Y354 HydrophobicContact CD2-CE2 4.2Å; L346-Y354 HydrophobicContact CD2-CG 4.03Å; L346-Y354 HydrophobicContact CG-CD2 4.49Å; L346-L383 HydrophobicContact CD1-CD1 3.99Å; L346-L383 HydrophobicContact CD1-CD2 3.87Å; L346-N405 CarbonylContact C-O 3.59Å; L346-N405 WeakPolarHBondContact CA-O 3.25Å; L346-N405 WeakPolarHBondContact CB-O 3.46Å; L346-N405 PolarHBondContact N-O 2.97Å; L346-A406 HydrophobicContact CB-CB 4.46Å; L346-F407 HydrophobicContact CG-CB 4.41Å; L346-F407 HydrophobicContact CG-CD2 4.37Å; L346-E410 HydrophobicContact CB-CG 4.34Å; L346-E410 HydrophobicContact CD1-CB 3.62Å; L346-E410 HydrophobicContact CD1-CG 4.03Å; L346-E410 HydrophobicContact CG-CB 4.45Å; L346-E410 WeakPolarHBondContact O-CG 3.29Å |
| 347 | H | 83.6 | Confident | 91.9 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -24.5 | 162.7 | 68.4 | -77.9 | 0 | 0 | 0 | 111.3 | G126 R188 S345 N405 V594 | G126-H347 PolarHBondContact O-NE2 2.68Å; R188-H347 PolarHBondContact NH1-O 3.33Å; R188-H347 PolarHBondContact NH2-O 3.15Å; S345-H347 VanDerWaalsContact CB-CE1 3.46Å; S345-H347 WeakPolarHBondContact CB-CE1 3.31Å; S345-H347 PolarHBondContact O-N 2.71Å; H347-N405 PolarHBondContact N-O 3.18Å; H347-V594 WeakPolarHBondContact CA-O 3.49Å; H347-V594 WeakPolarHBondContact CB-O 3.16Å |
| 348 | N | 83.8 | Confident | 91.7 | Very high | 18 Ų | 18 | 20.2 Ų | 20.2 | 10% | 0.096 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -131.7 | 51.7 | -177.4 | -65.9 | -10.8 | 0 | 0 | 0 | 114.5 | N128 R188 S345 L346 Y350 N351 G353 | N128-N348 PolarHBondContact ND2-ND2 3.16Å; N128-N348 PolarHBondContact OD1-ND2 2.92Å; N128-N348 VanDerWaalsContact OD1-ND2 3.1Å; R188-N348 VanDerWaalsContact NH2-CA 3.3Å; S345-N348 CarbonylContact O-C 3.54Å; S345-N348 WeakPolarHBondContact O-CA 3.46Å; S345-N348 PolarHBondContact O-N 3.31Å; L346-N348 PolarHBondContact O-N 3.27Å; N348-Y350 VanDerWaalsContact C-N 3.34Å; N348-Y350 PolarHBondContact O-N 3.49Å; N348-N351 PolarHBondContact O-N 3Å; N348-G353 VanDerWaalsContact O-CA 3.25Å; N348-G353 WeakPolarHBondContact O-CA 3.46Å; N348-G353 PolarHBondContact O-N 3.24Å |
| 349 | P | 88.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -66.9 | -31.7 | -161.3 | 28.8 | -30.2 | 0 | 0 | 0 | 113.9 | L346 Y354 V379 E410 | L346-P349 HydrophobicContact CD1-CB 3.76Å; L346-P349 VanDerWaalsContact O-CD 3.28Å; L346-P349 WeakPolarHBondContact O-CD 3.06Å; P349-Y354 PolarHBondContact O-N 2.95Å; P349-V379 HydrophobicContact CB-CG1 4.39Å; P349-E410 HydrophobicContact CG-CG 4.15Å |
| 350 | Y | 88.6 | Confident | 91.3 | Very high | 46 Ų | 46 | 24.1 Ų | 24.1 | 18% | 0.18 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -95.5 | -4.4 | -173.9 | -46.7 | -49.9 | 0 | 0 | 0 | 114.3 | N348 M368 F375 Q376 V379 Q380 | N348-Y350 VanDerWaalsContact C-N 3.34Å; N348-Y350 PolarHBondContact O-N 3.49Å; Y350-M368 WeakPolarHBondContact O-CG 3.2Å; Y350-F375 WeakPolarHBondContact O-CE1 3.39Å; Y350-Q376 HydrophobicContact CD1-CB 3.9Å; Y350-Q376 HydrophobicContact CD1-CG 3.9Å; Y350-Q376 HydrophobicContact CE1-CB 4.08Å; Y350-Q376 HydrophobicContact CE1-CG 3.59Å; Y350-Q376 HydrophobicContact CE2-CG 4.25Å; Y350-Q376 HydrophobicContact CG-CB 4.32Å; Y350-Q376 HydrophobicContact CG-CG 4.36Å; Y350-V379 HydrophobicContact CD1-CB 4.26Å; Y350-V379 HydrophobicContact CD1-CG1 4.06Å; Y350-V379 HydrophobicContact CE1-CB 4.19Å; Y350-V379 HydrophobicContact CE1-CG1 3.77Å; Y350-Q380 PolarHBondContact OH-NE2 3.47Å |
| 351 | N | 80.4 | Confident | 90.8 | Very high | 81 Ų | 81 | 27 Ų | 27 | 43% | 0.433 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -119.6 | 42.9 | -176.4 | -64.7 | -22.3 | 0 | 0 | 0 | 111.2 | N348 M368 | N348-N351 PolarHBondContact O-N 3Å; N351-M368 VanDerWaalsContact C-SD 3.59Å |
| 352 | G | 79.7 | Confident | 90.4 | Very high | 23 Ų | 23 | 37 Ų | 37 | 24% | 0.237 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | 83.3 | 14.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y355 M368 | G352-Y355 WeakPolarHBondContact O-CE2 3.15Å; G352-M368 VanDerWaalsContact N-CE 3.32Å; G352-M368 PolarHBondContact N-SD 2.93Å |
| 353 | G | 85.1 | Confident | 90.2 | Very high | 10 Ų | 10 | 42 Ų | 42 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -84.1 | -28.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S345 N348 | S345-G353 WeakPolarHBondContact CA-O 3.08Å; S345-G353 WeakPolarHBondContact CB-O 3.15Å; S345-G353 PolarHBondContact N-O 3.3Å; S345-G353 CarbonylContact O-C 3.58Å; S345-G353 VanDerWaalsContact O-CA 3.31Å; S345-G353 WeakPolarHBondContact O-CA 3.41Å; N348-G353 VanDerWaalsContact O-CA 3.25Å; N348-G353 WeakPolarHBondContact O-CA 3.46Å; N348-G353 PolarHBondContact O-N 3.24Å |
| 354 | Y | 93.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | trans | -134.5 | 136.9 | 176.7 | -169.7 | -98.3 | 0 | 0 | 0 | 110.8 | V319 T344 L346 P349 V379 S382 L383 H386 | V319-Y354 WeakPolarHBondContact CG2-OH 3.17Å; T344-Y354 HydrophobicContact CG2-CD2 4.23Å; T344-Y354 HydrophobicContact CG2-CE2 4.45Å; T344-Y354 WeakPolarHBondContact OG1-CD2 3.26Å; L346-Y354 HydrophobicContact CD1-CD2 4.45Å; L346-Y354 HydrophobicContact CD1-CG 4.47Å; L346-Y354 HydrophobicContact CD2-CD2 3.42Å; L346-Y354 VanDerWaalsContact CD2-CD2 3.42Å; L346-Y354 HydrophobicContact CD2-CE2 4.2Å; L346-Y354 HydrophobicContact CD2-CG 4.03Å; L346-Y354 HydrophobicContact CG-CD2 4.49Å; P349-Y354 PolarHBondContact O-N 2.95Å; Y354-V379 HydrophobicContact CD1-CG1 3.84Å; Y354-V379 HydrophobicContact CD1-CG2 4.38Å; Y354-S382 PolarHBondContact OH-OG 3.47Å; Y354-L383 HydrophobicContact CD2-CD2 4.42Å; Y354-L383 HydrophobicContact CE1-CD2 4.08Å; Y354-L383 HydrophobicContact CE1-CG 4.17Å; Y354-L383 HydrophobicContact CE2-CD2 3.94Å; Y354-H386 PolarHBondContact OH-ND1 3.49Å; Y354-H386 VanDerWaalsContact OH-ND1 3.17Å | ||
| 355 | Y | 95.3 | Very high | 89.6 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | trans | -113.2 | 119.1 | -178.8 | -74.1 | -90.8 | 0 | 0 | 0 | 109.7 | V272 N317 G352 F361 A364 N365 M368 | V272-Y355 HydrophobicContact CG2-CD2 3.76Å; V272-Y355 HydrophobicContact CG2-CG 3.75Å; N317-Y355 PolarHBondContact ND2-O 3.24Å; G352-Y355 WeakPolarHBondContact O-CE2 3.15Å; Y355-F361 AromaticContact CD1-CD2 3.68Å; Y355-F361 HydrophobicContact CD1-CD2 3.68Å; Y355-F361 HydrophobicContact CD1-CE2 4.19Å; Y355-F361 HydrophobicContact CD2-CD2 4.45Å; Y355-F361 HydrophobicContact CD2-CE2 4.48Å; Y355-F361 AromaticContact CE1-CD2 3.35Å; Y355-F361 HydrophobicContact CE1-CD2 3.35Å; Y355-F361 AromaticContact CE1-CE2 3.46Å; Y355-F361 HydrophobicContact CE1-CE2 3.46Å; Y355-F361 VanDerWaalsContact CE1-CE2 3.46Å; Y355-F361 HydrophobicContact CE1-CG 4.36Å; Y355-F361 HydrophobicContact CE2-CD2 4.18Å; Y355-F361 AromaticContact CE2-CE2 3.8Å; Y355-F361 HydrophobicContact CE2-CE2 3.8Å; Y355-F361 HydrophobicContact CG-CD2 4.24Å; Y355-F361 AromaticContact CZ-CD2 3.64Å; Y355-F361 AromaticContact CZ-CE2 3.24Å; Y355-F361 VanDerWaalsContact OH-CE2 3.3Å; Y355-F361 WeakPolarHBondContact OH-CE2 3.5Å; Y355-A364 HydrophobicContact CD1-CB 3.54Å; Y355-A364 HydrophobicContact CE1-CB 3.96Å; Y355-N365 WeakPolarHBondContact CE1-OD1 3.15Å; Y355-N365 PolarHBondContact OH-OD1 3.47Å; Y355-M368 HydrophobicContact CE1-CE 4.45Å | ||
| 356 | P | 96.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -76.3 | 141.9 | -173.5 | 31.1 | -35.5 | 0 | 0 | 0 | 112.3 | L359 F375 V378 V379 | P356-L359 HydrophobicContact CG-CB 4.34Å; P356-L359 HydrophobicContact CG-CD1 3.85Å; P356-L359 HydrophobicContact CG-CG 4.19Å; P356-L359 PolarHBondContact O-N 2.63Å; P356-F375 HydrophobicContact CG-CE2 4.13Å; P356-V378 HydrophobicContact CB-CB 4.38Å; P356-V378 HydrophobicContact CB-CG1 3.73Å; P356-V378 HydrophobicContact CG-CB 4.33Å; P356-V378 HydrophobicContact CG-CG1 3.86Å; P356-V379 HydrophobicContact CB-CG2 4.39Å; P356-V379 HydrophobicContact CG-CG2 4.24Å | ||
| 357 | V | 97.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.2 | -176.8 | 65.7 | 0 | 0 | 0 | 0 | 116.5 | N317 V319 D320 L359 S382 R385 | N317-V357 HydrophobicContact CB-CB 4.41Å; N317-V357 HydrophobicContact CB-CG2 4.16Å; N317-V357 WeakPolarHBondContact ND2-CA 3.43Å; N317-V357 PolarHBondContact ND2-N 3.4Å; V319-V357 HydrophobicContact CB-CB 3.9Å; V319-V357 HydrophobicContact CB-CG1 4.29Å; V319-V357 HydrophobicContact CB-CG2 4.04Å; V319-V357 HydrophobicContact CG1-CB 4.18Å; V319-V357 HydrophobicContact CG1-CG1 4.04Å; V319-V357 HydrophobicContact CG1-CG2 4.25Å; V319-V357 HydrophobicContact CG2-CB 4.38Å; D320-V357 WeakPolarHBondContact OD1-CG2 3.49Å; V357-L359 PolarHBondContact O-N 3.28Å; V357-S382 PolarHBondContact N-OG 3.49Å; V357-S382 VanDerWaalsContact N-OG 3.12Å; V357-R385 VanDerWaalsContact CG1-CZ 3.44Å |
| 358 | P | 95.1 | Very high | 89.7 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.9 | -178.3 | -15.8 | 33.4 | 0 | 0 | 0 | 114.1 | V378 | P358-V378 HydrophobicContact CB-CG1 4.46Å; P358-V378 HydrophobicContact CG-CG1 3.99Å |
| 359 | L | 94.8 | Very high | 89.5 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -116.5 | 140.2 | -174.6 | -58 | -179.4 | 0 | 0 | 0 | 110.6 | P356 V357 Q363 A364 L367 V378 | P356-L359 HydrophobicContact CG-CB 4.34Å; P356-L359 HydrophobicContact CG-CD1 3.85Å; P356-L359 HydrophobicContact CG-CG 4.19Å; P356-L359 PolarHBondContact O-N 2.63Å; V357-L359 PolarHBondContact O-N 3.28Å; L359-Q363 HydrophobicContact CB-CB 4.3Å; L359-Q363 HydrophobicContact CD2-CB 4.48Å; L359-A364 HydrophobicContact CB-CB 4.24Å; L359-A364 HydrophobicContact CD1-CB 4.44Å; L359-L367 HydrophobicContact CD1-CD2 3.66Å; L359-V378 HydrophobicContact CD1-CG1 4.3Å; L359-V378 HydrophobicContact CG-CG1 4.34Å |
| 360 | S | 93.3 | Very high | 89.4 | Confident | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | trans | -65.9 | 157.5 | 163.1 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | R362 Q363 A364 | S360-R362 PolarHBondContact O-N 3.18Å; S360-Q363 PolarHBondContact O-N 3.26Å; S360-Q363 WeakPolarHBondContact OG-CB 3.44Å; S360-Q363 VanDerWaalsContact OG-CD 3.24Å; S360-Q363 VanDerWaalsContact OG-CG 3.28Å; S360-Q363 WeakPolarHBondContact OG-CG 3.34Å; S360-Q363 PolarHBondContact OG-N 3.26Å; S360-Q363 PolarHBondContact OG-OE1 3.05Å; S360-A364 WeakPolarHBondContact O-CB 3.08Å; S360-A364 PolarHBondContact O-N 2.74Å | ||
| 361 | F | 87.4 | Confident | 89.4 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -50.9 | -42.8 | 176.5 | -179.5 | -107.1 | 0 | 0 | 0 | 112.8 | V272 D273 Y355 A364 N365 | V272-F361 HydrophobicContact CG2-CD2 4.1Å; D273-F361 HydrophobicContact CB-CD2 4.11Å; D273-F361 HydrophobicContact CB-CE1 4.36Å; D273-F361 HydrophobicContact CB-CE2 3.64Å; D273-F361 HydrophobicContact CB-CZ 3.78Å; D273-F361 VanDerWaalsContact CG-CZ 3.42Å; D273-F361 WeakPolarHBondContact OD2-CZ 3.44Å; Y355-F361 AromaticContact CD1-CD2 3.68Å; Y355-F361 HydrophobicContact CD1-CD2 3.68Å; Y355-F361 HydrophobicContact CD1-CE2 4.19Å; Y355-F361 HydrophobicContact CD2-CD2 4.45Å; Y355-F361 HydrophobicContact CD2-CE2 4.48Å; Y355-F361 AromaticContact CE1-CD2 3.35Å; Y355-F361 HydrophobicContact CE1-CD2 3.35Å; Y355-F361 AromaticContact CE1-CE2 3.46Å; Y355-F361 HydrophobicContact CE1-CE2 3.46Å; Y355-F361 VanDerWaalsContact CE1-CE2 3.46Å; Y355-F361 HydrophobicContact CE1-CG 4.36Å; Y355-F361 HydrophobicContact CE2-CD2 4.18Å; Y355-F361 AromaticContact CE2-CE2 3.8Å; Y355-F361 HydrophobicContact CE2-CE2 3.8Å; Y355-F361 HydrophobicContact CG-CD2 4.24Å; Y355-F361 AromaticContact CZ-CD2 3.64Å; Y355-F361 AromaticContact CZ-CE2 3.24Å; Y355-F361 VanDerWaalsContact OH-CE2 3.3Å; Y355-F361 WeakPolarHBondContact OH-CE2 3.5Å; F361-A364 PolarHBondContact O-N 2.74Å; F361-N365 WeakPolarHBondContact CD1-ND2 3.37Å; F361-N365 WeakPolarHBondContact CE1-ND2 3.36Å; F361-N365 VanDerWaalsContact CZ-ND2 3.28Å; F361-N365 WeakPolarHBondContact CZ-ND2 3.3Å; F361-N365 PolarHBondContact O-N 3.37Å; F361-N365 PolarHBondContact O-ND2 2.82Å; F361-N365 VanDerWaalsContact O-ND2 3.16Å |
| 362 | R | 89.6 | Confident | 89.8 | Confident | 209 Ų | 209 | 57.9 Ų | 57.9 | 79% | 0.789 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 177.9 | -170.2 | -179.5 | -170.2 | 176.7 | 4 | 112.5 | S360 N365 Q366 | S360-R362 PolarHBondContact O-N 3.18Å; R362-N365 PolarHBondContact O-N 3.27Å; R362-Q366 PolarHBondContact O-N 2.97Å; R362-Q366 VanDerWaalsContact O-N 3.11Å |
| 363 | Q | 92.4 | Very high | 90.3 | Very high | 104 Ų | 104 | 58.8 Ų | 58.8 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.4 | -73.5 | 164.5 | -44 | 0 | 0 | 111.3 | L359 S360 Q366 L367 | L359-Q363 HydrophobicContact CB-CB 4.3Å; L359-Q363 HydrophobicContact CD2-CB 4.48Å; S360-Q363 PolarHBondContact O-N 3.26Å; S360-Q363 WeakPolarHBondContact OG-CB 3.44Å; S360-Q363 VanDerWaalsContact OG-CD 3.24Å; S360-Q363 VanDerWaalsContact OG-CG 3.28Å; S360-Q363 WeakPolarHBondContact OG-CG 3.34Å; S360-Q363 PolarHBondContact OG-N 3.26Å; S360-Q363 PolarHBondContact OG-OE1 3.05Å; Q363-Q366 PolarHBondContact O-N 3.47Å; Q363-L367 WeakPolarHBondContact O-CB 3.33Å; Q363-L367 PolarHBondContact O-N 3.01Å |
| 364 | A | 91.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y355 L359 S360 F361 Q366 L367 M368 F375 | Y355-A364 HydrophobicContact CD1-CB 3.54Å; Y355-A364 HydrophobicContact CE1-CB 3.96Å; L359-A364 HydrophobicContact CB-CB 4.24Å; L359-A364 HydrophobicContact CD1-CB 4.44Å; S360-A364 WeakPolarHBondContact O-CB 3.08Å; S360-A364 PolarHBondContact O-N 2.74Å; F361-A364 PolarHBondContact O-N 2.74Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 3.36Å; A364-L367 PolarHBondContact O-N 3.16Å; A364-M368 VanDerWaalsContact O-CB 3.25Å; A364-M368 WeakPolarHBondContact O-CB 3.45Å; A364-M368 PolarHBondContact O-N 3.39Å; A364-F375 HydrophobicContact CB-CE2 3.93Å |
| 365 | N | 84.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 177.1 | -73.6 | -34.1 | 0 | 0 | 0 | 112.7 | Y355 F361 R362 | Y355-N365 WeakPolarHBondContact CE1-OD1 3.15Å; Y355-N365 PolarHBondContact OH-OD1 3.47Å; F361-N365 WeakPolarHBondContact CD1-ND2 3.37Å; F361-N365 WeakPolarHBondContact CE1-ND2 3.36Å; F361-N365 VanDerWaalsContact CZ-ND2 3.28Å; F361-N365 WeakPolarHBondContact CZ-ND2 3.3Å; F361-N365 PolarHBondContact O-N 3.37Å; F361-N365 PolarHBondContact O-ND2 2.82Å; F361-N365 VanDerWaalsContact O-ND2 3.16Å; R362-N365 PolarHBondContact O-N 3.27Å |
| 366 | Q | 88 | Confident | 90.7 | Very high | 126 Ų | 126 | 62.1 Ų | 62.1 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.7 | -53 | 174.8 | -174.7 | 176.3 | -1 | 0 | 0 | 111 | R362 Q363 A364 M368 S369 T370 | R362-Q366 PolarHBondContact O-N 2.97Å; R362-Q366 VanDerWaalsContact O-N 3.11Å; Q363-Q366 PolarHBondContact O-N 3.47Å; A364-Q366 VanDerWaalsContact C-N 3.31Å; A364-Q366 PolarHBondContact O-N 3.36Å; Q366-M368 VanDerWaalsContact C-N 3.3Å; Q366-M368 PolarHBondContact O-N 3.36Å; Q366-S369 PolarHBondContact O-N 3.42Å; Q366-S369 PolarHBondContact O-OG 3.37Å; Q366-T370 HydrophobicContact CG-CG2 4.25Å; Q366-T370 PolarHBondContact O-N 3Å; Q366-T370 PolarHBondContact O-OG1 3.1Å |
| 367 | L | 89.9 | Confident | 90.7 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | -176.4 | -172.2 | 66.6 | 0 | 0 | 0 | 112.2 | L359 Q363 A364 S369 T370 D371 C374 F375 | L359-L367 HydrophobicContact CD1-CD2 3.66Å; Q363-L367 WeakPolarHBondContact O-CB 3.33Å; Q363-L367 PolarHBondContact O-N 3.01Å; A364-L367 PolarHBondContact O-N 3.16Å; L367-S369 PolarHBondContact O-N 3.35Å; L367-S369 VanDerWaalsContact O-N 3.16Å; L367-T370 PolarHBondContact O-N 3.46Å; L367-D371 HydrophobicContact CD1-CB 3.99Å; L367-D371 CarbonylContact O-C 3.58Å; L367-D371 PolarHBondContact O-N 2.95Å; L367-C374 HydrophobicContact CD1-CB 4.27Å; L367-F375 HydrophobicContact CB-CD2 4.44Å; L367-F375 HydrophobicContact CD2-CB 4.28Å; L367-F375 HydrophobicContact CD2-CD2 4.35Å; L367-F375 HydrophobicContact CG-CB 4.14Å |
| 368 | M | 86.8 | Confident | 90.7 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 15% | 0.148 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.8 | -33.2 | 176.3 | -173.3 | -167 | -48.9 | 0 | 0 | 112.8 | Y350 N351 G352 Y355 A364 Q366 P372 F375 | Y350-M368 WeakPolarHBondContact O-CG 3.2Å; N351-M368 VanDerWaalsContact C-SD 3.59Å; G352-M368 VanDerWaalsContact N-CE 3.32Å; G352-M368 PolarHBondContact N-SD 2.93Å; Y355-M368 HydrophobicContact CE1-CE 4.45Å; A364-M368 VanDerWaalsContact O-CB 3.25Å; A364-M368 WeakPolarHBondContact O-CB 3.45Å; A364-M368 PolarHBondContact O-N 3.39Å; Q366-M368 VanDerWaalsContact C-N 3.3Å; Q366-M368 PolarHBondContact O-N 3.36Å; M368-P372 WeakPolarHBondContact O-CG 3.29Å; M368-F375 HydrophobicContact CB-CD1 4.07Å; M368-F375 HydrophobicContact CB-CD2 4.21Å; M368-F375 HydrophobicContact CB-CE1 4.24Å; M368-F375 HydrophobicContact CB-CE2 4.39Å; M368-F375 HydrophobicContact CB-CG 4.06Å; M368-F375 HydrophobicContact CB-CZ 4.41Å; M368-F375 HydrophobicContact CE-CE1 3.99Å; M368-F375 HydrophobicContact CE-CE2 4.37Å; M368-F375 HydrophobicContact CE-CZ 3.75Å; M368-F375 HydrophobicContact CG-CD1 3.97Å; M368-F375 HydrophobicContact CG-CE1 3.98Å; M368-F375 HydrophobicContact CG-CG 4.46Å; M368-F375 HydrophobicContact CG-CZ 4.5Å |
| 369 | S | 81.3 | Confident | 90.8 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -89.4 | -36.6 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | Q366 L367 | Q366-S369 PolarHBondContact O-N 3.42Å; Q366-S369 PolarHBondContact O-OG 3.37Å; L367-S369 PolarHBondContact O-N 3.35Å; L367-S369 VanDerWaalsContact O-N 3.16Å |
| 370 | T | 85.9 | Confident | 91 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -88 | -33.6 | -172.2 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | Q366 L367 | Q366-T370 HydrophobicContact CG-CG2 4.25Å; Q366-T370 PolarHBondContact O-N 3Å; Q366-T370 PolarHBondContact O-OG1 3.1Å; L367-T370 PolarHBondContact O-N 3.46Å |
| 371 | D | 89.1 | Confident | 91.2 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | trans | -147.9 | 80.1 | 177.9 | -171 | -16 | 0 | 0 | 0 | 110.6 | L367 G373 C374 F375 | L367-D371 HydrophobicContact CD1-CB 3.99Å; L367-D371 CarbonylContact O-C 3.58Å; L367-D371 PolarHBondContact O-N 2.95Å; D371-G373 PolarHBondContact O-N 2.8Å; D371-G373 PolarHBondContact OD1-N 3.43Å; D371-C374 HydrophobicContact CB-CB 4.01Å; D371-C374 PolarHBondContact O-N 3.37Å; D371-C374 WeakPolarHBondContact OD1-CB 3.14Å; D371-C374 PolarHBondContact OD1-N 2.78Å; D371-C374 VanDerWaalsContact OD2-CB 3.31Å; D371-C374 WeakPolarHBondContact OD2-CB 3.42Å; D371-F375 PolarHBondContact O-N 3.27Å | ||
| 372 | P | 87.4 | Confident | 91.7 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59 | -31.1 | -179.6 | -22.5 | 31.3 | 0 | 0 | 0 | 113.6 | M368 F375 Q376 | M368-P372 WeakPolarHBondContact O-CG 3.29Å; P372-F375 PolarHBondContact O-N 2.9Å; P372-Q376 WeakPolarHBondContact O-CB 3.07Å; P372-Q376 PolarHBondContact O-N 3.11Å |
| 373 | G | 91.6 | Very high | 92.2 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D371 S377 | D371-G373 PolarHBondContact O-N 2.8Å; D371-G373 PolarHBondContact OD1-N 3.43Å; G373-S377 PolarHBondContact O-N 3.05Å; G373-S377 PolarHBondContact O-OG 3.08Å; G373-S377 VanDerWaalsContact O-OG 3.11Å |
| 374 | C | 94 | Very high | 92.5 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 170.5 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | L367 D371 Q376 S377 V378 | L367-C374 HydrophobicContact CD1-CB 4.27Å; D371-C374 HydrophobicContact CB-CB 4.01Å; D371-C374 PolarHBondContact O-N 3.37Å; D371-C374 WeakPolarHBondContact OD1-CB 3.14Å; D371-C374 PolarHBondContact OD1-N 2.78Å; D371-C374 VanDerWaalsContact OD2-CB 3.31Å; D371-C374 WeakPolarHBondContact OD2-CB 3.42Å; C374-Q376 VanDerWaalsContact C-N 3.33Å; C374-Q376 PolarHBondContact O-N 3.02Å; C374-S377 WeakPolarHBondContact O-CB 3.22Å; C374-S377 PolarHBondContact O-N 3.49Å; C374-V378 WeakPolarHBondContact O-CG2 3.17Å; C374-V378 PolarHBondContact O-N 2.96Å |
| 375 | F | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.7 | -47.1 | 178.3 | -176.3 | -108.1 | 0 | 0 | 0 | 112.4 | Y350 P356 A364 L367 M368 D371 P372 S377 V378 V379 | Y350-F375 WeakPolarHBondContact O-CE1 3.39Å; P356-F375 HydrophobicContact CG-CE2 4.13Å; A364-F375 HydrophobicContact CB-CE2 3.93Å; L367-F375 HydrophobicContact CB-CD2 4.44Å; L367-F375 HydrophobicContact CD2-CB 4.28Å; L367-F375 HydrophobicContact CD2-CD2 4.35Å; L367-F375 HydrophobicContact CG-CB 4.14Å; M368-F375 HydrophobicContact CB-CD1 4.07Å; M368-F375 HydrophobicContact CB-CD2 4.21Å; M368-F375 HydrophobicContact CB-CE1 4.24Å; M368-F375 HydrophobicContact CB-CE2 4.39Å; M368-F375 HydrophobicContact CB-CG 4.06Å; M368-F375 HydrophobicContact CB-CZ 4.41Å; M368-F375 HydrophobicContact CE-CE1 3.99Å; M368-F375 HydrophobicContact CE-CE2 4.37Å; M368-F375 HydrophobicContact CE-CZ 3.75Å; M368-F375 HydrophobicContact CG-CD1 3.97Å; M368-F375 HydrophobicContact CG-CE1 3.98Å; M368-F375 HydrophobicContact CG-CG 4.46Å; M368-F375 HydrophobicContact CG-CZ 4.5Å; D371-F375 PolarHBondContact O-N 3.27Å; P372-F375 PolarHBondContact O-N 2.9Å; F375-S377 VanDerWaalsContact C-N 3.31Å; F375-S377 PolarHBondContact O-N 2.98Å; F375-V378 PolarHBondContact O-N 3.16Å; F375-V379 HydrophobicContact CD1-CG2 4.16Å; F375-V379 HydrophobicContact CE1-CG2 3.75Å; F375-V379 HydrophobicContact CE2-CG2 4.22Å; F375-V379 HydrophobicContact CZ-CG2 3.77Å; F375-V379 WeakPolarHBondContact O-CG2 3.47Å; F375-V379 PolarHBondContact O-N 3Å |
| 376 | Q | 94.8 | Very high | 93.4 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.4 | -44.4 | 176 | 170.9 | 169.5 | 8.7 | 0 | 0 | 112.2 | Y350 P372 C374 V378 V379 Q380 | Y350-Q376 HydrophobicContact CD1-CB 3.9Å; Y350-Q376 HydrophobicContact CD1-CG 3.9Å; Y350-Q376 HydrophobicContact CE1-CB 4.08Å; Y350-Q376 HydrophobicContact CE1-CG 3.59Å; Y350-Q376 HydrophobicContact CE2-CG 4.25Å; Y350-Q376 HydrophobicContact CG-CB 4.32Å; Y350-Q376 HydrophobicContact CG-CG 4.36Å; P372-Q376 WeakPolarHBondContact O-CB 3.07Å; P372-Q376 PolarHBondContact O-N 3.11Å; C374-Q376 VanDerWaalsContact C-N 3.33Å; C374-Q376 PolarHBondContact O-N 3.02Å; Q376-V378 PolarHBondContact O-N 3.45Å; Q376-V379 PolarHBondContact O-N 3.23Å; Q376-Q380 WeakPolarHBondContact O-CG 3.06Å; Q376-Q380 PolarHBondContact O-N 2.85Å |
| 377 | S | 96.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 45.1 Ų | 45.1 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 112 | G373 C374 F375 Q380 E381 | G373-S377 PolarHBondContact O-N 3.05Å; G373-S377 PolarHBondContact O-OG 3.08Å; G373-S377 VanDerWaalsContact O-OG 3.11Å; C374-S377 WeakPolarHBondContact O-CB 3.22Å; C374-S377 PolarHBondContact O-N 3.49Å; F375-S377 VanDerWaalsContact C-N 3.31Å; F375-S377 PolarHBondContact O-N 2.98Å; S377-Q380 PolarHBondContact O-N 2.52Å; S377-E381 PolarHBondContact O-N 3.33Å; S377-E381 VanDerWaalsContact O-N 3.12Å |
| 378 | V | 97.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -36.1 | 177.1 | -170.8 | 0 | 0 | 0 | 0 | 111.5 | P356 P358 L359 C374 F375 Q376 E381 S382 | P356-V378 HydrophobicContact CB-CB 4.38Å; P356-V378 HydrophobicContact CB-CG1 3.73Å; P356-V378 HydrophobicContact CG-CB 4.33Å; P356-V378 HydrophobicContact CG-CG1 3.86Å; P358-V378 HydrophobicContact CB-CG1 4.46Å; P358-V378 HydrophobicContact CG-CG1 3.99Å; L359-V378 HydrophobicContact CD1-CG1 4.3Å; L359-V378 HydrophobicContact CG-CG1 4.34Å; C374-V378 WeakPolarHBondContact O-CG2 3.17Å; C374-V378 PolarHBondContact O-N 2.96Å; F375-V378 PolarHBondContact O-N 3.16Å; Q376-V378 PolarHBondContact O-N 3.45Å; V378-E381 PolarHBondContact O-N 3.34Å; V378-S382 WeakPolarHBondContact O-CB 3.37Å; V378-S382 PolarHBondContact O-N 2.82Å |
| 379 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 171.2 | 165 | 0 | 0 | 0 | 0 | 111 | P349 Y350 Y354 P356 F375 Q376 E381 S382 L383 | P349-V379 HydrophobicContact CB-CG1 4.39Å; Y350-V379 HydrophobicContact CD1-CB 4.26Å; Y350-V379 HydrophobicContact CD1-CG1 4.06Å; Y350-V379 HydrophobicContact CE1-CB 4.19Å; Y350-V379 HydrophobicContact CE1-CG1 3.77Å; Y354-V379 HydrophobicContact CD1-CG1 3.84Å; Y354-V379 HydrophobicContact CD1-CG2 4.38Å; P356-V379 HydrophobicContact CB-CG2 4.39Å; P356-V379 HydrophobicContact CG-CG2 4.24Å; F375-V379 HydrophobicContact CD1-CG2 4.16Å; F375-V379 HydrophobicContact CE1-CG2 3.75Å; F375-V379 HydrophobicContact CE2-CG2 4.22Å; F375-V379 HydrophobicContact CZ-CG2 3.77Å; F375-V379 WeakPolarHBondContact O-CG2 3.47Å; F375-V379 PolarHBondContact O-N 3Å; Q376-V379 PolarHBondContact O-N 3.23Å; V379-E381 PolarHBondContact O-N 2.83Å; V379-S382 PolarHBondContact O-N 2.89Å; V379-L383 HydrophobicContact CG1-CD1 4.2Å; V379-L383 WeakPolarHBondContact O-CG 3.46Å; V379-L383 PolarHBondContact O-N 2.85Å |
| 380 | Q | 97.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 180 | -71.7 | 177.2 | -9.3 | 0 | 0 | 112.4 | Y350 Q376 S377 L383 R384 A414 | Y350-Q380 PolarHBondContact OH-NE2 3.47Å; Q376-Q380 WeakPolarHBondContact O-CG 3.06Å; Q376-Q380 PolarHBondContact O-N 2.85Å; S377-Q380 PolarHBondContact O-N 2.52Å; Q380-L383 PolarHBondContact O-N 2.73Å; Q380-R384 PolarHBondContact O-N 2.82Å; Q380-R384 VanDerWaalsContact O-N 3.13Å; Q380-A414 HydrophobicContact CB-CB 3.77Å; Q380-A414 HydrophobicContact CG-CB 3.84Å |
| 381 | E | 97.9 | Very high | 96.3 | Very high | 83 Ų | 83 | 40.7 Ų | 40.7 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 175 | -178.4 | 54.4 | -151.6 | 0 | 0 | 112.3 | S377 V378 V379 L383 R384 R385 | S377-E381 PolarHBondContact O-N 3.33Å; S377-E381 VanDerWaalsContact O-N 3.12Å; V378-E381 PolarHBondContact O-N 3.34Å; V379-E381 PolarHBondContact O-N 2.83Å; E381-L383 VanDerWaalsContact C-N 3.32Å; E381-L383 PolarHBondContact O-N 3.24Å; E381-R384 PolarHBondContact O-N 2.87Å; E381-R384 IonicContact OE2-CZ 3.39Å; E381-R384 IonicContact OE2-NE 3.48Å; E381-R384 PolarHBondContact OE2-NE 3.01Å; E381-R384 IonicContact OE2-NH2 3.55Å; E381-R384 PolarHBondContact OE2-NH2 2.67Å; E381-R385 PolarHBondContact O-N 3.24Å; E381-R385 VanDerWaalsContact O-N 3.13Å |
| 382 | S | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -36 | 176 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | Y354 V357 V378 V379 R385 H386 | Y354-S382 PolarHBondContact OH-OG 3.47Å; V357-S382 PolarHBondContact N-OG 3.49Å; V357-S382 VanDerWaalsContact N-OG 3.12Å; V378-S382 WeakPolarHBondContact O-CB 3.37Å; V378-S382 PolarHBondContact O-N 2.82Å; V379-S382 PolarHBondContact O-N 2.89Å; S382-R385 PolarHBondContact O-N 2.83Å; S382-H386 WeakPolarHBondContact O-CB 3.37Å; S382-H386 PolarHBondContact O-N 2.99Å |
| 383 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 174.5 | -72.2 | 170.3 | 0 | 0 | 0 | 112.2 | L346 Y354 V379 Q380 E381 H386 I387 F407 E410 A414 | L346-L383 HydrophobicContact CD1-CD1 3.99Å; L346-L383 HydrophobicContact CD1-CD2 3.87Å; Y354-L383 HydrophobicContact CD2-CD2 4.42Å; Y354-L383 HydrophobicContact CE1-CD2 4.08Å; Y354-L383 HydrophobicContact CE1-CG 4.17Å; Y354-L383 HydrophobicContact CE2-CD2 3.94Å; V379-L383 HydrophobicContact CG1-CD1 4.2Å; V379-L383 WeakPolarHBondContact O-CG 3.46Å; V379-L383 PolarHBondContact O-N 2.85Å; Q380-L383 PolarHBondContact O-N 2.73Å; E381-L383 VanDerWaalsContact C-N 3.32Å; E381-L383 PolarHBondContact O-N 3.24Å; L383-H386 WeakPolarHBondContact O-CB 3.46Å; L383-H386 PolarHBondContact O-N 2.94Å; L383-I387 PolarHBondContact O-N 2.74Å; L383-F407 HydrophobicContact CD2-CD2 4.04Å; L383-F407 HydrophobicContact CD2-CE2 3.84Å; L383-E410 HydrophobicContact CD1-CB 4.29Å; L383-A414 HydrophobicContact CB-CB 4.25Å; L383-A414 HydrophobicContact CD1-CB 4.22Å |
| 384 | R | 98.5 | Very high | 97.6 | Very high | 92 Ų | 92 | 38.5 Ų | 38.5 | 35% | 0.347 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 174.5 | -71.9 | -173.7 | -73.5 | -103.7 | 4.4 | 111.7 | Q380 E381 K388 A414 A416 | Q380-R384 PolarHBondContact O-N 2.82Å; Q380-R384 VanDerWaalsContact O-N 3.13Å; E381-R384 PolarHBondContact O-N 2.87Å; E381-R384 IonicContact OE2-CZ 3.39Å; E381-R384 IonicContact OE2-NE 3.48Å; E381-R384 PolarHBondContact OE2-NE 3.01Å; E381-R384 IonicContact OE2-NH2 3.55Å; E381-R384 PolarHBondContact OE2-NH2 2.67Å; R384-K388 WeakPolarHBondContact O-CB 3.2Å; R384-K388 PolarHBondContact O-N 3.16Å; R384-A414 WeakPolarHBondContact CD-O 3.44Å; R384-A414 PolarHBondContact NH1-O 3.04Å; R384-A416 HydrophobicContact CG-CB 4.23Å |
| 385 | R | 98.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.1 | -74.4 | 176.8 | 58 | -171.7 | -5.8 | 112.6 | V319 E323 V357 E381 S382 I387 K388 A389 | V319-R385 HydrophobicContact CG1-CB 4.03Å; E323-R385 VanDerWaalsContact CD-NH2 3.28Å; E323-R385 IonicContact OE1-CZ 2.83Å; E323-R385 IonicContact OE1-NE 3.21Å; E323-R385 PolarHBondContact OE1-NE 3.24Å; E323-R385 IonicContact OE1-NH2 3.9Å; E323-R385 PolarHBondContact OE1-NH2 3.02Å; E323-R385 IonicContact OE2-CZ 2.75Å; E323-R385 IonicContact OE2-NH2 3.65Å; E323-R385 PolarHBondContact OE2-NH2 3.35Å; V357-R385 VanDerWaalsContact CG1-CZ 3.44Å; E381-R385 PolarHBondContact O-N 3.24Å; E381-R385 VanDerWaalsContact O-N 3.13Å; S382-R385 PolarHBondContact O-N 2.83Å; R385-I387 PolarHBondContact O-N 3.45Å; R385-K388 WeakPolarHBondContact O-CB 3.25Å; R385-K388 PolarHBondContact O-N 3.31Å; R385-A389 PolarHBondContact O-N 3.19Å |
| 386 | H | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -53.1 | 177.7 | -162.5 | 163.1 | 0 | 0 | 0 | 111.3 | V318 V319 W322 D342 Y354 S382 L383 K388 A389 I390 F407 | V318-H386 VanDerWaalsContact CG1-CE1 3.41Å; V318-H386 WeakPolarHBondContact CG1-CE1 3.23Å; V319-H386 HydrophobicContact CG2-CB 3.72Å; W322-H386 AromaticContact CD1-CD2 3.28Å; W322-H386 AromaticContact CD1-NE2 3.11Å; W322-H386 AromaticContact NE1-CD2 3.61Å; W322-H386 AromaticContact NE1-NE2 3.01Å; W322-H386 PolarHBondContact NE1-NE2 3.43Å; D342-H386 IonicContact OD2-CE1 3.93Å; D342-H386 PolarHBondContact OD2-CE1 3.44Å; Y354-H386 PolarHBondContact OH-ND1 3.49Å; Y354-H386 VanDerWaalsContact OH-ND1 3.17Å; S382-H386 WeakPolarHBondContact O-CB 3.37Å; S382-H386 PolarHBondContact O-N 2.99Å; L383-H386 WeakPolarHBondContact O-CB 3.46Å; L383-H386 PolarHBondContact O-N 2.94Å; H386-K388 VanDerWaalsContact C-N 3.35Å; H386-K388 PolarHBondContact O-N 3.43Å; H386-A389 PolarHBondContact O-N 2.91Å; H386-I390 WeakPolarHBondContact CD2-CD1 3.08Å; H386-I390 WeakPolarHBondContact O-CG1 3.43Å; H386-I390 PolarHBondContact O-N 2.72Å; H386-F407 HydrophobicContact CB-CE2 4.49Å; H386-F407 HydrophobicContact CB-CZ 4.45Å; H386-F407 AromaticContact CD2-CZ 3.99Å; H386-F407 AromaticContact CE1-CE2 3.74Å; H386-F407 AromaticContact CE1-CZ 3.89Å; H386-F407 AromaticContact CG-CE2 3.94Å; H386-F407 AromaticContact CG-CZ 3.86Å; H386-F407 AromaticContact ND1-CE2 3.5Å; H386-F407 WeakPolarHBondContact ND1-CE2 3.34Å; H386-F407 AromaticContact ND1-CZ 3.82Å |
| 387 | I | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 178.4 | -70 | -61.1 | 0 | 0 | 0 | 112.1 | L383 R385 A389 I390 N391 F407 L408 A411 A416 V418 | L383-I387 PolarHBondContact O-N 2.74Å; R385-I387 PolarHBondContact O-N 3.45Å; I387-A389 VanDerWaalsContact C-N 3.3Å; I387-A389 PolarHBondContact O-N 3.17Å; I387-I390 HydrophobicContact CD1-CD1 4.44Å; I387-I390 PolarHBondContact O-N 2.92Å; I387-N391 WeakPolarHBondContact O-CB 3.33Å; I387-N391 VanDerWaalsContact O-CG 3.26Å; I387-N391 PolarHBondContact O-N 3.07Å; I387-N391 PolarHBondContact O-OD1 3.2Å; I387-F407 HydrophobicContact CD1-CD1 4.39Å; I387-F407 HydrophobicContact CD1-CE1 3.35Å; I387-F407 HydrophobicContact CD1-CE2 4.44Å; I387-F407 HydrophobicContact CD1-CZ 3.39Å; I387-F407 HydrophobicContact CG1-CE1 4.44Å; I387-F407 HydrophobicContact CG1-CZ 4.04Å; I387-L408 HydrophobicContact CD1-CD2 4.04Å; I387-A411 HydrophobicContact CD1-CB 4.27Å; I387-A411 HydrophobicContact CG1-CB 3.79Å; I387-A416 HydrophobicContact CB-CB 3.92Å; I387-A416 HydrophobicContact CG1-CB 3.87Å; I387-A416 HydrophobicContact CG2-CB 4.1Å; I387-V418 HydrophobicContact CB-CG1 4.3Å; I387-V418 HydrophobicContact CD1-CG1 3.53Å; I387-V418 HydrophobicContact CG1-CG1 3.63Å; I387-V418 HydrophobicContact CG2-CG1 3.71Å |
| 388 | K | 98.4 | Very high | 98 | Very high | 142 Ų | 142 | 39 Ų | 39 | 62% | 0.617 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -57.6 | -43.6 | 178.5 | -174.9 | -179.1 | 179.1 | -177.3 | 0 | 112 | R384 R385 H386 K392 | R384-K388 WeakPolarHBondContact O-CB 3.2Å; R384-K388 PolarHBondContact O-N 3.16Å; R385-K388 WeakPolarHBondContact O-CB 3.25Å; R385-K388 PolarHBondContact O-N 3.31Å; H386-K388 VanDerWaalsContact C-N 3.35Å; H386-K388 PolarHBondContact O-N 3.43Å; K388-K392 WeakPolarHBondContact O-CG 3.48Å; K388-K392 PolarHBondContact O-N 2.75Å |
| 389 | A | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | W322 E323 L326 R385 H386 I387 N391 K392 L393 | W322-A389 HydrophobicContact CB-CB 3.8Å; E323-A389 HydrophobicContact CG-CB 4.26Å; L326-A389 HydrophobicContact CD2-CB 4.49Å; R385-A389 PolarHBondContact O-N 3.19Å; H386-A389 PolarHBondContact O-N 2.91Å; I387-A389 VanDerWaalsContact C-N 3.3Å; I387-A389 PolarHBondContact O-N 3.17Å; A389-N391 PolarHBondContact O-N 3.02Å; A389-K392 PolarHBondContact O-N 3.42Å; A389-L393 PolarHBondContact O-N 3.34Å |
| 390 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.4 | -70.1 | 164.6 | 0 | 0 | 0 | 111.2 | W322 H386 I387 K392 L393 S394 M398 F400 F407 Y430 | W322-I390 HydrophobicContact CD2-CG1 4.24Å; W322-I390 HydrophobicContact CG-CG1 4.45Å; H386-I390 WeakPolarHBondContact CD2-CD1 3.08Å; H386-I390 WeakPolarHBondContact O-CG1 3.43Å; H386-I390 PolarHBondContact O-N 2.72Å; I387-I390 HydrophobicContact CD1-CD1 4.44Å; I387-I390 PolarHBondContact O-N 2.92Å; I390-K392 VanDerWaalsContact C-N 3.35Å; I390-K392 PolarHBondContact O-N 2.98Å; I390-L393 PolarHBondContact O-N 2.83Å; I390-S394 WeakPolarHBondContact O-CB 3.5Å; I390-S394 PolarHBondContact O-N 2.92Å; I390-M398 HydrophobicContact CG2-CE 4.14Å; I390-F400 HydrophobicContact CD1-CD2 3.97Å; I390-F400 HydrophobicContact CD1-CE1 4.33Å; I390-F400 HydrophobicContact CD1-CE2 3.44Å; I390-F400 VanDerWaalsContact CD1-CE2 3.44Å; I390-F400 HydrophobicContact CD1-CZ 3.66Å; I390-F400 HydrophobicContact CG1-CD2 4.1Å; I390-F400 HydrophobicContact CG1-CE2 4.05Å; I390-F400 HydrophobicContact CG2-CB 3.84Å; I390-F400 HydrophobicContact CG2-CD1 3.96Å; I390-F400 HydrophobicContact CG2-CD2 3.71Å; I390-F400 HydrophobicContact CG2-CE2 4.27Å; I390-F400 HydrophobicContact CG2-CG 3.55Å; I390-F407 HydrophobicContact CD1-CE1 4Å; I390-F407 HydrophobicContact CD1-CZ 3.94Å; I390-Y430 HydrophobicContact CG2-CD2 4.46Å; I390-Y430 HydrophobicContact CG2-CE1 4.47Å; I390-Y430 HydrophobicContact CG2-CE2 3.76Å |
| 391 | N | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.8 | -50.7 | 176.9 | -76.2 | -2.3 | 0 | 0 | 0 | 111.3 | I387 A389 S394 D395 E417 Y430 | I387-N391 WeakPolarHBondContact O-CB 3.33Å; I387-N391 VanDerWaalsContact O-CG 3.26Å; I387-N391 PolarHBondContact O-N 3.07Å; I387-N391 PolarHBondContact O-OD1 3.2Å; A389-N391 PolarHBondContact O-N 3.02Å; N391-S394 PolarHBondContact O-N 3.28Å; N391-D395 WeakPolarHBondContact O-CB 3.44Å; N391-D395 PolarHBondContact O-N 3.27Å; N391-E417 PolarHBondContact ND2-O 3.27Å; N391-Y430 WeakPolarHBondContact CA-OH 3.41Å; N391-Y430 WeakPolarHBondContact OD1-CE2 3.11Å; N391-Y430 PolarHBondContact OD1-OH 3.25Å |
| 392 | K | 98.3 | Very high | 97.7 | Very high | 111 Ų | 111 | 34 Ų | 34 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.4 | -43.1 | -179.1 | -68.1 | -66.2 | -175.5 | -177.4 | 0 | 113.4 | L326 K388 A389 I390 S394 A396 | L326-K392 HydrophobicContact CD1-CB 3.55Å; L326-K392 HydrophobicContact CD1-CG 4.43Å; L326-K392 HydrophobicContact CD2-CB 3.91Å; L326-K392 HydrophobicContact CD2-CG 4.17Å; L326-K392 HydrophobicContact CG-CB 4.39Å; K388-K392 WeakPolarHBondContact O-CG 3.48Å; K388-K392 PolarHBondContact O-N 2.75Å; A389-K392 PolarHBondContact O-N 3.42Å; I390-K392 VanDerWaalsContact C-N 3.35Å; I390-K392 PolarHBondContact O-N 2.98Å; K392-S394 VanDerWaalsContact C-N 3.31Å; K392-A396 PolarHBondContact O-N 3.47Å |
| 393 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -35 | 177.4 | -74 | 168.8 | 0 | 0 | 0 | 111.9 | W322 L325 L326 F329 L335 A389 I390 A396 G397 M398 | W322-L393 HydrophobicContact CE3-CD1 3.54Å; W322-L393 HydrophobicContact CZ3-CD1 3.99Å; L325-L393 HydrophobicContact CB-CD1 4.05Å; L326-L393 HydrophobicContact CB-CD1 4.46Å; L326-L393 HydrophobicContact CB-CD2 4.39Å; L326-L393 HydrophobicContact CB-CG 4.25Å; L326-L393 HydrophobicContact CD1-CD2 4.45Å; L326-L393 HydrophobicContact CD1-CG 4.43Å; F329-L393 HydrophobicContact CB-CD2 4.32Å; L335-L393 HydrophobicContact CD1-CD2 3.99Å; A389-L393 PolarHBondContact O-N 3.34Å; I390-L393 PolarHBondContact O-N 2.83Å; L393-A396 WeakPolarHBondContact O-CB 3.24Å; L393-A396 PolarHBondContact O-N 2.89Å; L393-G397 PolarHBondContact O-N 3.41Å; L393-M398 HydrophobicContact CB-CB 4.28Å; L393-M398 HydrophobicContact CB-CE 3.74Å; L393-M398 HydrophobicContact CB-SD 3.99Å; L393-M398 HydrophobicContact CD1-SD 4.47Å; L393-M398 VanDerWaalsContact O-CB 3.25Å; L393-M398 WeakPolarHBondContact O-CB 3.42Å; L393-M398 PolarHBondContact O-N 2.76Å |
| 394 | S | 97.5 | Very high | 97 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 19% | 0.189 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.7 | -39 | 178.1 | -168.6 | 0 | 0 | 0 | 0 | 112.4 | I390 N391 K392 A396 G397 M398 Y430 | I390-S394 WeakPolarHBondContact O-CB 3.5Å; I390-S394 PolarHBondContact O-N 2.92Å; N391-S394 PolarHBondContact O-N 3.28Å; K392-S394 VanDerWaalsContact C-N 3.31Å; S394-A396 PolarHBondContact O-N 2.75Å; S394-G397 PolarHBondContact O-N 2.87Å; S394-M398 WeakPolarHBondContact CA-O 3.16Å; S394-M398 WeakPolarHBondContact CB-O 3.33Å; S394-M398 PolarHBondContact OG-O 2.85Å; S394-Y430 WeakPolarHBondContact CB-OH 3.46Å; S394-Y430 WeakPolarHBondContact OG-CE1 3.41Å |
| 395 | D | 97 | Very high | 96.5 | Very high | 110 Ų | 110 | 30.9 Ų | 30.9 | 59% | 0.588 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -60.6 | -25 | 170.9 | -69.2 | -20.3 | 0 | 0 | 0 | 112.2 | N391 R429 | N391-D395 WeakPolarHBondContact O-CB 3.44Å; N391-D395 PolarHBondContact O-N 3.27Å; D395-R429 IonicContact OD1-CZ 3.54Å; D395-R429 IonicContact OD1-NH2 2.67Å; D395-R429 PolarHBondContact OD1-NH2 3.07Å; D395-R429 IonicContact OD2-NH2 3.73Å; D395-R429 PolarHBondContact OD2-NH2 2.97Å; D395-R429 VanDerWaalsContact OD2-NH2 3.09Å |
| 396 | A | 97.2 | Very high | 96.1 | Very high | 33 Ų | 33 | 27.6 Ų | 27.6 | 27% | 0.273 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F329 L335 K392 L393 S394 | F329-A396 HydrophobicContact CD1-CB 4.09Å; F329-A396 HydrophobicContact CD2-CB 4.44Å; F329-A396 HydrophobicContact CE1-CB 3.44Å; F329-A396 VanDerWaalsContact CE1-CB 3.44Å; F329-A396 HydrophobicContact CE2-CB 3.86Å; F329-A396 HydrophobicContact CZ-CB 3.31Å; L335-A396 HydrophobicContact CD1-CB 4.29Å; K392-A396 PolarHBondContact O-N 3.47Å; L393-A396 WeakPolarHBondContact O-CB 3.24Å; L393-A396 PolarHBondContact O-N 2.89Å; S394-A396 PolarHBondContact O-N 2.75Å |
| 397 | G | 96.6 | Very high | 96 | Very high | 57 Ų | 57 | 27.6 Ų | 27.6 | 59% | 0.588 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 112.9 | 1.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L393 S394 | L393-G397 PolarHBondContact O-N 3.41Å; S394-G397 PolarHBondContact O-N 2.87Å |
| 398 | M | 98 | Very high | 95.8 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | trans | -70 | 136.2 | 169.3 | -178.4 | -166 | 67.8 | 0 | 0 | 110 | W322 L335 V337 I390 L393 S394 F400 | W322-M398 HydrophobicContact CE3-SD 4.43Å; W322-M398 HydrophobicContact CH2-CE 4.38Å; W322-M398 HydrophobicContact CH2-SD 3.7Å; W322-M398 HydrophobicContact CZ3-CE 4.19Å; W322-M398 HydrophobicContact CZ3-SD 3.4Å; W322-M398 WeakPolarHBondContact CZ3-SD 3.49Å; L335-M398 HydrophobicContact CD1-CB 4.46Å; V337-M398 HydrophobicContact CB-SD 4.35Å; V337-M398 HydrophobicContact CG1-CB 4.39Å; V337-M398 HydrophobicContact CG1-CG 3.98Å; V337-M398 HydrophobicContact CG1-SD 3.59Å; V337-M398 VanDerWaalsContact CG1-SD 3.59Å; V337-M398 HydrophobicContact CG2-CG 4.04Å; V337-M398 HydrophobicContact CG2-SD 3.81Å; I390-M398 HydrophobicContact CG2-CE 4.14Å; L393-M398 HydrophobicContact CB-CB 4.28Å; L393-M398 HydrophobicContact CB-CE 3.74Å; L393-M398 HydrophobicContact CB-SD 3.99Å; L393-M398 HydrophobicContact CD1-SD 4.47Å; L393-M398 VanDerWaalsContact O-CB 3.25Å; L393-M398 WeakPolarHBondContact O-CB 3.42Å; L393-M398 PolarHBondContact O-N 2.76Å; S394-M398 WeakPolarHBondContact CA-O 3.16Å; S394-M398 WeakPolarHBondContact CB-O 3.33Å; S394-M398 PolarHBondContact OG-O 2.85Å; M398-F400 HydrophobicContact CE-CB 4.07Å; M398-F400 HydrophobicContact CE-CD2 4.41Å | ||
| 399 | F | 97.6 | Very high | 95.6 | Very high | 42 Ų | 42 | 21.3 Ų | 21.3 | 18% | 0.184 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.4 | 170.8 | -172.2 | -93.4 | 0 | 0 | 0 | 111.4 | Y233 D338 L339 G340 W401 P431 | Y233-F399 HydrophobicContact CD1-CD1 4.18Å; Y233-F399 AromaticContact CD1-CD2 3.51Å; Y233-F399 HydrophobicContact CD1-CD2 3.51Å; Y233-F399 HydrophobicContact CD1-CE1 4.12Å; Y233-F399 AromaticContact CD1-CE2 3.42Å; Y233-F399 HydrophobicContact CD1-CE2 3.42Å; Y233-F399 VanDerWaalsContact CD1-CE2 3.42Å; Y233-F399 AromaticContact CD1-CG 3.91Å; Y233-F399 HydrophobicContact CD1-CG 3.91Å; Y233-F399 AromaticContact CD1-CZ 3.77Å; Y233-F399 HydrophobicContact CD1-CZ 3.77Å; Y233-F399 AromaticContact CD2-CD1 3.37Å; Y233-F399 HydrophobicContact CD2-CD1 3.37Å; Y233-F399 HydrophobicContact CD2-CD2 4.24Å; Y233-F399 AromaticContact CD2-CE1 3.35Å; Y233-F399 HydrophobicContact CD2-CE1 3.35Å; Y233-F399 HydrophobicContact CD2-CE2 4.22Å; Y233-F399 AromaticContact CD2-CG 3.85Å; Y233-F399 HydrophobicContact CD2-CG 3.85Å; Y233-F399 AromaticContact CD2-CZ 3.82Å; Y233-F399 HydrophobicContact CD2-CZ 3.82Å; Y233-F399 HydrophobicContact CE1-CD1 4.43Å; Y233-F399 AromaticContact CE1-CD2 3.84Å; Y233-F399 HydrophobicContact CE1-CD2 3.84Å; Y233-F399 AromaticContact CE1-CE1 3.9Å; Y233-F399 HydrophobicContact CE1-CE1 3.9Å; Y233-F399 AromaticContact CE1-CE2 3.21Å; Y233-F399 HydrophobicContact CE1-CE2 3.21Å; Y233-F399 HydrophobicContact CE1-CG 4.41Å; Y233-F399 AromaticContact CE1-CZ 3.27Å; Y233-F399 HydrophobicContact CE1-CZ 3.27Å; Y233-F399 AromaticContact CE2-CD1 3.67Å; Y233-F399 HydrophobicContact CE2-CD1 3.67Å; Y233-F399 AromaticContact CE2-CE1 3.08Å; Y233-F399 HydrophobicContact CE2-CE1 3.08Å; Y233-F399 HydrophobicContact CE2-CE2 4.06Å; Y233-F399 HydrophobicContact CE2-CG 4.37Å; Y233-F399 AromaticContact CE2-CZ 3.33Å; Y233-F399 HydrophobicContact CE2-CZ 3.33Å; Y233-F399 HydrophobicContact CG-CB 4.38Å; Y233-F399 AromaticContact CG-CD1 3.64Å; Y233-F399 HydrophobicContact CG-CD1 3.64Å; Y233-F399 AromaticContact CG-CD2 3.71Å; Y233-F399 HydrophobicContact CG-CD2 3.71Å; Y233-F399 AromaticContact CG-CE1 3.85Å; Y233-F399 HydrophobicContact CG-CE1 3.85Å; Y233-F399 AromaticContact CG-CE2 3.92Å; Y233-F399 HydrophobicContact CG-CE2 3.92Å; Y233-F399 AromaticContact CG-CG 3.58Å; Y233-F399 HydrophobicContact CG-CG 3.58Å; Y233-F399 AromaticContact CG-CZ 4Å; Y233-F399 HydrophobicContact CG-CZ 4Å; Y233-F399 AromaticContact CZ-CE1 3.36Å; Y233-F399 AromaticContact CZ-CE2 3.53Å; Y233-F399 AromaticContact CZ-CZ 2.99Å; Y233-F399 VanDerWaalsContact OH-CZ 3.23Å; Y233-F399 WeakPolarHBondContact OH-CZ 3.44Å; D338-F399 PolarHBondContact O-N 3.29Å; L339-F399 CarbonylContact C-O 3.59Å; L339-F399 WeakPolarHBondContact CA-O 3.04Å; L339-F399 HydrophobicContact CD2-CB 4.13Å; L339-F399 HydrophobicContact CD2-CD1 4.42Å; G340-F399 PolarHBondContact N-O 3.5Å; F399-W401 AromaticContact CD1-CE3 3.92Å; F399-W401 HydrophobicContact CD1-CE3 3.92Å; F399-W401 HydrophobicContact CD1-CZ3 4.49Å; F399-W401 HydrophobicContact CE1-CB 4.1Å; F399-W401 HydrophobicContact CE1-CE3 4.02Å; F399-P431 HydrophobicContact CZ-CG 3.72Å |
| 400 | F | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.4 | 176.4 | -172.5 | -90.5 | 0 | 0 | 0 | 112.1 | W322 G340 S341 D342 I390 M398 F407 Y430 | W322-F400 HydrophobicContact CZ2-CD2 4.43Å; W322-F400 HydrophobicContact CZ2-CE2 4.24Å; G340-F400 VanDerWaalsContact C-CD2 3.45Å; G340-F400 VanDerWaalsContact O-CA 3.31Å; G340-F400 WeakPolarHBondContact O-CA 3.48Å; G340-F400 WeakPolarHBondContact O-CD2 3.15Å; S341-F400 VanDerWaalsContact CA-CE2 3.48Å; D342-F400 HydrophobicContact CB-CZ 4.34Å; I390-F400 HydrophobicContact CD1-CD2 3.97Å; I390-F400 HydrophobicContact CD1-CE1 4.33Å; I390-F400 HydrophobicContact CD1-CE2 3.44Å; I390-F400 VanDerWaalsContact CD1-CE2 3.44Å; I390-F400 HydrophobicContact CD1-CZ 3.66Å; I390-F400 HydrophobicContact CG1-CD2 4.1Å; I390-F400 HydrophobicContact CG1-CE2 4.05Å; I390-F400 HydrophobicContact CG2-CB 3.84Å; I390-F400 HydrophobicContact CG2-CD1 3.96Å; I390-F400 HydrophobicContact CG2-CD2 3.71Å; I390-F400 HydrophobicContact CG2-CE2 4.27Å; I390-F400 HydrophobicContact CG2-CG 3.55Å; M398-F400 HydrophobicContact CE-CB 4.07Å; M398-F400 HydrophobicContact CE-CD2 4.41Å; F400-F407 HydrophobicContact CE1-CD1 4.12Å; F400-F407 AromaticContact CE1-CE1 3.88Å; F400-F407 HydrophobicContact CE1-CE1 3.88Å; F400-F407 HydrophobicContact CZ-CD1 4Å; F400-F407 AromaticContact CZ-CE1 3.64Å; F400-F407 HydrophobicContact CZ-CE1 3.64Å; F400-Y430 HydrophobicContact CB-CD1 3.9Å; F400-Y430 HydrophobicContact CB-CE1 4.1Å; F400-Y430 HydrophobicContact CB-CG 4.3Å; F400-Y430 HydrophobicContact CD1-CD1 4.2Å; F400-Y430 AromaticContact CD1-CD2 3.9Å; F400-Y430 HydrophobicContact CD1-CD2 3.9Å; F400-Y430 AromaticContact CD1-CG 3.72Å; F400-Y430 HydrophobicContact CD1-CG 3.72Å; F400-Y430 HydrophobicContact CG-CG 4.46Å |
| 401 | W | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | trans | -139 | 152.2 | 169.4 | 71.8 | 86.9 | 0 | 0 | 0 | 112.9 | T225 A229 F244 L339 G340 S341 F399 Y403 P431 Y433 | T225-W401 HydrophobicContact CG2-CZ2 4.19Å; A229-W401 HydrophobicContact CB-CH2 4.36Å; A229-W401 HydrophobicContact CB-CZ3 4.25Å; F244-W401 AromaticContact CD2-CH2 3.68Å; F244-W401 HydrophobicContact CD2-CH2 3.68Å; F244-W401 HydrophobicContact CD2-CZ2 4.34Å; F244-W401 HydrophobicContact CD2-CZ3 4.47Å; F244-W401 AromaticContact CE2-CH2 3.33Å; F244-W401 HydrophobicContact CE2-CH2 3.33Å; F244-W401 AromaticContact CE2-CZ2 3.56Å; F244-W401 HydrophobicContact CE2-CZ2 3.56Å; F244-W401 HydrophobicContact CE2-CZ3 4.29Å; F244-W401 HydrophobicContact CZ-CH2 4.15Å; F244-W401 AromaticContact CZ-CZ2 3.99Å; F244-W401 HydrophobicContact CZ-CZ2 3.99Å; L339-W401 HydrophobicContact CB-CH2 4.14Å; L339-W401 HydrophobicContact CB-CZ3 3.81Å; L339-W401 HydrophobicContact CD2-CZ3 4.09Å; L339-W401 HydrophobicContact CG-CZ3 4.34Å; G340-W401 WeakPolarHBondContact O-CZ3 3.31Å; G340-W401 PolarHBondContact O-N 3.41Å; G340-W401 VanDerWaalsContact O-N 3.1Å; S341-W401 WeakPolarHBondContact CA-O 3.45Å; S341-W401 WeakPolarHBondContact CB-O 3.49Å; S341-W401 PolarHBondContact OG-NE1 2.88Å; S341-W401 PolarHBondContact OG-O 2.86Å; F399-W401 AromaticContact CD1-CE3 3.92Å; F399-W401 HydrophobicContact CD1-CE3 3.92Å; F399-W401 HydrophobicContact CD1-CZ3 4.49Å; F399-W401 HydrophobicContact CE1-CB 4.1Å; F399-W401 HydrophobicContact CE1-CE3 4.02Å; W401-Y403 HydrophobicContact CZ2-CE2 4.42Å; W401-Y403 AromaticContact NE1-CD2 3.27Å; W401-Y403 VanDerWaalsContact NE1-CD2 3.27Å; W401-Y403 AromaticContact NE1-CE2 3.64Å; W401-P431 VanDerWaalsContact CA-O 3.31Å; W401-P431 WeakPolarHBondContact CA-O 3.27Å; W401-P431 WeakPolarHBondContact CB-O 3.24Å; W401-Y433 VanDerWaalsContact CD1-CB 3.47Å | ||
| 402 | D | 93.9 | Very high | 95.1 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -79.4 | 131.5 | 171.2 | -176.8 | -73.8 | 0 | 0 | 0 | 111 | G404 F407 L408 P431 S432 Y433 | D402-G404 PolarHBondContact O-N 3.47Å; D402-G404 VanDerWaalsContact OD1-CA 3.25Å; D402-G404 WeakPolarHBondContact OD1-CA 3.22Å; D402-G404 PolarHBondContact OD1-N 3.43Å; D402-F407 WeakPolarHBondContact OD2-CB 3.25Å; D402-F407 PolarHBondContact OD2-N 2.93Å; D402-L408 HydrophobicContact CB-CD1 3.57Å; D402-L408 HydrophobicContact CB-CG 3.79Å; D402-L408 WeakPolarHBondContact OD2-CG 3.45Å; D402-L408 PolarHBondContact OD2-N 3.35Å; D402-P431 PolarHBondContact N-O 3.32Å; D402-S432 CarbonylContact O-C 3.59Å; D402-S432 WeakPolarHBondContact O-CA 3.4Å; D402-Y433 PolarHBondContact O-N 3.15Å |
| 403 | Y | 92.1 | Very high | 95 | Very high | 14 Ų | 14 | 25 Ų | 25 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | trans | -87 | 14.4 | -176.5 | -143.5 | -85.8 | 0 | 0 | 0 | 113.7 | T222 T225 S341 D342 Q343 W401 Y433 | T222-Y403 WeakPolarHBondContact CA-OH 3.29Å; T222-Y403 VanDerWaalsContact CB-OH 3.23Å; T222-Y403 WeakPolarHBondContact CB-OH 3.4Å; T222-Y403 HydrophobicContact CG2-CE2 4.41Å; T222-Y403 WeakPolarHBondContact CG2-OH 3.48Å; T222-Y403 PolarHBondContact OG1-OH 3.39Å; T225-Y403 HydrophobicContact CG2-CE2 3.92Å; S341-Y403 WeakPolarHBondContact OG-CD2 3.4Å; D342-Y403 WeakPolarHBondContact O-CB 3.17Å; Q343-Y403 HydrophobicContact CG-CD1 4.04Å; Q343-Y403 HydrophobicContact CG-CG 4.38Å; Q343-Y403 VanDerWaalsContact OE1-CD1 3.3Å; W401-Y403 HydrophobicContact CZ2-CE2 4.42Å; W401-Y403 AromaticContact NE1-CD2 3.27Å; W401-Y403 VanDerWaalsContact NE1-CD2 3.27Å; W401-Y403 AromaticContact NE1-CE2 3.64Å; Y403-Y433 VanDerWaalsContact O-CE1 3.29Å; Y403-Y433 WeakPolarHBondContact O-CE1 3.31Å | ||
| 404 | G | 88.3 | Confident | 94.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 73.7 | 31.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D402 R555 | D402-G404 PolarHBondContact O-N 3.47Å; D402-G404 VanDerWaalsContact OD1-CA 3.25Å; D402-G404 WeakPolarHBondContact OD1-CA 3.22Å; D402-G404 PolarHBondContact OD1-N 3.43Å; G404-R555 VanDerWaalsContact CA-CD 3.49Å; G404-R555 WeakPolarHBondContact O-CD 3.17Å; G404-R555 PolarHBondContact O-NH1 3.26Å |
| 405 | N | 88.4 | Confident | 94.8 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -101.9 | 9.7 | 177.7 | 65.8 | -31.6 | 0 | 0 | 0 | 113 | D342 T344 L346 H347 F407 | D342-N405 PolarHBondContact O-ND2 3.14Å; D342-N405 PolarHBondContact OD1-ND2 3.5Å; T344-N405 PolarHBondContact N-ND2 2.82Å; T344-N405 WeakPolarHBondContact O-CB 3.35Å; T344-N405 PolarHBondContact O-ND2 3.13Å; L346-N405 CarbonylContact C-O 3.59Å; L346-N405 WeakPolarHBondContact CA-O 3.25Å; L346-N405 WeakPolarHBondContact CB-O 3.46Å; L346-N405 PolarHBondContact N-O 2.97Å; H347-N405 PolarHBondContact N-O 3.18Å; N405-F407 VanDerWaalsContact C-N 3.3Å; N405-F407 WeakPolarHBondContact OD1-CB 3.46Å; N405-F407 PolarHBondContact OD1-N 3.13Å |
| 406 | A | 91.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 68.5 | 20.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L346 L409 E410 V594 | L346-A406 HydrophobicContact CB-CB 4.46Å; A406-L409 HydrophobicContact CB-CB 4.39Å; A406-L409 PolarHBondContact O-N 3.31Å; A406-E410 WeakPolarHBondContact O-CB 3.38Å; A406-E410 PolarHBondContact O-N 2.69Å; A406-V594 HydrophobicContact CB-CG1 3.88Å |
| 407 | F | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | -178.2 | 170.1 | -110.5 | 0 | 0 | 0 | 112.6 | D342 L346 L383 H386 I387 I390 F400 D402 N405 L409 E410 A411 | D342-F407 HydrophobicContact CB-CD1 4.32Å; D342-F407 HydrophobicContact CB-CD2 4.49Å; D342-F407 HydrophobicContact CB-CG 4.24Å; L346-F407 HydrophobicContact CG-CB 4.41Å; L346-F407 HydrophobicContact CG-CD2 4.37Å; L383-F407 HydrophobicContact CD2-CD2 4.04Å; L383-F407 HydrophobicContact CD2-CE2 3.84Å; H386-F407 HydrophobicContact CB-CE2 4.49Å; H386-F407 HydrophobicContact CB-CZ 4.45Å; H386-F407 AromaticContact CD2-CZ 3.99Å; H386-F407 AromaticContact CE1-CE2 3.74Å; H386-F407 AromaticContact CE1-CZ 3.89Å; H386-F407 AromaticContact CG-CE2 3.94Å; H386-F407 AromaticContact CG-CZ 3.86Å; H386-F407 AromaticContact ND1-CE2 3.5Å; H386-F407 WeakPolarHBondContact ND1-CE2 3.34Å; H386-F407 AromaticContact ND1-CZ 3.82Å; I387-F407 HydrophobicContact CD1-CD1 4.39Å; I387-F407 HydrophobicContact CD1-CE1 3.35Å; I387-F407 HydrophobicContact CD1-CE2 4.44Å; I387-F407 HydrophobicContact CD1-CZ 3.39Å; I387-F407 HydrophobicContact CG1-CE1 4.44Å; I387-F407 HydrophobicContact CG1-CZ 4.04Å; I390-F407 HydrophobicContact CD1-CE1 4Å; I390-F407 HydrophobicContact CD1-CZ 3.94Å; F400-F407 HydrophobicContact CE1-CD1 4.12Å; F400-F407 AromaticContact CE1-CE1 3.88Å; F400-F407 HydrophobicContact CE1-CE1 3.88Å; F400-F407 HydrophobicContact CZ-CD1 4Å; F400-F407 AromaticContact CZ-CE1 3.64Å; F400-F407 HydrophobicContact CZ-CE1 3.64Å; D402-F407 WeakPolarHBondContact OD2-CB 3.25Å; D402-F407 PolarHBondContact OD2-N 2.93Å; N405-F407 VanDerWaalsContact C-N 3.3Å; N405-F407 WeakPolarHBondContact OD1-CB 3.46Å; N405-F407 PolarHBondContact OD1-N 3.13Å; F407-L409 VanDerWaalsContact C-N 3.3Å; F407-L409 PolarHBondContact O-N 3.26Å; F407-E410 PolarHBondContact O-N 3.3Å; F407-A411 WeakPolarHBondContact O-CB 3.31Å; F407-A411 PolarHBondContact O-N 3.43Å |
| 408 | L | 94.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.2 | -34.5 | 178.8 | -62.5 | 178.1 | 0 | 0 | 0 | 112.3 | I387 D402 A411 Q412 V418 F428 Y430 | I387-L408 HydrophobicContact CD1-CD2 4.04Å; D402-L408 HydrophobicContact CB-CD1 3.57Å; D402-L408 HydrophobicContact CB-CG 3.79Å; D402-L408 WeakPolarHBondContact OD2-CG 3.45Å; D402-L408 PolarHBondContact OD2-N 3.35Å; L408-A411 PolarHBondContact O-N 3Å; L408-Q412 WeakPolarHBondContact O-CB 3.49Å; L408-Q412 PolarHBondContact O-N 3.11Å; L408-V418 HydrophobicContact CD2-CB 4.32Å; L408-V418 HydrophobicContact CD2-CG1 3.94Å; L408-F428 HydrophobicContact CB-CB 4.38Å; L408-F428 HydrophobicContact CB-CD1 4.1Å; L408-F428 HydrophobicContact CB-CD2 3.84Å; L408-F428 HydrophobicContact CB-CE1 4.35Å; L408-F428 HydrophobicContact CB-CE2 4.1Å; L408-F428 HydrophobicContact CB-CG 3.84Å; L408-F428 HydrophobicContact CB-CZ 4.35Å; L408-F428 HydrophobicContact CD1-CB 3.68Å; L408-F428 HydrophobicContact CD1-CD2 3.98Å; L408-F428 HydrophobicContact CD1-CG 3.96Å; L408-Y430 VanDerWaalsContact CD1-O 3.24Å; L408-Y430 WeakPolarHBondContact CD1-O 3.35Å; L408-Y430 HydrophobicContact CD2-CD2 4.09Å |
| 409 | L | 93.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -49.5 | 177.5 | 179 | 61 | 0 | 0 | 0 | 111.7 | A406 F407 A411 Q412 R413 F428 F554 V594 | A406-L409 HydrophobicContact CB-CB 4.39Å; A406-L409 PolarHBondContact O-N 3.31Å; F407-L409 VanDerWaalsContact C-N 3.3Å; F407-L409 PolarHBondContact O-N 3.26Å; L409-A411 VanDerWaalsContact C-N 3.35Å; L409-Q412 WeakPolarHBondContact O-CB 3.45Å; L409-Q412 PolarHBondContact O-N 2.89Å; L409-R413 WeakPolarHBondContact O-CG 3.49Å; L409-R413 PolarHBondContact O-N 3.45Å; L409-F428 HydrophobicContact CB-CZ 4.45Å; L409-F554 HydrophobicContact CD1-CE1 4.15Å; L409-F554 HydrophobicContact CD1-CZ 4.05Å; L409-F554 HydrophobicContact CD2-CD2 4.14Å; L409-F554 HydrophobicContact CD2-CE2 4.06Å; L409-F554 HydrophobicContact CD2-CG 4.49Å; L409-F554 HydrophobicContact CD2-CZ 4.35Å; L409-V594 HydrophobicContact CD2-CG1 4.48Å |
| 410 | E | 95.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.2 | -33.1 | 177.5 | -70.1 | -61.2 | 148 | 0 | 0 | 112 | R188 L346 P349 L383 A406 F407 R413 A414 | R188-E410 IonicContact NH1-OE1 3.05Å; L346-E410 HydrophobicContact CB-CG 4.34Å; L346-E410 HydrophobicContact CD1-CB 3.62Å; L346-E410 HydrophobicContact CD1-CG 4.03Å; L346-E410 HydrophobicContact CG-CB 4.45Å; L346-E410 WeakPolarHBondContact O-CG 3.29Å; P349-E410 HydrophobicContact CG-CG 4.15Å; L383-E410 HydrophobicContact CD1-CB 4.29Å; A406-E410 WeakPolarHBondContact O-CB 3.38Å; A406-E410 PolarHBondContact O-N 2.69Å; F407-E410 PolarHBondContact O-N 3.3Å; E410-R413 PolarHBondContact O-N 2.88Å; E410-R413 IonicContact OE1-CZ 3.43Å; E410-R413 IonicContact OE1-NH1 3.82Å; E410-R413 PolarHBondContact OE1-NH1 3.27Å; E410-A414 WeakPolarHBondContact O-CB 3.02Å; E410-A414 PolarHBondContact O-N 2.98Å |
| 411 | A | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I387 F407 L408 L409 A414 G415 A416 V418 | I387-A411 HydrophobicContact CD1-CB 4.27Å; I387-A411 HydrophobicContact CG1-CB 3.79Å; F407-A411 WeakPolarHBondContact O-CB 3.31Å; F407-A411 PolarHBondContact O-N 3.43Å; L408-A411 PolarHBondContact O-N 3Å; L409-A411 VanDerWaalsContact C-N 3.35Å; A411-A414 CarbonylContact O-C 3.43Å; A411-A414 WeakPolarHBondContact O-CB 3.28Å; A411-A414 PolarHBondContact O-N 3.02Å; A411-G415 PolarHBondContact O-N 2.9Å; A411-A416 HydrophobicContact CB-CB 3.95Å; A411-A416 WeakPolarHBondContact O-CB 3.41Å; A411-A416 PolarHBondContact O-N 3Å; A411-V418 HydrophobicContact CB-CG1 4.01Å |
| 412 | Q | 94.9 | Very high | 92.1 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 172.5 | -172.6 | -174 | 50.7 | 0 | 0 | 111.1 | L408 L409 A414 G415 V418 F428 | L408-Q412 WeakPolarHBondContact O-CB 3.49Å; L408-Q412 PolarHBondContact O-N 3.11Å; L409-Q412 WeakPolarHBondContact O-CB 3.45Å; L409-Q412 PolarHBondContact O-N 2.89Å; Q412-A414 PolarHBondContact O-N 2.96Å; Q412-G415 PolarHBondContact O-N 3.41Å; Q412-V418 HydrophobicContact CB-CG2 3.58Å; Q412-V418 HydrophobicContact CG-CG2 4.23Å; Q412-F428 HydrophobicContact CB-CE1 4.09Å; Q412-F428 HydrophobicContact CG-CE1 4.42Å |
| 413 | R | 94.7 | Very high | 91.4 | Very high | 117 Ų | 117 | 43 Ų | 43 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 175.5 | -70.3 | 170 | 176 | 171.7 | 0.2 | 112.2 | L409 E410 G415 E598 | L409-R413 WeakPolarHBondContact O-CG 3.49Å; L409-R413 PolarHBondContact O-N 3.45Å; E410-R413 PolarHBondContact O-N 2.88Å; E410-R413 IonicContact OE1-CZ 3.43Å; E410-R413 IonicContact OE1-NH1 3.82Å; E410-R413 PolarHBondContact OE1-NH1 3.27Å; R413-G415 VanDerWaalsContact C-N 3.27Å; R413-G415 PolarHBondContact O-N 3.45Å; R413-E598 IonicContact CZ-OE1 2.71Å; R413-E598 IonicContact NH1-OE1 3.3Å; R413-E598 IonicContact NH2-OE1 3.66Å; R413-E598 PolarHBondContact NH2-OE1 3.04Å |
| 414 | A | 96.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q380 L383 R384 E410 A411 Q412 | Q380-A414 HydrophobicContact CB-CB 3.77Å; Q380-A414 HydrophobicContact CG-CB 3.84Å; L383-A414 HydrophobicContact CB-CB 4.25Å; L383-A414 HydrophobicContact CD1-CB 4.22Å; R384-A414 WeakPolarHBondContact CD-O 3.44Å; R384-A414 PolarHBondContact NH1-O 3.04Å; E410-A414 WeakPolarHBondContact O-CB 3.02Å; E410-A414 PolarHBondContact O-N 2.98Å; A411-A414 CarbonylContact O-C 3.43Å; A411-A414 WeakPolarHBondContact O-CB 3.28Å; A411-A414 PolarHBondContact O-N 3.02Å; Q412-A414 PolarHBondContact O-N 2.96Å |
| 415 | G | 95.8 | Very high | 90.3 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 60% | 0.598 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 24.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A411 Q412 R413 | A411-G415 PolarHBondContact O-N 2.9Å; Q412-G415 PolarHBondContact O-N 3.41Å; R413-G415 VanDerWaalsContact C-N 3.27Å; R413-G415 PolarHBondContact O-N 3.45Å |
| 416 | A | 96.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -75.9 | 154 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | R384 I387 A411 V418 | R384-A416 HydrophobicContact CG-CB 4.23Å; I387-A416 HydrophobicContact CB-CB 3.92Å; I387-A416 HydrophobicContact CG1-CB 3.87Å; I387-A416 HydrophobicContact CG2-CB 4.1Å; A411-A416 HydrophobicContact CB-CB 3.95Å; A411-A416 WeakPolarHBondContact O-CB 3.41Å; A411-A416 PolarHBondContact O-N 3Å; A416-V418 VanDerWaalsContact C-N 3.28Å; A416-V418 HydrophobicContact CB-CG1 4.3Å; A416-V418 PolarHBondContact O-N 3.37Å | ||
| 417 | E | 94.1 | Very high | 89.4 | Confident | 147 Ų | 147 | 50.7 Ų | 50.7 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -77.7 | 70.7 | -178.6 | -65.6 | 178.2 | 175.8 | 0 | 0 | 112.3 | N391 | N391-E417 PolarHBondContact ND2-O 3.27Š|
| 418 | V | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -112.5 | -6.7 | -178.8 | -61.7 | 0 | 0 | 0 | 0 | 114 | I387 L408 A411 Q412 A416 F428 R429 | I387-V418 HydrophobicContact CB-CG1 4.3Å; I387-V418 HydrophobicContact CD1-CG1 3.53Å; I387-V418 HydrophobicContact CG1-CG1 3.63Å; I387-V418 HydrophobicContact CG2-CG1 3.71Å; L408-V418 HydrophobicContact CD2-CB 4.32Å; L408-V418 HydrophobicContact CD2-CG1 3.94Å; A411-V418 HydrophobicContact CB-CG1 4.01Å; Q412-V418 HydrophobicContact CB-CG2 3.58Å; Q412-V418 HydrophobicContact CG-CG2 4.23Å; A416-V418 VanDerWaalsContact C-N 3.28Å; A416-V418 HydrophobicContact CB-CG1 4.3Å; A416-V418 PolarHBondContact O-N 3.37Å; V418-F428 HydrophobicContact CB-CD1 4.32Å; V418-F428 HydrophobicContact CG2-CD1 3.98Å; V418-F428 HydrophobicContact CG2-CE1 4.33Å; V418-F428 CarbonylContact O-C 3.58Å; V418-F428 VanDerWaalsContact O-CA 3.29Å; V418-F428 WeakPolarHBondContact O-CA 3.46Å; V418-F428 WeakPolarHBondContact O-CB 3.32Å; V418-R429 PolarHBondContact O-N 3.3Å | ||
| 419 | S | 90.2 | Very high | 89.1 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 141.8 | -179.6 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 420 | K | 88.4 | Confident | 89.1 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 133.4 | 171.1 | -175.5 | 179.2 | 169.6 | -161.2 | 0 | 110.1 | G422 G423 E427 | K420-G422 PolarHBondContact O-N 2.87Å; K420-G423 PolarHBondContact O-N 3.33Å; K420-E427 HydrophobicContact CD-CB 4.31Å; K420-E427 WeakPolarHBondContact CD-OE2 3.38Å; K420-E427 IonicContact NZ-OE2 2.7Å; K420-E427 PolarHBondContact NZ-OE2 3.22Å |
| 421 | V | 82.6 | Confident | 88.9 | Confident | 149 Ų | 149 | 56.4 Ų | 56.4 | 90% | 0.903 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 123.5 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | G423 | V421-G423 PolarHBondContact O-N 3.3Š|
| 422 | G | 80.3 | Confident | 88.6 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 89% | 0.887 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K420 | K420-G422 PolarHBondContact O-N 2.87Š|
| 423 | G | 77.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | trans | -76 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K420 V421 | K420-G423 PolarHBondContact O-N 3.33Å; V421-G423 PolarHBondContact O-N 3.3Å | ||
| 424 | G | 78.2 | Confident | 87.9 | Confident | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | trans | -72.2 | -177.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T426 E427 | G424-T426 PolarHBondContact O-N 3.39Å; G424-T426 VanDerWaalsContact O-N 3.08Å; G424-E427 PolarHBondContact O-N 2.98Å | ||
| 425 | A | 78.8 | Confident | 87.4 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 63% | 0.628 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | F566 | A425-F566 HydrophobicContact CB-CZ 4.29Š|
| 426 | T | 78 | Confident | 86.9 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 2.5 | 179.9 | 55.9 | 0 | 0 | 0 | 0 | 113 | G424 Q435 P553 F554 F566 | G424-T426 PolarHBondContact O-N 3.39Å; G424-T426 VanDerWaalsContact O-N 3.08Å; T426-Q435 PolarHBondContact O-NE2 3.24Å; T426-P553 HydrophobicContact CG2-CB 3.88Å; T426-F554 HydrophobicContact CG2-CE1 4.31Å; T426-F566 HydrophobicContact CG2-CE1 4.2Å; T426-F566 HydrophobicContact CG2-CE2 3.7Å; T426-F566 HydrophobicContact CG2-CZ 3.36Å |
| 427 | E | 83.9 | Confident | 86.3 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | trans | -102 | 113 | -176 | -68.2 | -165.5 | -162.6 | 0 | 0 | 112.1 | K420 G424 | K420-E427 HydrophobicContact CD-CB 4.31Å; K420-E427 WeakPolarHBondContact CD-OE2 3.38Å; K420-E427 IonicContact NZ-OE2 2.7Å; K420-E427 PolarHBondContact NZ-OE2 3.22Å; G424-E427 PolarHBondContact O-N 2.98Å | ||
| 428 | F | 91 | Very high | 86 | Confident | 20 Ų | 20 | 41.8 Ų | 41.8 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 166.5 | 172.9 | -58.1 | -71.9 | 0 | 0 | 0 | 111.2 | L408 L409 Q412 V418 Y430 F554 | L408-F428 HydrophobicContact CB-CB 4.38Å; L408-F428 HydrophobicContact CB-CD1 4.1Å; L408-F428 HydrophobicContact CB-CD2 3.84Å; L408-F428 HydrophobicContact CB-CE1 4.35Å; L408-F428 HydrophobicContact CB-CE2 4.1Å; L408-F428 HydrophobicContact CB-CG 3.84Å; L408-F428 HydrophobicContact CB-CZ 4.35Å; L408-F428 HydrophobicContact CD1-CB 3.68Å; L408-F428 HydrophobicContact CD1-CD2 3.98Å; L408-F428 HydrophobicContact CD1-CG 3.96Å; L409-F428 HydrophobicContact CB-CZ 4.45Å; Q412-F428 HydrophobicContact CB-CE1 4.09Å; Q412-F428 HydrophobicContact CG-CE1 4.42Å; V418-F428 HydrophobicContact CB-CD1 4.32Å; V418-F428 HydrophobicContact CG2-CD1 3.98Å; V418-F428 HydrophobicContact CG2-CE1 4.33Å; V418-F428 CarbonylContact O-C 3.58Å; V418-F428 VanDerWaalsContact O-CA 3.29Å; V418-F428 WeakPolarHBondContact O-CA 3.46Å; V418-F428 WeakPolarHBondContact O-CB 3.32Å; F428-Y430 WeakPolarHBondContact CB-O 3.42Å; F428-Y430 PolarHBondContact O-N 3.06Å; F428-F554 HydrophobicContact CE2-CD1 4.06Å; F428-F554 HydrophobicContact CE2-CE1 4.39Å; F428-F554 HydrophobicContact CZ-CD1 4.42Å; F428-F554 HydrophobicContact CZ-CE1 4.35Å |
| 429 | R | 92.6 | Very high | 85.5 | Confident | 96 Ų | 96 | 41.8 Ų | 41.8 | 36% | 0.362 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -56.1 | -33.9 | 173.1 | -177.6 | 177.8 | -174.8 | 160.1 | -0.7 | 111.6 | D395 V418 | D395-R429 IonicContact OD1-CZ 3.54Å; D395-R429 IonicContact OD1-NH2 2.67Å; D395-R429 PolarHBondContact OD1-NH2 3.07Å; D395-R429 IonicContact OD2-NH2 3.73Å; D395-R429 PolarHBondContact OD2-NH2 2.97Å; D395-R429 VanDerWaalsContact OD2-NH2 3.09Å; V418-R429 PolarHBondContact O-N 3.3Å |
| 430 | Y | 93.6 | Very high | 85.4 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -109.4 | 136.4 | 175.6 | -55.6 | -63.1 | 0 | 0 | 0 | 110 | I390 N391 S394 F400 L408 F428 | I390-Y430 HydrophobicContact CG2-CD2 4.46Å; I390-Y430 HydrophobicContact CG2-CE1 4.47Å; I390-Y430 HydrophobicContact CG2-CE2 3.76Å; N391-Y430 WeakPolarHBondContact CA-OH 3.41Å; N391-Y430 WeakPolarHBondContact OD1-CE2 3.11Å; N391-Y430 PolarHBondContact OD1-OH 3.25Å; S394-Y430 WeakPolarHBondContact CB-OH 3.46Å; S394-Y430 WeakPolarHBondContact OG-CE1 3.41Å; F400-Y430 HydrophobicContact CB-CD1 3.9Å; F400-Y430 HydrophobicContact CB-CE1 4.1Å; F400-Y430 HydrophobicContact CB-CG 4.3Å; F400-Y430 HydrophobicContact CD1-CD1 4.2Å; F400-Y430 AromaticContact CD1-CD2 3.9Å; F400-Y430 HydrophobicContact CD1-CD2 3.9Å; F400-Y430 AromaticContact CD1-CG 3.72Å; F400-Y430 HydrophobicContact CD1-CG 3.72Å; F400-Y430 HydrophobicContact CG-CG 4.46Å; L408-Y430 VanDerWaalsContact CD1-O 3.24Å; L408-Y430 WeakPolarHBondContact CD1-O 3.35Å; L408-Y430 HydrophobicContact CD2-CD2 4.09Å; F428-Y430 WeakPolarHBondContact CB-O 3.42Å; F428-Y430 PolarHBondContact O-N 3.06Å |
| 431 | P | 91.1 | Very high | 85.4 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | trans | -71.5 | 153.3 | 175.1 | 32.6 | -35.7 | 0 | 0 | 0 | 110.3 | F399 W401 D402 Q435 H436 | F399-P431 HydrophobicContact CZ-CG 3.72Å; W401-P431 VanDerWaalsContact CA-O 3.31Å; W401-P431 WeakPolarHBondContact CA-O 3.27Å; W401-P431 WeakPolarHBondContact CB-O 3.24Å; D402-P431 PolarHBondContact N-O 3.32Å; P431-Q435 VanDerWaalsContact CA-OE1 3.28Å; P431-Q435 HydrophobicContact CB-CB 4.07Å; P431-H436 HydrophobicContact CB-CB 4.21Å; P431-H436 WeakPolarHBondContact CB-ND1 3.1Å; P431-H436 HydrophobicContact CG-CB 4.41Å; P431-H436 WeakPolarHBondContact CG-ND1 3.21Å | ||
| 432 | S | 89.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -69.2 | 154.9 | 157.4 | 90.1 | 0 | 0 | 0 | 0 | 109.9 | D402 V434 Q435 H436 S558 | D402-S432 CarbonylContact O-C 3.59Å; D402-S432 WeakPolarHBondContact O-CA 3.4Å; S432-V434 PolarHBondContact O-N 3.12Å; S432-V434 VanDerWaalsContact O-N 3.15Å; S432-V434 PolarHBondContact OG-N 2.76Å; S432-Q435 WeakPolarHBondContact O-CB 3.38Å; S432-Q435 PolarHBondContact O-N 3.47Å; S432-Q435 WeakPolarHBondContact OG-CG 3.44Å; S432-Q435 PolarHBondContact OG-N 2.82Å; S432-Q435 VanDerWaalsContact OG-N 3.07Å; S432-H436 PolarHBondContact O-N 3.3Å; S432-S558 PolarHBondContact OG-OG 3.22Å |
| 433 | Y | 89.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 24.4 Ų | 24.4 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -27.2 | 173.3 | 81.3 | -70.5 | 0 | 0 | 0 | 111.5 | T225 W401 D402 Y403 I437 M438 H545 R555 | T225-Y433 HydrophobicContact CG2-CD2 4.04Å; T225-Y433 HydrophobicContact CG2-CG 4.36Å; T225-Y433 WeakPolarHBondContact OG1-CD2 3.29Å; W401-Y433 VanDerWaalsContact CD1-CB 3.47Å; D402-Y433 PolarHBondContact O-N 3.15Å; Y403-Y433 VanDerWaalsContact O-CE1 3.29Å; Y403-Y433 WeakPolarHBondContact O-CE1 3.31Å; Y433-I437 CarbonylContact O-C 3.49Å; Y433-I437 VanDerWaalsContact O-CA 3.24Å; Y433-I437 WeakPolarHBondContact O-CA 3.01Å; Y433-I437 WeakPolarHBondContact O-CB 3.19Å; Y433-I437 PolarHBondContact O-N 3.22Å; Y433-M438 HydrophobicContact CD2-CB 4.25Å; Y433-M438 HydrophobicContact CD2-CG 3.3Å; Y433-M438 HydrophobicContact CE2-CB 4.25Å; Y433-M438 HydrophobicContact CE2-CG 3.43Å; Y433-M438 VanDerWaalsContact CE2-CG 3.43Å; Y433-M438 HydrophobicContact CG-CG 4.44Å; Y433-M438 PolarHBondContact O-N 3Å; Y433-H545 AromaticContact CE2-NE2 3.67Å; Y433-H545 AromaticContact CZ-CE1 3.64Å; Y433-H545 AromaticContact CZ-NE2 3.6Å; Y433-H545 PolarHBondContact OH-CE1 3.29Å; Y433-H545 PolarHBondContact OH-ND1 3.09Å; Y433-H545 PolarHBondContact OH-NE2 3.46Å; Y433-R555 PolarHBondContact OH-NH2 3.12Å |
| 434 | V | 85.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -73.4 | -40.8 | 173.9 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | S432 H436 M438 G439 F442 R555 | S432-V434 PolarHBondContact O-N 3.12Å; S432-V434 VanDerWaalsContact O-N 3.15Å; S432-V434 PolarHBondContact OG-N 2.76Å; V434-H436 VanDerWaalsContact C-N 3.3Å; V434-H436 PolarHBondContact O-N 3.06Å; V434-M438 HydrophobicContact CG2-CB 4.43Å; V434-G439 WeakPolarHBondContact O-CA 3.42Å; V434-G439 PolarHBondContact O-N 3.41Å; V434-F442 HydrophobicContact CG1-CD2 4.14Å; V434-F442 HydrophobicContact CG1-CE2 4.11Å; V434-R555 WeakPolarHBondContact CB-O 3.28Å; V434-R555 WeakPolarHBondContact CG1-O 3.46Å; V434-R555 HydrophobicContact CG2-CB 4.4Å |
| 435 | Q | 85.5 | Confident | 88.2 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -53.6 | -47.2 | -177.8 | -73.3 | -179.8 | -45.8 | 0 | 0 | 112.6 | T426 P431 S432 S558 | T426-Q435 PolarHBondContact O-NE2 3.24Å; P431-Q435 VanDerWaalsContact CA-OE1 3.28Å; P431-Q435 HydrophobicContact CB-CB 4.07Å; S432-Q435 WeakPolarHBondContact O-CB 3.38Å; S432-Q435 PolarHBondContact O-N 3.47Å; S432-Q435 WeakPolarHBondContact OG-CG 3.44Å; S432-Q435 PolarHBondContact OG-N 2.82Å; S432-Q435 VanDerWaalsContact OG-N 3.07Å; Q435-S558 WeakPolarHBondContact CG-O 3.33Å; Q435-S558 WeakPolarHBondContact CG-OG 3.49Å; Q435-S558 PolarHBondContact N-OG 3.39Å; Q435-S558 PolarHBondContact NE2-O 3.02Å |
| 436 | H | 84.9 | Confident | 89.1 | Confident | 64 Ų | 64 | 17.6 Ų | 17.6 | 30% | 0.296 | 8% | 0.082 | S | C | . | . | I | π-helix | trans | -116.2 | -9.6 | -172.4 | -71.3 | -177.6 | 0 | 0 | 0 | 115.2 | R232 Y233 P431 S432 V434 | R232-H436 VanDerWaalsContact CD-O 3.25Å; R232-H436 WeakPolarHBondContact CD-O 3.42Å; R232-H436 PolarHBondContact NE-O 3.19Å; R232-H436 PolarHBondContact NH1-O 2.97Å; Y233-H436 WeakPolarHBondContact OH-CB 3.32Å; Y233-H436 PolarHBondContact OH-ND1 3Å; Y233-H436 VanDerWaalsContact OH-ND1 3.11Å; P431-H436 HydrophobicContact CB-CB 4.21Å; P431-H436 WeakPolarHBondContact CB-ND1 3.1Å; P431-H436 HydrophobicContact CG-CB 4.41Å; P431-H436 WeakPolarHBondContact CG-ND1 3.21Å; S432-H436 PolarHBondContact O-N 3.3Å; V434-H436 VanDerWaalsContact C-N 3.3Å; V434-H436 PolarHBondContact O-N 3.06Å |
| 437 | I | 84.3 | Confident | 89.9 | Confident | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.041 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -116.8 | -68.5 | -177.6 | -51.7 | 174 | 0 | 0 | 0 | 109.7 | T225 N228 A229 Y233 Y433 | T225-I437 HydrophobicContact CG2-CD1 4.03Å; N228-I437 HydrophobicContact CB-CG2 3.32Å; A229-I437 HydrophobicContact CB-CD1 3.83Å; Y233-I437 HydrophobicContact CE2-CD1 4.19Å; Y233-I437 HydrophobicContact CE2-CG1 4.22Å; Y433-I437 CarbonylContact O-C 3.49Å; Y433-I437 VanDerWaalsContact O-CA 3.24Å; Y433-I437 WeakPolarHBondContact O-CA 3.01Å; Y433-I437 WeakPolarHBondContact O-CB 3.19Å; Y433-I437 PolarHBondContact O-N 3.22Å |
| 438 | M | 85.9 | Confident | 90.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -81 | -24.9 | -171 | -59.2 | -59 | -63.5 | 0 | 0 | 114.1 | Y433 V434 D440 I441 F442 Y512 | Y433-M438 HydrophobicContact CD2-CB 4.25Å; Y433-M438 HydrophobicContact CD2-CG 3.3Å; Y433-M438 HydrophobicContact CE2-CB 4.25Å; Y433-M438 HydrophobicContact CE2-CG 3.43Å; Y433-M438 VanDerWaalsContact CE2-CG 3.43Å; Y433-M438 HydrophobicContact CG-CG 4.44Å; Y433-M438 PolarHBondContact O-N 3Å; V434-M438 HydrophobicContact CG2-CB 4.43Å; M438-D440 VanDerWaalsContact C-N 3.29Å; M438-D440 PolarHBondContact O-N 3.02Å; M438-I441 HydrophobicContact CE-CD1 4.15Å; M438-I441 CarbonylContact O-C 3.59Å; M438-I441 WeakPolarHBondContact O-CA 3.28Å; M438-I441 WeakPolarHBondContact O-CB 3.35Å; M438-I441 PolarHBondContact O-N 3.04Å; M438-I441 VanDerWaalsContact O-N 3.07Å; M438-I441 HydrophobicContact SD-CD1 3.72Å; M438-F442 HydrophobicContact CB-CD2 4.43Å; M438-F442 HydrophobicContact CB-CE2 4.08Å; M438-F442 HydrophobicContact CB-CZ 4.49Å; M438-F442 WeakPolarHBondContact O-CD2 3.34Å; M438-F442 WeakPolarHBondContact O-CG 3.31Å; M438-F442 PolarHBondContact O-N 3Å; M438-Y512 HydrophobicContact CE-CD2 3.98Å; M438-Y512 HydrophobicContact CE-CE2 3.2Å |
| 439 | G | 84.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V434 I441 F442 S443 N559 | V434-G439 WeakPolarHBondContact O-CA 3.42Å; V434-G439 PolarHBondContact O-N 3.41Å; G439-I441 VanDerWaalsContact C-N 3.35Å; G439-F442 PolarHBondContact O-N 3.2Å; G439-S443 WeakPolarHBondContact O-CB 3.04Å; G439-S443 PolarHBondContact O-N 2.96Å; G439-S443 PolarHBondContact O-OG 3.3Å; G439-N559 VanDerWaalsContact CA-ND2 3.29Å; G439-N559 WeakPolarHBondContact CA-ND2 3.42Å; G439-N559 PolarHBondContact O-ND2 3.24Å |
| 440 | D | 86.4 | Confident | 91.1 | Very high | 47 Ų | 47 | 9.1 Ų | 9.1 | 25% | 0.251 | 5% | 0.046 | S | C | . | . | H | α-helix | trans | -68.6 | -36.3 | 173.2 | -74.4 | -28 | 0 | 0 | 0 | 111.7 | R232 M438 S443 L444 N640 | R232-D440 IonicContact NH1-OD2 3.86Å; R232-D440 PolarHBondContact NH1-OD2 3.47Å; M438-D440 VanDerWaalsContact C-N 3.29Å; M438-D440 PolarHBondContact O-N 3.02Å; D440-S443 PolarHBondContact O-N 2.85Å; D440-L444 WeakPolarHBondContact O-CG 3.43Å; D440-L444 PolarHBondContact O-N 2.87Å; D440-N640 PolarHBondContact OD1-ND2 3.34Å |
| 441 | I | 90.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 8.8 Ų | 8.8 | 3% | 0.026 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 175.9 | -59 | 174.4 | 0 | 0 | 0 | 110.2 | M438 G439 S443 L444 F446 Y512 | M438-I441 HydrophobicContact CE-CD1 4.15Å; M438-I441 CarbonylContact O-C 3.59Å; M438-I441 WeakPolarHBondContact O-CA 3.28Å; M438-I441 WeakPolarHBondContact O-CB 3.35Å; M438-I441 PolarHBondContact O-N 3.04Å; M438-I441 VanDerWaalsContact O-N 3.07Å; M438-I441 HydrophobicContact SD-CD1 3.72Å; G439-I441 VanDerWaalsContact C-N 3.35Å; I441-S443 VanDerWaalsContact C-N 3.33Å; I441-S443 PolarHBondContact O-N 3.2Å; I441-L444 WeakPolarHBondContact O-CB 3.49Å; I441-L444 PolarHBondContact O-N 3.17Å; I441-F446 HydrophobicContact CG2-CB 3.43Å; I441-F446 VanDerWaalsContact CG2-CB 3.43Å; I441-F446 HydrophobicContact CG2-CG 4.36Å; I441-F446 PolarHBondContact O-N 2.87Å; I441-Y512 HydrophobicContact CG2-CD2 4.3Å |
| 442 | F | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 173.4 | -69 | -39 | 0 | 0 | 0 | 112.4 | V434 M438 G439 L444 G445 F446 Y512 H545 V547 | V434-F442 HydrophobicContact CG1-CD2 4.14Å; V434-F442 HydrophobicContact CG1-CE2 4.11Å; M438-F442 HydrophobicContact CB-CD2 4.43Å; M438-F442 HydrophobicContact CB-CE2 4.08Å; M438-F442 HydrophobicContact CB-CZ 4.49Å; M438-F442 WeakPolarHBondContact O-CD2 3.34Å; M438-F442 WeakPolarHBondContact O-CG 3.31Å; M438-F442 PolarHBondContact O-N 3Å; G439-F442 PolarHBondContact O-N 3.2Å; F442-L444 PolarHBondContact O-N 3.18Å; F442-G445 WeakPolarHBondContact O-CA 3.22Å; F442-G445 PolarHBondContact O-N 2.94Å; F442-F446 WeakPolarHBondContact CD1-O 3.46Å; F442-Y512 HydrophobicContact CE1-CE2 4.11Å; F442-H545 AromaticContact CE2-CE1 3.5Å; F442-H545 AromaticContact CE2-NE2 3.86Å; F442-H545 AromaticContact CZ-CD2 3.76Å; F442-H545 AromaticContact CZ-CE1 3.41Å; F442-H545 VanDerWaalsContact CZ-CE1 3.41Å; F442-H545 WeakPolarHBondContact CZ-CE1 3.35Å; F442-H545 AromaticContact CZ-ND1 3.86Å; F442-H545 AromaticContact CZ-NE2 3.39Å; F442-H545 WeakPolarHBondContact CZ-NE2 3.45Å; F442-V547 HydrophobicContact CB-CB 4.23Å; F442-V547 HydrophobicContact CB-CG2 4.46Å; F442-V547 HydrophobicContact CD1-CB 4.44Å; F442-V547 WeakPolarHBondContact O-CG2 3.35Å |
| 443 | S | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.7 | -19 | 175.6 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | G439 D440 I441 G445 N638 N640 A641 | G439-S443 WeakPolarHBondContact O-CB 3.04Å; G439-S443 PolarHBondContact O-N 2.96Å; G439-S443 PolarHBondContact O-OG 3.3Å; D440-S443 PolarHBondContact O-N 2.85Å; I441-S443 VanDerWaalsContact C-N 3.33Å; I441-S443 PolarHBondContact O-N 3.2Å; S443-G445 VanDerWaalsContact C-N 3.28Å; S443-N638 VanDerWaalsContact CB-CG 3.46Å; S443-N638 WeakPolarHBondContact CB-OD1 3.33Å; S443-N638 PolarHBondContact OG-ND2 3.11Å; S443-N638 PolarHBondContact OG-OD1 3.32Å; S443-N640 CarbonylContact O-C 3.53Å; S443-A641 WeakPolarHBondContact O-CA 3.44Å; S443-A641 PolarHBondContact O-N 3.44Å |
| 444 | L | 94.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.031 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.7 | 169.3 | -61.3 | 169.6 | 0 | 0 | 0 | 113.4 | D440 I441 F442 F446 R482 V483 Q486 N640 | D440-L444 WeakPolarHBondContact O-CG 3.43Å; D440-L444 PolarHBondContact O-N 2.87Å; I441-L444 WeakPolarHBondContact O-CB 3.49Å; I441-L444 PolarHBondContact O-N 3.17Å; F442-L444 PolarHBondContact O-N 3.18Å; L444-F446 VanDerWaalsContact C-N 3.25Å; L444-F446 HydrophobicContact CB-CD2 3.77Å; L444-F446 HydrophobicContact CB-CE2 4.3Å; L444-F446 PolarHBondContact O-N 2.92Å; L444-R482 HydrophobicContact CD1-CG 4.08Å; L444-R482 VanDerWaalsContact CD2-NH2 3.3Å; L444-V483 HydrophobicContact CD2-CG2 4.49Å; L444-Q486 HydrophobicContact CD1-CG 4.42Å; L444-N640 HydrophobicContact CD2-CB 3.82Å; L444-N640 HydrophobicContact CG-CB 4.19Å |
| 445 | G | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -4.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F442 S443 D514 | F442-G445 WeakPolarHBondContact O-CA 3.22Å; F442-G445 PolarHBondContact O-N 2.94Å; S443-G445 VanDerWaalsContact C-N 3.28Å; G445-D514 WeakPolarHBondContact O-CA 3.16Å |
| 446 | F | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -72.5 | 131.2 | 179.3 | -78.7 | -99.3 | 0 | 0 | 0 | 110.7 | I441 F442 L444 V483 Q486 Y487 D514 | I441-F446 HydrophobicContact CG2-CB 3.43Å; I441-F446 VanDerWaalsContact CG2-CB 3.43Å; I441-F446 HydrophobicContact CG2-CG 4.36Å; I441-F446 PolarHBondContact O-N 2.87Å; F442-F446 WeakPolarHBondContact CD1-O 3.46Å; L444-F446 VanDerWaalsContact C-N 3.25Å; L444-F446 HydrophobicContact CB-CD2 3.77Å; L444-F446 HydrophobicContact CB-CE2 4.3Å; L444-F446 PolarHBondContact O-N 2.92Å; F446-V483 HydrophobicContact CE2-CG1 3.9Å; F446-V483 HydrophobicContact CZ-CG1 3.9Å; F446-Q486 HydrophobicContact CD1-CB 3.8Å; F446-Q486 HydrophobicContact CD2-CB 4.2Å; F446-Q486 HydrophobicContact CD2-CG 4.37Å; F446-Q486 HydrophobicContact CE1-CB 3.55Å; F446-Q486 HydrophobicContact CE2-CB 3.98Å; F446-Q486 HydrophobicContact CE2-CG 4.38Å; F446-Q486 HydrophobicContact CG-CB 4.11Å; F446-Q486 HydrophobicContact CZ-CB 3.65Å; F446-Y487 AromaticContact CE1-CD1 3.92Å; F446-Y487 HydrophobicContact CE1-CD1 3.92Å; F446-Y487 HydrophobicContact CE1-CD2 4.4Å; F446-Y487 AromaticContact CE1-CE1 3.83Å; F446-Y487 HydrophobicContact CE1-CE1 3.83Å; F446-Y487 HydrophobicContact CE1-CE2 4.31Å; F446-Y487 HydrophobicContact CE1-CG 4.22Å; F446-Y487 HydrophobicContact CZ-CD1 4.2Å; F446-Y487 AromaticContact CZ-CD2 3.89Å; F446-Y487 HydrophobicContact CZ-CD2 3.89Å; F446-Y487 AromaticContact CZ-CE1 3.98Å; F446-Y487 HydrophobicContact CZ-CE1 3.98Å; F446-Y487 AromaticContact CZ-CE2 3.65Å; F446-Y487 HydrophobicContact CZ-CE2 3.65Å; F446-Y487 HydrophobicContact CZ-CG 4.17Å; F446-Y487 AromaticContact CZ-CZ 3.71Å; F446-D514 HydrophobicContact CD2-CB 3.82Å; F446-D514 HydrophobicContact CE2-CB 3.75Å; F446-D514 HydrophobicContact CG-CB 4.26Å; F446-D514 HydrophobicContact CZ-CB 4.14Å | ||
| 447 | G | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | -178.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F449 Y512 S513 R518 D546 | G447-F449 PolarHBondContact O-N 3.18Å; G447-Y512 VanDerWaalsContact CA-CD2 3.5Å; G447-Y512 WeakPolarHBondContact O-CA 3.22Å; G447-S513 PolarHBondContact N-O 3.47Å; G447-S513 PolarHBondContact O-N 3.49Å; G447-S513 VanDerWaalsContact O-N 3.09Å; G447-R518 PolarHBondContact O-NH2 2.7Å; G447-D546 WeakPolarHBondContact CA-OD1 3.3Å |
| 448 | P | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 126.1 | -171.4 | 24.2 | -34 | 0 | 0 | 0 | 111.3 | I510 Y512 R542 D543 H545 D546 | P448-I510 HydrophobicContact CB-CD1 4.1Å; P448-Y512 HydrophobicContact CB-CD1 4.29Å; P448-Y512 HydrophobicContact CB-CE1 3.8Å; P448-Y512 HydrophobicContact CG-CE1 4.34Å; P448-R542 HydrophobicContact CB-CB 4.27Å; P448-R542 HydrophobicContact CG-CB 4.18Å; P448-R542 WeakPolarHBondContact O-CB 3.22Å; P448-D543 HydrophobicContact CB-CB 4.28Å; P448-D543 HydrophobicContact CG-CB 4.08Å; P448-H545 WeakPolarHBondContact CD-O 3.29Å; P448-H545 WeakPolarHBondContact CG-O 3.39Å; P448-D546 HydrophobicContact CG-CB 4.04Å |
| 449 | F | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 115.5 | 168.8 | -176.4 | -100.6 | 0 | 0 | 0 | 107.7 | G447 W451 I510 L511 R518 I521 A522 I540 L622 | G447-F449 PolarHBondContact O-N 3.18Å; F449-W451 HydrophobicContact CD1-CE3 4.07Å; F449-W451 HydrophobicContact CD1-CZ3 4.21Å; F449-W451 HydrophobicContact CE1-CE3 4.07Å; F449-W451 HydrophobicContact CE1-CZ3 4.42Å; F449-I510 CarbonylContact O-C 3.59Å; F449-I510 WeakPolarHBondContact O-CA 3.45Å; F449-L511 HydrophobicContact CB-CD1 4.22Å; F449-L511 HydrophobicContact CD1-CD1 4.39Å; F449-L511 PolarHBondContact N-O 3.23Å; F449-L511 PolarHBondContact O-N 3.12Å; F449-L511 VanDerWaalsContact O-O 3.14Å; F449-R518 HydrophobicContact CB-CG 4.09Å; F449-R518 HydrophobicContact CD2-CB 3.82Å; F449-R518 HydrophobicContact CD2-CG 3.5Å; F449-R518 VanDerWaalsContact CD2-CG 3.5Å; F449-R518 HydrophobicContact CE2-CB 3.91Å; F449-R518 HydrophobicContact CE2-CG 4.13Å; F449-R518 HydrophobicContact CG-CG 3.98Å; F449-I521 HydrophobicContact CD1-CD1 4.45Å; F449-I521 HydrophobicContact CD1-CG2 4.44Å; F449-I521 HydrophobicContact CE1-CB 3.95Å; F449-I521 HydrophobicContact CE1-CD1 4.45Å; F449-I521 HydrophobicContact CE1-CG2 3.54Å; F449-I521 HydrophobicContact CZ-CB 4.29Å; F449-I521 HydrophobicContact CZ-CG2 4.16Å; F449-A522 HydrophobicContact CZ-CB 4.25Å; F449-I540 HydrophobicContact CD2-CG2 4.05Å; F449-I540 HydrophobicContact CE1-CD1 4.29Å; F449-I540 HydrophobicContact CE2-CG2 3.35Å; F449-I540 HydrophobicContact CZ-CD1 3.87Å; F449-I540 HydrophobicContact CZ-CG1 4.31Å; F449-I540 HydrophobicContact CZ-CG2 3.68Å; F449-L622 HydrophobicContact CE2-CD1 4.29Å; F449-L622 HydrophobicContact CE2-CD2 4.43Å |
| 450 | R | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 2% | 0.023 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154.9 | -175.1 | 96.6 | -161.2 | -62.7 | 162.4 | 6.4 | 110.7 | T206 C211 I213 R509 I510 I540 S541 | T206-R450 VanDerWaalsContact CG2-NH1 3.28Å; C211-R450 PolarHBondContact O-NE 3.44Å; C211-R450 VanDerWaalsContact O-NE 3.15Å; C211-R450 PolarHBondContact O-NH1 2.8Å; C211-R450 PolarHBondContact O-NH2 2.57Å; I213-R450 HydrophobicContact CD1-CB 4.33Å; I213-R450 VanDerWaalsContact N-NH2 3.13Å; R450-R509 CarbonylContact C-O 3.6Å; R450-R509 VanDerWaalsContact CA-O 3.23Å; R450-R509 WeakPolarHBondContact CA-O 3.25Å; R450-R509 WeakPolarHBondContact CB-O 3.41Å; R450-I510 HydrophobicContact CB-CB 4.17Å; R450-I510 HydrophobicContact CB-CG1 4.17Å; R450-I540 WeakPolarHBondContact O-CA 3.47Å; R450-S541 VanDerWaalsContact CG-C 3.46Å; R450-S541 WeakPolarHBondContact CG-O 3.44Å; R450-S541 PolarHBondContact N-O 2.83Å; R450-S541 PolarHBondContact O-N 3.19Å; R450-S541 VanDerWaalsContact O-O 3.14Å |
| 451 | W | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159.6 | 170.1 | 68.6 | 92.5 | 0 | 0 | 0 | 113.2 | F449 T464 A468 I494 A508 R509 L511 I525 V538 V539 I540 | F449-W451 HydrophobicContact CD1-CE3 4.07Å; F449-W451 HydrophobicContact CD1-CZ3 4.21Å; F449-W451 HydrophobicContact CE1-CE3 4.07Å; F449-W451 HydrophobicContact CE1-CZ3 4.42Å; W451-T464 VanDerWaalsContact NE1-CB 3.28Å; W451-T464 PolarHBondContact NE1-OG1 3.17Å; W451-A468 HydrophobicContact CH2-CB 3.75Å; W451-A468 HydrophobicContact CZ2-CB 4.37Å; W451-A468 HydrophobicContact CZ3-CB 4.45Å; W451-I494 HydrophobicContact CH2-CD1 3.84Å; W451-I494 HydrophobicContact CZ2-CD1 4.33Å; W451-A508 CarbonylContact O-C 3.57Å; W451-A508 WeakPolarHBondContact O-CA 3.26Å; W451-A508 WeakPolarHBondContact O-CB 3.47Å; W451-R509 HydrophobicContact CD2-CB 4.03Å; W451-R509 HydrophobicContact CE3-CB 4.34Å; W451-R509 HydrophobicContact CH2-CB 3.8Å; W451-R509 HydrophobicContact CH2-CG 3.43Å; W451-R509 VanDerWaalsContact CH2-CG 3.43Å; W451-R509 HydrophobicContact CZ2-CB 3.42Å; W451-R509 VanDerWaalsContact CZ2-CB 3.42Å; W451-R509 HydrophobicContact CZ2-CG 3.47Å; W451-R509 VanDerWaalsContact CZ2-CG 3.47Å; W451-R509 HydrophobicContact CZ3-CB 4.23Å; W451-R509 HydrophobicContact CZ3-CG 4.05Å; W451-R509 PolarHBondContact N-O 2.84Å; W451-R509 PolarHBondContact O-N 2.75Å; W451-L511 HydrophobicContact CH2-CD2 3.96Å; W451-L511 HydrophobicContact CZ3-CD2 3.9Å; W451-L511 HydrophobicContact CZ3-CG 4.07Å; W451-I525 HydrophobicContact CD2-CD1 4.36Å; W451-I525 HydrophobicContact CG-CD1 4.38Å; W451-V538 HydrophobicContact CB-CG1 3.74Å; W451-V538 HydrophobicContact CG-CG1 4.18Å; W451-V539 CarbonylContact C-O 3.56Å; W451-V539 WeakPolarHBondContact CA-O 3.3Å; W451-V539 WeakPolarHBondContact CB-O 3.46Å; W451-I540 HydrophobicContact CB-CD1 3.49Å; W451-I540 VanDerWaalsContact CB-CD1 3.49Å; W451-I540 HydrophobicContact CG-CD1 4.49Å |
| 452 | V | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.8 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | L105 M106 I213 T454 Q507 A508 V538 V539 | L105-V452 HydrophobicContact CD2-CG1 4.25Å; M106-V452 HydrophobicContact CE-CG2 3.77Å; M106-V452 HydrophobicContact SD-CB 3.89Å; M106-V452 HydrophobicContact SD-CG1 3.96Å; M106-V452 HydrophobicContact SD-CG2 3.74Å; I213-V452 HydrophobicContact CG2-CG2 3.88Å; V452-T454 PolarHBondContact O-N 3.28Å; V452-Q507 CarbonylContact C-O 3.54Å; V452-Q507 WeakPolarHBondContact CA-O 3.38Å; V452-A508 HydrophobicContact CG2-CB 3.83Å; V452-V538 WeakPolarHBondContact O-CA 3.37Å; V452-V539 HydrophobicContact CB-CB 4.38Å; V452-V539 PolarHBondContact N-O 2.93Å; V452-V539 PolarHBondContact O-N 2.82Å |
| 453 | C | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.9 | 173.6 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | S455 G456 D460 Q507 | C453-S455 PolarHBondContact O-N 3.42Å; C453-G456 PolarHBondContact O-N 3.37Å; C453-D460 HydrophobicContact CB-CB 3.94Å; C453-Q507 HydrophobicContact CB-CB 4.16Å; C453-Q507 PolarHBondContact N-O 2.73Å |
| 454 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.4 | -170.6 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | P89 I90 L105 V452 G456 P537 V539 L607 | P89-T454 CarbonylContact C-O 3.32Å; P89-T454 WeakPolarHBondContact CA-O 3.38Å; I90-T454 HydrophobicContact CD1-CG2 4.24Å; I90-T454 WeakPolarHBondContact CG2-OG1 3.03Å; I90-T454 PolarHBondContact N-O 2.86Å; L105-T454 HydrophobicContact CD1-CG2 4.26Å; V452-T454 PolarHBondContact O-N 3.28Å; T454-G456 VanDerWaalsContact C-N 3.29Å; T454-P537 VanDerWaalsContact CB-O 3.26Å; T454-P537 WeakPolarHBondContact CB-O 3.17Å; T454-P537 VanDerWaalsContact CG2-O 3.24Å; T454-P537 WeakPolarHBondContact CG2-O 3.26Å; T454-P537 PolarHBondContact N-O 2.75Å; T454-P537 VanDerWaalsContact N-O 3.11Å; T454-P537 PolarHBondContact OG1-O 3.34Å; T454-V539 HydrophobicContact CG2-CG2 3.79Å; T454-L607 HydrophobicContact CG2-CD1 4.45Å |
| 455 | S | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 20.7 Ų | 20.7 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -28.6 | 168.5 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | P89 C453 D457 D460 S535 | P89-S455 WeakPolarHBondContact CB-O 3.27Å; P89-S455 WeakPolarHBondContact CG-O 3.21Å; C453-S455 PolarHBondContact O-N 3.42Å; S455-D457 PolarHBondContact O-N 2.85Å; S455-D457 PolarHBondContact OG-N 2.87Å; S455-D460 WeakPolarHBondContact CB-OD2 3.5Å; S455-D460 PolarHBondContact OG-OD2 3.4Å; S455-S535 WeakPolarHBondContact CB-OG 3.25Å |
| 456 | G | 97.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 39% | 0.392 | 15% | 0.152 | S | C | . | . | trans | 72.5 | 8.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C453 T454 Q507 | C453-G456 PolarHBondContact O-N 3.37Å; T454-G456 VanDerWaalsContact C-N 3.29Å; G456-Q507 WeakPolarHBondContact O-CG 3.47Å | ||
| 457 | D | 97.9 | Very high | 98.2 | Very high | 71 Ų | 71 | 26.1 Ų | 26.1 | 38% | 0.38 | 16% | 0.157 | S | C | . | . | trans | -85.4 | 121.9 | 179.1 | -168.6 | -18.1 | 0 | 0 | 0 | 111.4 | S455 Q459 D460 L461 | S455-D457 PolarHBondContact O-N 2.85Å; S455-D457 PolarHBondContact OG-N 2.87Å; D457-Q459 PolarHBondContact O-N 3.49Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.28Å; D457-Q459 PolarHBondContact OD1-N 2.91Å; D457-D460 PolarHBondContact O-N 3.36Å; D457-L461 PolarHBondContact O-N 3.34Å | ||
| 458 | P | 97.9 | Very high | 98.3 | Very high | 79 Ų | 79 | 26.1 Ų | 26.1 | 51% | 0.513 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.2 | -26.2 | 172.3 | -23.2 | 32.4 | 0 | 0 | 0 | 114.4 | L461 A462 | P458-L461 WeakPolarHBondContact O-CB 2.96Å; P458-L461 PolarHBondContact O-N 3.47Å; P458-A462 PolarHBondContact O-N 3.48Å |
| 459 | Q | 98.3 | Very high | 98.4 | Very high | 119 Ų | 119 | 26.2 Ų | 26.2 | 56% | 0.556 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -69 | -39.9 | 178.7 | -174.6 | 58.2 | 28.5 | 0 | 0 | 111.7 | D457 L461 A462 V463 | D457-Q459 PolarHBondContact O-N 3.49Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.28Å; D457-Q459 PolarHBondContact OD1-N 2.91Å; Q459-L461 PolarHBondContact O-N 2.99Å; Q459-A462 PolarHBondContact O-N 3.11Å; Q459-V463 WeakPolarHBondContact O-CG2 3.19Å; Q459-V463 PolarHBondContact O-N 3.23Å |
| 460 | D | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 172.9 | -81.3 | -11.6 | 0 | 0 | 0 | 110.6 | C453 S455 D457 V463 T464 V534 S535 | C453-D460 HydrophobicContact CB-CB 3.94Å; S455-D460 WeakPolarHBondContact CB-OD2 3.5Å; S455-D460 PolarHBondContact OG-OD2 3.4Å; D457-D460 PolarHBondContact O-N 3.36Å; D460-V463 PolarHBondContact O-N 3.22Å; D460-T464 WeakPolarHBondContact O-CG2 3.46Å; D460-T464 PolarHBondContact O-N 3.15Å; D460-T464 PolarHBondContact O-OG1 3.44Å; D460-V534 HydrophobicContact CB-CG1 4.07Å; D460-V534 WeakPolarHBondContact OD1-CA 3.22Å; D460-S535 PolarHBondContact OD1-N 2.81Å; D460-S535 PolarHBondContact OD1-OG 3.18Å; D460-S535 PolarHBondContact OD2-N 2.69Å; D460-S535 PolarHBondContact OD2-OG 2.84Å |
| 461 | L | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.7 | -170.1 | 62.4 | 0 | 0 | 0 | 111.5 | D457 P458 Q459 V463 T464 D465 V503 Q507 R509 | D457-L461 PolarHBondContact O-N 3.34Å; P458-L461 WeakPolarHBondContact O-CB 2.96Å; P458-L461 PolarHBondContact O-N 3.47Å; Q459-L461 PolarHBondContact O-N 2.99Å; L461-V463 VanDerWaalsContact C-N 3.34Å; L461-V463 PolarHBondContact O-N 2.97Å; L461-T464 WeakPolarHBondContact CA-OG1 3.45Å; L461-T464 PolarHBondContact O-N 2.6Å; L461-T464 PolarHBondContact O-OG1 3.01Å; L461-D465 PolarHBondContact O-N 2.73Å; L461-V503 HydrophobicContact CD2-CG2 3.69Å; L461-Q507 HydrophobicContact CB-CB 4.29Å; L461-Q507 HydrophobicContact CD2-CB 4.35Å; L461-R509 HydrophobicContact CD1-CB 3.9Å |
| 462 | A | 98.4 | Very high | 98.5 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P458 Q459 T464 D465 D466 | P458-A462 PolarHBondContact O-N 3.48Å; Q459-A462 PolarHBondContact O-N 3.11Å; A462-T464 PolarHBondContact O-N 3.32Å; A462-D465 PolarHBondContact O-N 3.46Å; A462-D466 PolarHBondContact O-N 3.18Å |
| 463 | V | 98.8 | Very high | 98.4 | Very high | 32 Ų | 32 | 36 Ų | 36 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 111 | Q459 D460 L461 D466 I467 V534 | Q459-V463 WeakPolarHBondContact O-CG2 3.19Å; Q459-V463 PolarHBondContact O-N 3.23Å; D460-V463 PolarHBondContact O-N 3.22Å; L461-V463 VanDerWaalsContact C-N 3.34Å; L461-V463 PolarHBondContact O-N 2.97Å; V463-D466 PolarHBondContact O-N 3.45Å; V463-I467 HydrophobicContact CG1-CD1 3.89Å; V463-I467 VanDerWaalsContact O-CG1 3.28Å; V463-I467 WeakPolarHBondContact O-CG1 3.37Å; V463-I467 PolarHBondContact O-N 2.93Å; V463-V534 HydrophobicContact CB-CG2 4.38Å; V463-V534 HydrophobicContact CG1-CG2 3.83Å |
| 464 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 177.3 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | W451 D460 L461 A462 I467 A468 I525 V534 | W451-T464 VanDerWaalsContact NE1-CB 3.28Å; W451-T464 PolarHBondContact NE1-OG1 3.17Å; D460-T464 WeakPolarHBondContact O-CG2 3.46Å; D460-T464 PolarHBondContact O-N 3.15Å; D460-T464 PolarHBondContact O-OG1 3.44Å; L461-T464 WeakPolarHBondContact CA-OG1 3.45Å; L461-T464 PolarHBondContact O-N 2.6Å; L461-T464 PolarHBondContact O-OG1 3.01Å; A462-T464 PolarHBondContact O-N 3.32Å; T464-I467 PolarHBondContact O-N 2.98Å; T464-A468 WeakPolarHBondContact O-CB 3.43Å; T464-A468 PolarHBondContact O-N 3.5Å; T464-I525 HydrophobicContact CG2-CD1 4.31Å; T464-I525 HydrophobicContact CG2-CG1 4.26Å; T464-I525 HydrophobicContact CG2-CG2 4.43Å; T464-V534 HydrophobicContact CG2-CG2 3.94Å |
| 465 | D | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 172.6 | -75.5 | -10.3 | 0 | 0 | 0 | 110.3 | L461 A462 A468 A469 I494 R509 | L461-D465 PolarHBondContact O-N 2.73Å; A462-D465 PolarHBondContact O-N 3.46Å; D465-A468 PolarHBondContact O-N 2.98Å; D465-A469 WeakPolarHBondContact O-CB 3.3Å; D465-A469 PolarHBondContact O-N 3.16Å; D465-I494 HydrophobicContact CB-CD1 4.14Å; D465-I494 HydrophobicContact CB-CG1 4.27Å; D465-I494 WeakPolarHBondContact OD1-CD1 3.4Å; D465-R509 VanDerWaalsContact OD1-CG 3.24Å; D465-R509 WeakPolarHBondContact OD1-CG 3.46Å; D465-R509 IonicContact OD1-CZ 2.94Å; D465-R509 IonicContact OD1-NE 3.85Å; D465-R509 PolarHBondContact OD1-NE 3Å; D465-R509 IonicContact OD1-NH2 2.62Å; D465-R509 IonicContact OD2-CZ 3.53Å; D465-R509 IonicContact OD2-NE 2.76Å; D465-R509 PolarHBondContact OD2-NE 3.07Å; D465-R509 VanDerWaalsContact OD2-NE 3.16Å; D465-R509 IonicContact OD2-NH2 3.07Å; D465-R509 PolarHBondContact OD2-NH2 3.06Å |
| 466 | D | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 43 Ų | 43 | 52% | 0.519 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 177.4 | -79.8 | -14.6 | 0 | 0 | 0 | 112.6 | A462 V463 A469 K470 | A462-D466 PolarHBondContact O-N 3.18Å; V463-D466 PolarHBondContact O-N 3.45Å; D466-A469 PolarHBondContact O-N 2.93Å; D466-K470 WeakPolarHBondContact O-CG 3.47Å; D466-K470 PolarHBondContact O-N 3.5Å; D466-K470 VanDerWaalsContact O-N 3.09Å |
| 467 | I | 98.8 | Very high | 98 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 174.6 | -72.3 | 164.8 | 0 | 0 | 0 | 109.9 | V463 T464 A469 K470 V471 A524 I525 A528 | V463-I467 HydrophobicContact CG1-CD1 3.89Å; V463-I467 VanDerWaalsContact O-CG1 3.28Å; V463-I467 WeakPolarHBondContact O-CG1 3.37Å; V463-I467 PolarHBondContact O-N 2.93Å; T464-I467 PolarHBondContact O-N 2.98Å; I467-A469 PolarHBondContact O-N 3.48Å; I467-K470 PolarHBondContact O-N 2.89Å; I467-V471 HydrophobicContact CG2-CG2 4.44Å; I467-V471 WeakPolarHBondContact O-CG2 3.31Å; I467-V471 PolarHBondContact O-N 3.17Å; I467-A524 HydrophobicContact CG2-CB 3.55Å; I467-I525 HydrophobicContact CG2-CG1 4.2Å; I467-A528 HydrophobicContact CD1-CB 3.5Å |
| 468 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | W451 T464 D465 K470 V471 L472 I494 L511 I521 | W451-A468 HydrophobicContact CH2-CB 3.75Å; W451-A468 HydrophobicContact CZ2-CB 4.37Å; W451-A468 HydrophobicContact CZ3-CB 4.45Å; T464-A468 WeakPolarHBondContact O-CB 3.43Å; T464-A468 PolarHBondContact O-N 3.5Å; D465-A468 PolarHBondContact O-N 2.98Å; A468-K470 PolarHBondContact O-N 3.31Å; A468-V471 PolarHBondContact O-N 3.33Å; A468-L472 VanDerWaalsContact O-CG 3.27Å; A468-L472 WeakPolarHBondContact O-CG 3.24Å; A468-L472 PolarHBondContact O-N 3.22Å; A468-I494 HydrophobicContact CB-CG1 4.28Å; A468-L511 HydrophobicContact CB-CD2 3.97Å; A468-I521 HydrophobicContact CB-CD1 4.39Å; A468-I521 HydrophobicContact CB-CG2 4.28Å |
| 469 | A | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.9 | -48.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D465 D466 I467 L472 E473 I494 R495 | D465-A469 WeakPolarHBondContact O-CB 3.3Å; D465-A469 PolarHBondContact O-N 3.16Å; D466-A469 PolarHBondContact O-N 2.93Å; I467-A469 PolarHBondContact O-N 3.48Å; A469-L472 PolarHBondContact O-N 3.09Å; A469-E473 VanDerWaalsContact O-CG 3.31Å; A469-E473 WeakPolarHBondContact O-CG 3.33Å; A469-E473 PolarHBondContact O-N 2.57Å; A469-I494 HydrophobicContact CB-CG2 3.79Å; A469-R495 HydrophobicContact CB-CG 4.48Å |
| 470 | K | 98.4 | Very high | 97.1 | Very high | 127 Ų | 127 | 42.2 Ų | 42.2 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.1 | -47.2 | 179.8 | -72.3 | 172 | -177.3 | 174.5 | 0 | 112.2 | D466 I467 A468 L472 E473 E474 | D466-K470 WeakPolarHBondContact O-CG 3.47Å; D466-K470 PolarHBondContact O-N 3.5Å; D466-K470 VanDerWaalsContact O-N 3.09Å; I467-K470 PolarHBondContact O-N 2.89Å; A468-K470 PolarHBondContact O-N 3.31Å; K470-L472 VanDerWaalsContact C-N 3.31Å; K470-L472 PolarHBondContact O-N 2.99Å; K470-E473 PolarHBondContact O-N 3.01Å; K470-E474 WeakPolarHBondContact O-CG 3.46Å; K470-E474 PolarHBondContact O-N 2.82Å |
| 471 | V | 98.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 178.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | I467 A468 E474 I475 C520 I521 A524 | I467-V471 HydrophobicContact CG2-CG2 4.44Å; I467-V471 WeakPolarHBondContact O-CG2 3.31Å; I467-V471 PolarHBondContact O-N 3.17Å; A468-V471 PolarHBondContact O-N 3.33Å; V471-E474 PolarHBondContact O-N 2.94Å; V471-I475 HydrophobicContact CG1-CD1 3.81Å; V471-I475 VanDerWaalsContact O-CG1 3.3Å; V471-I475 WeakPolarHBondContact O-CG1 3.39Å; V471-I475 PolarHBondContact O-N 3.07Å; V471-I475 VanDerWaalsContact O-N 3.11Å; V471-C520 HydrophobicContact CG1-CB 3.51Å; V471-I521 HydrophobicContact CB-CG1 4.02Å; V471-I521 HydrophobicContact CG1-CG1 3.7Å; V471-A524 HydrophobicContact CG2-CB 3.98Å |
| 472 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 178.7 | -66.7 | -169 | 0 | 0 | 0 | 112.2 | A468 A469 K470 I475 A476 Y487 N490 I491 L511 I521 | A468-L472 VanDerWaalsContact O-CG 3.27Å; A468-L472 WeakPolarHBondContact O-CG 3.24Å; A468-L472 PolarHBondContact O-N 3.22Å; A469-L472 PolarHBondContact O-N 3.09Å; K470-L472 VanDerWaalsContact C-N 3.31Å; K470-L472 PolarHBondContact O-N 2.99Å; L472-I475 PolarHBondContact O-N 3.2Å; L472-A476 WeakPolarHBondContact O-CB 3.08Å; L472-A476 PolarHBondContact O-N 3.24Å; L472-Y487 HydrophobicContact CB-CD1 4.36Å; L472-Y487 HydrophobicContact CD2-CD1 3.68Å; L472-Y487 HydrophobicContact CD2-CE1 3.56Å; L472-Y487 HydrophobicContact CG-CD1 4.42Å; L472-N490 HydrophobicContact CD1-CB 4.07Å; L472-I491 HydrophobicContact CB-CD1 4.03Å; L472-I491 HydrophobicContact CB-CG1 3.59Å; L472-I491 HydrophobicContact CD1-CG1 4.24Å; L472-L511 HydrophobicContact CD1-CD1 4.4Å; L472-L511 HydrophobicContact CD1-CD2 4.05Å; L472-I521 HydrophobicContact CD2-CD1 3.78Å; L472-I521 HydrophobicContact CG-CD1 4.22Å |
| 473 | E | 97.9 | Very high | 95.9 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.4 | -76.9 | 170.4 | 175.9 | 0 | 0 | 112.6 | A469 K470 A476 A477 I491 R495 | A469-E473 VanDerWaalsContact O-CG 3.31Å; A469-E473 WeakPolarHBondContact O-CG 3.33Å; A469-E473 PolarHBondContact O-N 2.57Å; K470-E473 PolarHBondContact O-N 3.01Å; E473-A476 PolarHBondContact O-N 2.88Å; E473-A477 PolarHBondContact O-N 3.05Å; E473-I491 HydrophobicContact CG-CD1 3.81Å; E473-I491 HydrophobicContact CG-CG1 4.2Å; E473-I491 HydrophobicContact CG-CG2 4.09Å; E473-I491 WeakPolarHBondContact OE1-CG2 3.36Å; E473-R495 IonicContact OE1-CZ 3.53Å; E473-R495 IonicContact OE1-NE 2.8Å; E473-R495 PolarHBondContact OE1-NE 3.32Å; E473-R495 IonicContact OE1-NH2 3.2Å; E473-R495 PolarHBondContact OE1-NH2 2.9Å; E473-R495 IonicContact OE2-NH2 3.44Å; E473-R495 PolarHBondContact OE2-NH2 2.87Å |
| 474 | E | 97.4 | Very high | 95.7 | Very high | 137 Ų | 137 | 50.5 Ų | 50.5 | 64% | 0.64 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 176.1 | -72 | 172.7 | -171.4 | 0 | 0 | 111.8 | K470 V471 | K470-E474 WeakPolarHBondContact O-CG 3.46Å; K470-E474 PolarHBondContact O-N 2.82Å; V471-E474 PolarHBondContact O-N 2.94Å |
| 475 | I | 96.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.087 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69 | -43.4 | 178.5 | -64.5 | 168.3 | 0 | 0 | 0 | 110.9 | V471 L472 A477 N478 V479 Y487 K516 C520 | V471-I475 HydrophobicContact CG1-CD1 3.81Å; V471-I475 VanDerWaalsContact O-CG1 3.3Å; V471-I475 WeakPolarHBondContact O-CG1 3.39Å; V471-I475 PolarHBondContact O-N 3.07Å; V471-I475 VanDerWaalsContact O-N 3.11Å; L472-I475 PolarHBondContact O-N 3.2Å; I475-A477 PolarHBondContact O-N 3.21Å; I475-A477 VanDerWaalsContact O-N 3.08Å; I475-N478 PolarHBondContact O-N 3.2Å; I475-N478 VanDerWaalsContact O-N 3.1Å; I475-V479 HydrophobicContact CG2-CG1 4.12Å; I475-Y487 HydrophobicContact CG2-CD2 4.4Å; I475-Y487 HydrophobicContact CG2-CE1 4.4Å; I475-Y487 HydrophobicContact CG2-CE2 3.59Å; I475-Y487 WeakPolarHBondContact CG2-OH 3.17Å; I475-K516 HydrophobicContact CD1-CG 4.37Å; I475-C520 HydrophobicContact CD1-CB 4.07Å |
| 476 | A | 96.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -24.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L472 E473 N478 R484 Y487 I491 | L472-A476 WeakPolarHBondContact O-CB 3.08Å; L472-A476 PolarHBondContact O-N 3.24Å; E473-A476 PolarHBondContact O-N 2.88Å; A476-N478 VanDerWaalsContact C-N 3.3Å; A476-N478 PolarHBondContact O-N 3.04Å; A476-R484 HydrophobicContact CB-CG 4.49Å; A476-R484 PolarHBondContact O-NE 2.85Å; A476-Y487 HydrophobicContact CB-CD2 4.43Å; A476-Y487 HydrophobicContact CB-CG 4.32Å; A476-I491 HydrophobicContact CB-CD1 4.2Å |
| 477 | A | 94.1 | Very high | 95 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E473 I475 | E473-A477 PolarHBondContact O-N 3.05Å; I475-A477 PolarHBondContact O-N 3.21Å; I475-A477 VanDerWaalsContact O-N 3.08Å |
| 478 | N | 91.1 | Very high | 94.9 | Very high | 147 Ų | 147 | 52.3 Ų | 52.3 | 79% | 0.786 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 28.9 | -167.2 | -63.8 | -54.1 | 0 | 0 | 0 | 113.8 | I475 A476 | I475-N478 PolarHBondContact O-N 3.2Å; I475-N478 VanDerWaalsContact O-N 3.1Å; A476-N478 VanDerWaalsContact C-N 3.3Å; A476-N478 PolarHBondContact O-N 3.04Å |
| 479 | V | 93.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -125 | 164.9 | -179.2 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | I475 V483 R484 Y487 | I475-V479 HydrophobicContact CG2-CG1 4.12Å; V479-V483 HydrophobicContact CB-CB 4.09Å; V479-V483 HydrophobicContact CB-CG1 3.77Å; V479-V483 HydrophobicContact CG1-CG1 4.08Å; V479-V483 HydrophobicContact CG2-CB 4.17Å; V479-V483 HydrophobicContact CG2-CG1 3.81Å; V479-R484 HydrophobicContact CG2-CB 4.01Å; V479-R484 PolarHBondContact O-NH2 3.34Å; V479-Y487 HydrophobicContact CG1-CE2 4.46Å; V479-Y487 HydrophobicContact CG2-CD2 4.13Å; V479-Y487 HydrophobicContact CG2-CE2 4.38Å |
| 480 | S | 90.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | trans | -62.8 | 156.5 | 176.1 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | R482 V483 R484 | S480-R482 VanDerWaalsContact C-N 3.26Å; S480-R482 PolarHBondContact O-N 2.86Å; S480-V483 PolarHBondContact O-N 3.28Å; S480-V483 VanDerWaalsContact O-N 3.11Å; S480-R484 WeakPolarHBondContact O-CB 3.4Å; S480-R484 PolarHBondContact O-N 3.46Å | ||
| 481 | E | 90.8 | Very high | 94.3 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.7 | -38.3 | -177.2 | -172.9 | 60.1 | -160.3 | 0 | 0 | 112.7 | V483 R484 Q485 R488 | E481-V483 PolarHBondContact O-N 3.39Å; E481-R484 WeakPolarHBondContact O-CB 3.4Å; E481-R484 PolarHBondContact O-N 3Å; E481-R484 IonicContact OE2-CZ 2.93Å; E481-R484 IonicContact OE2-NE 3.18Å; E481-R484 IonicContact OE2-NH1 3.78Å; E481-R484 PolarHBondContact OE2-NH1 3.25Å; E481-Q485 PolarHBondContact O-N 3.26Å; E481-R488 IonicContact OE1-CZ 3.91Å; E481-R488 IonicContact OE1-NH1 3.38Å; E481-R488 PolarHBondContact OE1-NH1 2.54Å; E481-R488 IonicContact OE1-NH2 2.75Å |
| 482 | R | 87.4 | Confident | 94 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.5 | -169.2 | 175.5 | 71.7 | -146.2 | -4.5 | 112.4 | L444 S480 N640 E643 | L444-R482 HydrophobicContact CD1-CG 4.08Å; L444-R482 VanDerWaalsContact CD2-NH2 3.3Å; S480-R482 VanDerWaalsContact C-N 3.26Å; S480-R482 PolarHBondContact O-N 2.86Å; R482-N640 PolarHBondContact NE-OD1 2.98Å; R482-N640 PolarHBondContact NH1-OD1 3.04Å; R482-N640 PolarHBondContact NH2-OD1 2.82Å; R482-E643 IonicContact CZ-OE2 3.62Å; R482-E643 IonicContact NH1-OE2 2.88Å; R482-E643 PolarHBondContact NH1-OE2 2.83Å; R482-E643 IonicContact NH2-OE2 2.9Å; R482-E643 PolarHBondContact NH2-OE2 3.3Å |
| 483 | V | 92.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74 | -40.6 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | L444 F446 V479 S480 E481 Q485 Q486 Y487 | L444-V483 HydrophobicContact CD2-CG2 4.49Å; F446-V483 HydrophobicContact CE2-CG1 3.9Å; F446-V483 HydrophobicContact CZ-CG1 3.9Å; V479-V483 HydrophobicContact CB-CB 4.09Å; V479-V483 HydrophobicContact CB-CG1 3.77Å; V479-V483 HydrophobicContact CG1-CG1 4.08Å; V479-V483 HydrophobicContact CG2-CB 4.17Å; V479-V483 HydrophobicContact CG2-CG1 3.81Å; S480-V483 PolarHBondContact O-N 3.28Å; S480-V483 VanDerWaalsContact O-N 3.11Å; E481-V483 PolarHBondContact O-N 3.39Å; V483-Q485 VanDerWaalsContact C-N 3.28Å; V483-Q485 PolarHBondContact O-N 3.07Å; V483-Q486 PolarHBondContact O-N 3.2Å; V483-Q486 VanDerWaalsContact O-N 3.11Å; V483-Y487 HydrophobicContact CG1-CD2 3.78Å; V483-Y487 HydrophobicContact CG1-CE2 3.48Å; V483-Y487 VanDerWaalsContact CG1-CE2 3.48Å; V483-Y487 WeakPolarHBondContact O-CD2 3.28Å; V483-Y487 PolarHBondContact O-N 2.91Å; V483-Y487 VanDerWaalsContact O-N 3.09Å |
| 484 | R | 95.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 26% | 0.264 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 176.7 | -169.5 | -178.2 | -60.8 | 148.7 | -2.6 | 112 | A476 V479 S480 E481 Q486 Y487 R488 | A476-R484 HydrophobicContact CB-CG 4.49Å; A476-R484 PolarHBondContact O-NE 2.85Å; V479-R484 HydrophobicContact CG2-CB 4.01Å; V479-R484 PolarHBondContact O-NH2 3.34Å; S480-R484 WeakPolarHBondContact O-CB 3.4Å; S480-R484 PolarHBondContact O-N 3.46Å; E481-R484 WeakPolarHBondContact O-CB 3.4Å; E481-R484 PolarHBondContact O-N 3Å; E481-R484 IonicContact OE2-CZ 2.93Å; E481-R484 IonicContact OE2-NE 3.18Å; E481-R484 IonicContact OE2-NH1 3.78Å; E481-R484 PolarHBondContact OE2-NH1 3.25Å; R484-Q486 VanDerWaalsContact C-N 3.34Å; R484-Q486 PolarHBondContact O-N 3.05Å; R484-Y487 PolarHBondContact O-N 3.3Å; R484-R488 WeakPolarHBondContact O-CG 3.45Å; R484-R488 PolarHBondContact O-N 3.06Å |
| 485 | Q | 92.5 | Very high | 93.4 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 19% | 0.187 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.9 | -176.5 | 58.5 | 44.8 | 0 | 0 | 111.7 | E481 V483 Y487 R488 D489 | E481-Q485 PolarHBondContact O-N 3.26Å; V483-Q485 VanDerWaalsContact C-N 3.28Å; V483-Q485 PolarHBondContact O-N 3.07Å; Q485-Y487 VanDerWaalsContact C-N 3.34Å; Q485-Y487 PolarHBondContact O-N 3.1Å; Q485-R488 PolarHBondContact O-N 2.88Å; Q485-D489 PolarHBondContact NE2-OD1 3.31Å; Q485-D489 PolarHBondContact O-N 2.96Å; Q485-D489 VanDerWaalsContact O-N 3.09Å |
| 486 | Q | 93.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 177.6 | -58.1 | -52.4 | -49 | 0 | 0 | 111.3 | L444 F446 V483 R484 D489 N490 | L444-Q486 HydrophobicContact CD1-CG 4.42Å; F446-Q486 HydrophobicContact CD1-CB 3.8Å; F446-Q486 HydrophobicContact CD2-CB 4.2Å; F446-Q486 HydrophobicContact CD2-CG 4.37Å; F446-Q486 HydrophobicContact CE1-CB 3.55Å; F446-Q486 HydrophobicContact CE2-CB 3.98Å; F446-Q486 HydrophobicContact CE2-CG 4.38Å; F446-Q486 HydrophobicContact CG-CB 4.11Å; F446-Q486 HydrophobicContact CZ-CB 3.65Å; V483-Q486 PolarHBondContact O-N 3.2Å; V483-Q486 VanDerWaalsContact O-N 3.11Å; R484-Q486 VanDerWaalsContact C-N 3.34Å; R484-Q486 PolarHBondContact O-N 3.05Å; Q486-D489 PolarHBondContact O-N 3.39Å; Q486-N490 PolarHBondContact O-N 3.07Å; Q486-N490 PolarHBondContact O-ND2 2.91Å |
| 487 | Y | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.3 | -76.3 | -58.7 | 0 | 0 | 0 | 112.9 | F446 L472 I475 A476 V479 V483 R484 Q485 D489 N490 I491 D514 | F446-Y487 AromaticContact CE1-CD1 3.92Å; F446-Y487 HydrophobicContact CE1-CD1 3.92Å; F446-Y487 HydrophobicContact CE1-CD2 4.4Å; F446-Y487 AromaticContact CE1-CE1 3.83Å; F446-Y487 HydrophobicContact CE1-CE1 3.83Å; F446-Y487 HydrophobicContact CE1-CE2 4.31Å; F446-Y487 HydrophobicContact CE1-CG 4.22Å; F446-Y487 HydrophobicContact CZ-CD1 4.2Å; F446-Y487 AromaticContact CZ-CD2 3.89Å; F446-Y487 HydrophobicContact CZ-CD2 3.89Å; F446-Y487 AromaticContact CZ-CE1 3.98Å; F446-Y487 HydrophobicContact CZ-CE1 3.98Å; F446-Y487 AromaticContact CZ-CE2 3.65Å; F446-Y487 HydrophobicContact CZ-CE2 3.65Å; F446-Y487 HydrophobicContact CZ-CG 4.17Å; F446-Y487 AromaticContact CZ-CZ 3.71Å; L472-Y487 HydrophobicContact CB-CD1 4.36Å; L472-Y487 HydrophobicContact CD2-CD1 3.68Å; L472-Y487 HydrophobicContact CD2-CE1 3.56Å; L472-Y487 HydrophobicContact CG-CD1 4.42Å; I475-Y487 HydrophobicContact CG2-CD2 4.4Å; I475-Y487 HydrophobicContact CG2-CE1 4.4Å; I475-Y487 HydrophobicContact CG2-CE2 3.59Å; I475-Y487 WeakPolarHBondContact CG2-OH 3.17Å; A476-Y487 HydrophobicContact CB-CD2 4.43Å; A476-Y487 HydrophobicContact CB-CG 4.32Å; V479-Y487 HydrophobicContact CG1-CE2 4.46Å; V479-Y487 HydrophobicContact CG2-CD2 4.13Å; V479-Y487 HydrophobicContact CG2-CE2 4.38Å; V483-Y487 HydrophobicContact CG1-CD2 3.78Å; V483-Y487 HydrophobicContact CG1-CE2 3.48Å; V483-Y487 VanDerWaalsContact CG1-CE2 3.48Å; V483-Y487 WeakPolarHBondContact O-CD2 3.28Å; V483-Y487 PolarHBondContact O-N 2.91Å; V483-Y487 VanDerWaalsContact O-N 3.09Å; R484-Y487 PolarHBondContact O-N 3.3Å; Q485-Y487 VanDerWaalsContact C-N 3.34Å; Q485-Y487 PolarHBondContact O-N 3.1Å; Y487-D489 VanDerWaalsContact C-N 3.32Å; Y487-D489 PolarHBondContact O-N 3.46Å; Y487-N490 CarbonylContact O-C 3.56Å; Y487-N490 PolarHBondContact O-N 3.23Å; Y487-N490 VanDerWaalsContact O-N 3.13Å; Y487-I491 WeakPolarHBondContact O-CB 3.37Å; Y487-I491 WeakPolarHBondContact O-CD1 3.48Å; Y487-I491 WeakPolarHBondContact O-CG1 3.4Å; Y487-I491 PolarHBondContact O-N 3.38Å; Y487-D514 PolarHBondContact OH-OD1 3.04Å; Y487-D514 PolarHBondContact OH-OD2 2.88Å |
| 488 | R | 94.7 | Very high | 92.8 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 43% | 0.434 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -44.7 | 177.7 | -78.3 | 175.5 | -179.8 | 155.1 | 3.2 | 112.2 | E481 R484 Q485 N490 I491 R492 | E481-R488 IonicContact OE1-CZ 3.91Å; E481-R488 IonicContact OE1-NH1 3.38Å; E481-R488 PolarHBondContact OE1-NH1 2.54Å; E481-R488 IonicContact OE1-NH2 2.75Å; R484-R488 WeakPolarHBondContact O-CG 3.45Å; R484-R488 PolarHBondContact O-N 3.06Å; Q485-R488 PolarHBondContact O-N 2.88Å; R488-N490 VanDerWaalsContact C-N 3.29Å; R488-N490 PolarHBondContact O-N 2.93Å; R488-I491 PolarHBondContact O-N 2.86Å; R488-R492 WeakPolarHBondContact O-CB 3.36Å; R488-R492 PolarHBondContact O-N 3.32Å |
| 489 | D | 92.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 178.5 | -66.6 | -14.9 | 0 | 0 | 0 | 111.3 | L224 R231 Q485 Q486 Y487 W493 | L224-D489 HydrophobicContact CD2-CB 3.53Å; R231-D489 IonicContact CZ-OD2 2.74Å; R231-D489 IonicContact NH1-OD1 2.74Å; R231-D489 IonicContact NH1-OD2 3.05Å; R231-D489 IonicContact NH2-OD1 3.68Å; R231-D489 IonicContact NH2-OD2 3.68Å; R231-D489 PolarHBondContact NH2-OD2 3.19Å; Q485-D489 PolarHBondContact NE2-OD1 3.31Å; Q485-D489 PolarHBondContact O-N 2.96Å; Q485-D489 VanDerWaalsContact O-N 3.09Å; Q486-D489 PolarHBondContact O-N 3.39Å; Y487-D489 VanDerWaalsContact C-N 3.32Å; Y487-D489 PolarHBondContact O-N 3.46Å; D489-W493 PolarHBondContact O-N 3.27Å |
| 490 | N | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.2 | -32.5 | 179 | -73.9 | -72.2 | 0 | 0 | 0 | 113.8 | H220 L472 Q486 Y487 R488 W493 I494 Y512 | H220-N490 PolarHBondContact CE1-OD1 3Å; H220-N490 VanDerWaalsContact CE1-OD1 3.23Å; H220-N490 PolarHBondContact NE2-OD1 3.32Å; L472-N490 HydrophobicContact CD1-CB 4.07Å; Q486-N490 PolarHBondContact O-N 3.07Å; Q486-N490 PolarHBondContact O-ND2 2.91Å; Y487-N490 CarbonylContact O-C 3.56Å; Y487-N490 PolarHBondContact O-N 3.23Å; Y487-N490 VanDerWaalsContact O-N 3.13Å; R488-N490 VanDerWaalsContact C-N 3.29Å; R488-N490 PolarHBondContact O-N 2.93Å; N490-W493 PolarHBondContact O-N 3.29Å; N490-I494 WeakPolarHBondContact O-CG2 3.48Å; N490-I494 PolarHBondContact O-N 2.89Å; N490-Y512 PolarHBondContact ND2-O 3.44Å; N490-Y512 WeakPolarHBondContact OD1-CA 3.41Å; N490-Y512 WeakPolarHBondContact OD1-CB 3.48Å; N490-Y512 PolarHBondContact OD1-N 3.09Å; N490-Y512 PolarHBondContact OD1-O 3.19Å |
| 491 | I | 95.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 171.7 | -70 | 159.8 | 0 | 0 | 0 | 109.9 | L472 E473 A476 Y487 R488 W493 I494 R495 | L472-I491 HydrophobicContact CB-CD1 4.03Å; L472-I491 HydrophobicContact CB-CG1 3.59Å; L472-I491 HydrophobicContact CD1-CG1 4.24Å; E473-I491 HydrophobicContact CG-CD1 3.81Å; E473-I491 HydrophobicContact CG-CG1 4.2Å; E473-I491 HydrophobicContact CG-CG2 4.09Å; E473-I491 WeakPolarHBondContact OE1-CG2 3.36Å; A476-I491 HydrophobicContact CB-CD1 4.2Å; Y487-I491 WeakPolarHBondContact O-CB 3.37Å; Y487-I491 WeakPolarHBondContact O-CD1 3.48Å; Y487-I491 WeakPolarHBondContact O-CG1 3.4Å; Y487-I491 PolarHBondContact O-N 3.38Å; R488-I491 PolarHBondContact O-N 2.86Å; I491-W493 VanDerWaalsContact C-N 3.33Å; I491-W493 PolarHBondContact O-N 3.49Å; I491-I494 WeakPolarHBondContact O-CG2 3.48Å; I491-I494 PolarHBondContact O-N 2.97Å; I491-R495 WeakPolarHBondContact O-CB 3.38Å; I491-R495 VanDerWaalsContact O-CG 3.3Å; I491-R495 WeakPolarHBondContact O-CG 3.34Å; I491-R495 PolarHBondContact O-N 3.29Å; I491-R495 VanDerWaalsContact O-N 3.14Å |
| 492 | R | 92.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 39% | 0.389 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 174.4 | 179.8 | 178.3 | 175 | -166.1 | -7 | 110.5 | I262 R488 E496 | I262-R492 PolarHBondContact O-NH2 3.4Å; R488-R492 WeakPolarHBondContact O-CB 3.36Å; R488-R492 PolarHBondContact O-N 3.32Å; R492-E496 IonicContact NE-OE1 2.81Å; R492-E496 IonicContact NE-OE2 2.68Å; R492-E496 WeakPolarHBondContact O-CG 3.48Å; R492-E496 PolarHBondContact O-N 2.87Å |
| 493 | W | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.5 | -55 | 177 | 166.3 | -107.1 | 0 | 0 | 0 | 112.6 | V219 H220 M223 I262 D489 N490 I491 R495 E496 A497 M502 I510 | V219-W493 HydrophobicContact CB-CH2 4.21Å; V219-W493 HydrophobicContact CG1-CH2 4.06Å; V219-W493 HydrophobicContact CG1-CZ3 3.94Å; H220-W493 HydrophobicContact CB-CD2 4.14Å; H220-W493 HydrophobicContact CB-CE3 4.46Å; H220-W493 HydrophobicContact CB-CH2 3.92Å; H220-W493 HydrophobicContact CB-CZ2 3.64Å; H220-W493 HydrophobicContact CB-CZ3 4.35Å; H220-W493 AromaticContact CD2-CD1 3.44Å; H220-W493 VanDerWaalsContact CD2-CD1 3.44Å; H220-W493 AromaticContact CD2-CD2 3.56Å; H220-W493 AromaticContact CD2-CE2 3.75Å; H220-W493 AromaticContact CD2-CG 3.36Å; H220-W493 AromaticContact CD2-NE1 3.65Å; H220-W493 AromaticContact CG-CE2 3.96Å; H220-W493 AromaticContact CG-NE1 3.96Å; H220-W493 AromaticContact NE2-CD1 3.97Å; M223-W493 HydrophobicContact CE-CB 3.76Å; M223-W493 HydrophobicContact CE-CD2 4.34Å; M223-W493 HydrophobicContact CE-CE3 3.93Å; M223-W493 HydrophobicContact CE-CG 4.3Å; I262-W493 HydrophobicContact CD1-CZ3 4.12Å; D489-W493 PolarHBondContact O-N 3.27Å; N490-W493 PolarHBondContact O-N 3.29Å; I491-W493 VanDerWaalsContact C-N 3.33Å; I491-W493 PolarHBondContact O-N 3.49Å; W493-R495 VanDerWaalsContact C-N 3.26Å; W493-R495 PolarHBondContact O-N 3.21Å; W493-E496 PolarHBondContact O-N 3.2Å; W493-A497 HydrophobicContact CD2-CB 4.3Å; W493-A497 HydrophobicContact CZ2-CB 4.11Å; W493-A497 WeakPolarHBondContact O-CB 3.41Å; W493-A497 PolarHBondContact O-N 3.33Å; W493-M502 HydrophobicContact CH2-CE 3.14Å; W493-M502 HydrophobicContact CH2-SD 4.01Å; W493-M502 HydrophobicContact CZ2-CE 3.88Å; W493-M502 HydrophobicContact CZ3-CE 3.68Å; W493-M502 HydrophobicContact CZ3-SD 4.47Å; W493-I510 PolarHBondContact NE1-O 3.27Å |
| 494 | I | 94.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -32.6 | -172.4 | -165.4 | 61.1 | 0 | 0 | 0 | 111.9 | W451 D465 A468 A469 N490 I491 E496 R509 L511 | W451-I494 HydrophobicContact CH2-CD1 3.84Å; W451-I494 HydrophobicContact CZ2-CD1 4.33Å; D465-I494 HydrophobicContact CB-CD1 4.14Å; D465-I494 HydrophobicContact CB-CG1 4.27Å; D465-I494 WeakPolarHBondContact OD1-CD1 3.4Å; A468-I494 HydrophobicContact CB-CG1 4.28Å; A469-I494 HydrophobicContact CB-CG2 3.79Å; N490-I494 WeakPolarHBondContact O-CG2 3.48Å; N490-I494 PolarHBondContact O-N 2.89Å; I491-I494 WeakPolarHBondContact O-CG2 3.48Å; I491-I494 PolarHBondContact O-N 2.97Å; I494-E496 VanDerWaalsContact C-N 3.31Å; I494-E496 PolarHBondContact O-N 3.16Å; I494-R509 HydrophobicContact CD1-CG 3.43Å; I494-R509 VanDerWaalsContact CD1-CG 3.43Å; I494-L511 HydrophobicContact CB-CD2 4.43Å; I494-L511 HydrophobicContact CD1-CD2 4.2Å; I494-L511 HydrophobicContact CG1-CD2 4.28Å |
| 495 | R | 93.7 | Very high | 92.4 | Very high | 136 Ų | 136 | 50.3 Ų | 50.3 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.9 | -21.5 | 175.4 | -71.2 | -178.3 | 168.1 | -77.5 | 3.3 | 113.8 | A469 E473 I491 W493 | A469-R495 HydrophobicContact CB-CG 4.48Å; E473-R495 IonicContact OE1-CZ 3.53Å; E473-R495 IonicContact OE1-NE 2.8Å; E473-R495 PolarHBondContact OE1-NE 3.32Å; E473-R495 IonicContact OE1-NH2 3.2Å; E473-R495 PolarHBondContact OE1-NH2 2.9Å; E473-R495 IonicContact OE2-NH2 3.44Å; E473-R495 PolarHBondContact OE2-NH2 2.87Å; I491-R495 WeakPolarHBondContact O-CB 3.38Å; I491-R495 VanDerWaalsContact O-CG 3.3Å; I491-R495 WeakPolarHBondContact O-CG 3.34Å; I491-R495 PolarHBondContact O-N 3.29Å; I491-R495 VanDerWaalsContact O-N 3.14Å; W493-R495 VanDerWaalsContact C-N 3.26Å; W493-R495 PolarHBondContact O-N 3.21Å |
| 496 | E | 90.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -104.1 | -26 | -178.5 | -69.8 | -179.8 | 177.7 | 0 | 0 | 113.1 | R492 W493 I494 G498 K499 H500 | R492-E496 IonicContact NE-OE1 2.81Å; R492-E496 IonicContact NE-OE2 2.68Å; R492-E496 WeakPolarHBondContact O-CG 3.48Å; R492-E496 PolarHBondContact O-N 2.87Å; W493-E496 PolarHBondContact O-N 3.2Å; I494-E496 VanDerWaalsContact C-N 3.31Å; I494-E496 PolarHBondContact O-N 3.16Å; E496-G498 VanDerWaalsContact C-N 3.29Å; E496-G498 PolarHBondContact O-N 2.94Å; E496-G498 VanDerWaalsContact O-N 3.14Å; E496-K499 WeakPolarHBondContact O-CB 3.46Å; E496-K499 PolarHBondContact O-N 3.26Å; E496-H500 PolarHBondContact O-CD2 3.05Å; E496-H500 VanDerWaalsContact O-CD2 3.27Å |
| 497 | A | 91.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.4 | -42 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W493 K499 H500 M502 | W493-A497 HydrophobicContact CD2-CB 4.3Å; W493-A497 HydrophobicContact CZ2-CB 4.11Å; W493-A497 WeakPolarHBondContact O-CB 3.41Å; W493-A497 PolarHBondContact O-N 3.33Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 3.37Å; A497-H500 PolarHBondContact O-N 2.94Å; A497-M502 HydrophobicContact CB-CE 4.38Å |
| 498 | G | 90.8 | Very high | 93 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -60.8 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E496 H500 K501 | E496-G498 VanDerWaalsContact C-N 3.29Å; E496-G498 PolarHBondContact O-N 2.94Å; E496-G498 VanDerWaalsContact O-N 3.14Å; G498-H500 PolarHBondContact O-N 2.99Å; G498-K501 PolarHBondContact O-N 3.33Å |
| 499 | K | 91.3 | Very high | 93.2 | Very high | 161 Ų | 161 | 44.4 Ų | 44.4 | 70% | 0.7 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -67.3 | -26.6 | -179 | -56.7 | 175.1 | -173.2 | 169.4 | 0 | 112.2 | E496 A497 | E496-K499 WeakPolarHBondContact O-CB 3.46Å; E496-K499 PolarHBondContact O-N 3.26Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 3.37Å |
| 500 | H | 87.8 | Confident | 93.4 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -84.2 | -6.1 | -179 | -63.5 | -60.2 | 0 | 0 | 0 | 114.3 | E496 A497 G498 M502 | E496-H500 PolarHBondContact O-CD2 3.05Å; E496-H500 VanDerWaalsContact O-CD2 3.27Å; A497-H500 PolarHBondContact O-N 2.94Å; G498-H500 PolarHBondContact O-N 2.99Å; H500-M502 VanDerWaalsContact C-N 3.29Å; H500-M502 HydrophobicContact CB-CE 3.79Å; H500-M502 HydrophobicContact CB-CG 3.84Å; H500-M502 HydrophobicContact CB-SD 3.96Å; H500-M502 PolarHBondContact O-N 3.44Å |
| 501 | K | 88.8 | Confident | 93.5 | Very high | 185 Ų | 185 | 44.1 Ų | 44.1 | 80% | 0.804 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 44.4 | 175.3 | -58 | -176.1 | 179.6 | -178.1 | 0 | 113.7 | G498 V503 | G498-K501 PolarHBondContact O-N 3.33Å; K501-V503 VanDerWaalsContact C-N 3.35Å |
| 502 | M | 87.6 | Confident | 93.5 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -87.6 | 0.9 | -175.1 | -62.5 | 175 | -64.9 | 0 | 0 | 114.5 | Q216 V219 K258 W285 W493 A497 H500 V504 | Q216-M502 HydrophobicContact CB-CB 3.98Å; V219-M502 HydrophobicContact CB-SD 4.04Å; V219-M502 HydrophobicContact CG1-SD 3.8Å; V219-M502 HydrophobicContact CG2-SD 4.02Å; K258-M502 HydrophobicContact CG-SD 4.49Å; W285-M502 HydrophobicContact CZ2-CG 4.37Å; W493-M502 HydrophobicContact CH2-CE 3.14Å; W493-M502 HydrophobicContact CH2-SD 4.01Å; W493-M502 HydrophobicContact CZ2-CE 3.88Å; W493-M502 HydrophobicContact CZ3-CE 3.68Å; W493-M502 HydrophobicContact CZ3-SD 4.47Å; A497-M502 HydrophobicContact CB-CE 4.38Å; H500-M502 VanDerWaalsContact C-N 3.29Å; H500-M502 HydrophobicContact CB-CE 3.79Å; H500-M502 HydrophobicContact CB-CG 3.84Å; H500-M502 HydrophobicContact CB-SD 3.96Å; H500-M502 PolarHBondContact O-N 3.44Å; M502-V504 PolarHBondContact O-N 3.32Å | ||
| 503 | V | 92.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 26% | 0.255 | 20% | 0.196 | S | C | . | . | trans | -70.4 | 127.6 | -179.9 | 180 | 0 | 0 | 0 | 0 | 109.3 | L461 K501 S506 | L461-V503 HydrophobicContact CD2-CG2 3.69Å; K501-V503 VanDerWaalsContact C-N 3.35Å; V503-S506 WeakPolarHBondContact CG1-O 3.31Å | ||
| 504 | V | 90.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | trans | -135.8 | 130 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | A114 V115 M502 | A114-V504 HydrophobicContact CB-CG1 3.86Å; A114-V504 VanDerWaalsContact O-CG1 3.24Å; A114-V504 WeakPolarHBondContact O-CG1 3.48Å; V115-V504 HydrophobicContact CG2-CG1 4Å; M502-V504 PolarHBondContact O-N 3.32Å | ||
| 505 | G | 94.8 | Very high | 94 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 34% | 0.34 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 76 | -123.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 506 | S | 97.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -64.4 | 150.1 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | N109 V503 A508 | N109-S506 VanDerWaalsContact CG-OG 3.27Å; N109-S506 PolarHBondContact ND2-OG 3.49Å; N109-S506 VanDerWaalsContact OD1-CB 3.25Å; N109-S506 WeakPolarHBondContact OD1-CB 3.44Å; N109-S506 PolarHBondContact OD1-N 3.48Å; N109-S506 PolarHBondContact OD1-OG 3.44Å; V503-S506 WeakPolarHBondContact CG1-O 3.31Å; S506-A508 PolarHBondContact O-N 3.19Å; S506-A508 VanDerWaalsContact O-N 3.07Å |
| 507 | Q | 98.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 101.6 | 174.5 | -63.7 | -57.8 | -31.4 | 0 | 0 | 109.3 | V452 C453 G456 L461 | V452-Q507 CarbonylContact C-O 3.54Å; V452-Q507 WeakPolarHBondContact CA-O 3.38Å; C453-Q507 HydrophobicContact CB-CB 4.16Å; C453-Q507 PolarHBondContact N-O 2.73Å; G456-Q507 WeakPolarHBondContact O-CG 3.47Å; L461-Q507 HydrophobicContact CB-CB 4.29Å; L461-Q507 HydrophobicContact CD2-CB 4.35Å |
| 508 | A | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 153.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I213 Q216 W451 V452 S506 | I213-A508 HydrophobicContact CB-CB 3.61Å; I213-A508 HydrophobicContact CD1-CB 4.05Å; I213-A508 HydrophobicContact CG1-CB 4.17Å; I213-A508 HydrophobicContact CG2-CB 3.65Å; Q216-A508 PolarHBondContact NE2-O 3.04Å; Q216-A508 PolarHBondContact OE1-O 3.23Å; W451-A508 CarbonylContact O-C 3.57Å; W451-A508 WeakPolarHBondContact O-CA 3.26Å; W451-A508 WeakPolarHBondContact O-CB 3.47Å; V452-A508 HydrophobicContact CG2-CB 3.83Å; S506-A508 PolarHBondContact O-N 3.19Å; S506-A508 VanDerWaalsContact O-N 3.07Å |
| 509 | R | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.2 | 175.4 | -174 | 66.4 | 67.6 | -140.5 | 3.7 | 110.9 | Q216 R450 W451 L461 D465 I494 | Q216-R509 VanDerWaalsContact OE1-NH1 3.17Å; R450-R509 CarbonylContact C-O 3.6Å; R450-R509 VanDerWaalsContact CA-O 3.23Å; R450-R509 WeakPolarHBondContact CA-O 3.25Å; R450-R509 WeakPolarHBondContact CB-O 3.41Å; W451-R509 HydrophobicContact CD2-CB 4.03Å; W451-R509 HydrophobicContact CE3-CB 4.34Å; W451-R509 HydrophobicContact CH2-CB 3.8Å; W451-R509 HydrophobicContact CH2-CG 3.43Å; W451-R509 VanDerWaalsContact CH2-CG 3.43Å; W451-R509 HydrophobicContact CZ2-CB 3.42Å; W451-R509 VanDerWaalsContact CZ2-CB 3.42Å; W451-R509 HydrophobicContact CZ2-CG 3.47Å; W451-R509 VanDerWaalsContact CZ2-CG 3.47Å; W451-R509 HydrophobicContact CZ3-CB 4.23Å; W451-R509 HydrophobicContact CZ3-CG 4.05Å; W451-R509 PolarHBondContact N-O 2.84Å; W451-R509 PolarHBondContact O-N 2.75Å; L461-R509 HydrophobicContact CD1-CB 3.9Å; D465-R509 VanDerWaalsContact OD1-CG 3.24Å; D465-R509 WeakPolarHBondContact OD1-CG 3.46Å; D465-R509 IonicContact OD1-CZ 2.94Å; D465-R509 IonicContact OD1-NE 3.85Å; D465-R509 PolarHBondContact OD1-NE 3Å; D465-R509 IonicContact OD1-NH2 2.62Å; D465-R509 IonicContact OD2-CZ 3.53Å; D465-R509 IonicContact OD2-NE 2.76Å; D465-R509 PolarHBondContact OD2-NE 3.07Å; D465-R509 VanDerWaalsContact OD2-NE 3.16Å; D465-R509 IonicContact OD2-NH2 3.07Å; D465-R509 PolarHBondContact OD2-NH2 3.06Å; I494-R509 HydrophobicContact CD1-CG 3.43Å; I494-R509 VanDerWaalsContact CD1-CG 3.43Å |
| 510 | I | 97 | Very high | 95.6 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.6 | 174.4 | -173.4 | 171.2 | 0 | 0 | 0 | 109.7 | I213 Q216 H220 P448 F449 R450 W493 | I213-I510 HydrophobicContact CD1-CB 4.06Å; I213-I510 HydrophobicContact CD1-CG2 4.32Å; Q216-I510 HydrophobicContact CG-CG2 4.3Å; H220-I510 HydrophobicContact CB-CG2 4.3Å; P448-I510 HydrophobicContact CB-CD1 4.1Å; F449-I510 CarbonylContact O-C 3.59Å; F449-I510 WeakPolarHBondContact O-CA 3.45Å; R450-I510 HydrophobicContact CB-CB 4.17Å; R450-I510 HydrophobicContact CB-CG1 4.17Å; W493-I510 PolarHBondContact NE1-O 3.27Å |
| 511 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 177.3 | 165 | 55.5 | 80.6 | 0 | 0 | 0 | 108.5 | F449 W451 A468 L472 I494 I521 | F449-L511 HydrophobicContact CB-CD1 4.22Å; F449-L511 HydrophobicContact CD1-CD1 4.39Å; F449-L511 PolarHBondContact N-O 3.23Å; F449-L511 PolarHBondContact O-N 3.12Å; F449-L511 VanDerWaalsContact O-O 3.14Å; W451-L511 HydrophobicContact CH2-CD2 3.96Å; W451-L511 HydrophobicContact CZ3-CD2 3.9Å; W451-L511 HydrophobicContact CZ3-CG 4.07Å; A468-L511 HydrophobicContact CB-CD2 3.97Å; L472-L511 HydrophobicContact CD1-CD1 4.4Å; L472-L511 HydrophobicContact CD1-CD2 4.05Å; I494-L511 HydrophobicContact CB-CD2 4.43Å; I494-L511 HydrophobicContact CD1-CD2 4.2Å; I494-L511 HydrophobicContact CG1-CD2 4.28Å; L511-I521 HydrophobicContact CD1-CD1 4.24Å |
| 512 | Y | 96.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 18 Ų | 18 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136.4 | 169.8 | -86.9 | 32.6 | 0 | 0 | 0 | 110.8 | H220 L224 M438 I441 F442 G447 P448 N490 H545 | H220-Y512 AromaticContact CE1-CD1 3.3Å; H220-Y512 WeakPolarHBondContact CE1-CD1 3.39Å; H220-Y512 AromaticContact CE1-CG 3.74Å; H220-Y512 PolarHBondContact CE1-N 3.48Å; H220-Y512 AromaticContact ND1-CD1 3.6Å; H220-Y512 AromaticContact ND1-CE1 3.95Å; L224-Y512 HydrophobicContact CD1-CD1 4.47Å; L224-Y512 HydrophobicContact CD1-CD2 4.08Å; L224-Y512 HydrophobicContact CD1-CG 3.98Å; M438-Y512 HydrophobicContact CE-CD2 3.98Å; M438-Y512 HydrophobicContact CE-CE2 3.2Å; I441-Y512 HydrophobicContact CG2-CD2 4.3Å; F442-Y512 HydrophobicContact CE1-CE2 4.11Å; G447-Y512 VanDerWaalsContact CA-CD2 3.5Å; G447-Y512 WeakPolarHBondContact O-CA 3.22Å; P448-Y512 HydrophobicContact CB-CD1 4.29Å; P448-Y512 HydrophobicContact CB-CE1 3.8Å; P448-Y512 HydrophobicContact CG-CE1 4.34Å; N490-Y512 PolarHBondContact ND2-O 3.44Å; N490-Y512 WeakPolarHBondContact OD1-CA 3.41Å; N490-Y512 WeakPolarHBondContact OD1-CB 3.48Å; N490-Y512 PolarHBondContact OD1-N 3.09Å; N490-Y512 PolarHBondContact OD1-O 3.19Å; Y512-H545 PolarHBondContact OH-CD2 2.86Å; Y512-H545 VanDerWaalsContact OH-CD2 3.32Å |
| 513 | S | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 149.7 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | G447 G517 R518 | G447-S513 PolarHBondContact N-O 3.47Å; G447-S513 PolarHBondContact O-N 3.49Å; G447-S513 VanDerWaalsContact O-N 3.09Å; S513-G517 VanDerWaalsContact OG-C 3.24Å; S513-G517 WeakPolarHBondContact OG-CA 3.09Å; S513-R518 PolarHBondContact O-NE 3.05Å; S513-R518 PolarHBondContact O-NH2 2.92Å; S513-R518 PolarHBondContact OG-N 2.82Å |
| 514 | D | 97.3 | Very high | 97.4 | Very high | 21 Ų | 21 | 19 Ų | 19 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | trans | -74.9 | -179.9 | 169.7 | 71.5 | 23.2 | 0 | 0 | 0 | 112.4 | G445 F446 Y487 K516 G517 R518 | G445-D514 WeakPolarHBondContact O-CA 3.16Å; F446-D514 HydrophobicContact CD2-CB 3.82Å; F446-D514 HydrophobicContact CE2-CB 3.75Å; F446-D514 HydrophobicContact CG-CB 4.26Å; F446-D514 HydrophobicContact CZ-CB 4.14Å; Y487-D514 PolarHBondContact OH-OD1 3.04Å; Y487-D514 PolarHBondContact OH-OD2 2.88Å; D514-K516 VanDerWaalsContact C-N 3.33Å; D514-K516 PolarHBondContact O-N 3.47Å; D514-K516 PolarHBondContact OD1-N 3.36Å; D514-G517 PolarHBondContact O-N 3.11Å; D514-G517 PolarHBondContact OD1-N 2.74Å; D514-R518 WeakPolarHBondContact O-CB 3.47Å; D514-R518 VanDerWaalsContact O-CG 3.25Å; D514-R518 WeakPolarHBondContact O-CG 3.44Å; D514-R518 PolarHBondContact O-N 3.43Å | ||
| 515 | Q | 97.1 | Very high | 97.8 | Very high | 25 Ų | 25 | 17 Ų | 17 | 12% | 0.117 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -48.6 | -50.5 | 178.6 | -177.8 | -175.8 | -19.2 | 0 | 0 | 113.2 | R518 V519 N623 V626 S627 | Q515-R518 PolarHBondContact O-N 3.11Å; Q515-V519 WeakPolarHBondContact O-CG2 3.34Å; Q515-V519 PolarHBondContact O-N 3.31Å; Q515-N623 PolarHBondContact NE2-OD1 2.7Å; Q515-V626 HydrophobicContact CB-CB 3.91Å; Q515-V626 HydrophobicContact CB-CG1 3.72Å; Q515-V626 HydrophobicContact CB-CG2 4.37Å; Q515-V626 HydrophobicContact CG-CB 4.37Å; Q515-S627 PolarHBondContact OE1-OG 2.97Å |
| 516 | K | 96.4 | Very high | 98 | Very high | 97 Ų | 97 | 15.8 Ų | 15.8 | 42% | 0.422 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -66.8 | -47.7 | -174.4 | -174.4 | 171.4 | -172.2 | 163.3 | 0 | 110.1 | I475 D514 R518 V519 C520 E651 | I475-K516 HydrophobicContact CD1-CG 4.37Å; D514-K516 VanDerWaalsContact C-N 3.33Å; D514-K516 PolarHBondContact O-N 3.47Å; D514-K516 PolarHBondContact OD1-N 3.36Å; K516-R518 PolarHBondContact O-N 3.2Å; K516-V519 PolarHBondContact O-N 3.46Å; K516-C520 WeakPolarHBondContact O-CB 3.47Å; K516-C520 PolarHBondContact O-N 3.47Å; K516-C520 PolarHBondContact O-SG 3.39Å; K516-E651 IonicContact NZ-OE1 2.69Å |
| 517 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S513 D514 V519 C520 I521 | S513-G517 VanDerWaalsContact OG-C 3.24Å; S513-G517 WeakPolarHBondContact OG-CA 3.09Å; D514-G517 PolarHBondContact O-N 3.11Å; D514-G517 PolarHBondContact OD1-N 2.74Å; G517-V519 PolarHBondContact O-N 2.86Å; G517-C520 PolarHBondContact O-N 2.67Å; G517-I521 WeakPolarHBondContact O-CB 3.45Å; G517-I521 WeakPolarHBondContact O-CD1 3.29Å; G517-I521 WeakPolarHBondContact O-CG1 3.33Å; G517-I521 PolarHBondContact O-N 3.02Å |
| 518 | R | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 175.8 | -69.5 | -174.4 | -161.7 | -164.7 | 5.8 | 111.6 | G447 F449 S513 D514 Q515 K516 A522 D546 L622 D625 | G447-R518 PolarHBondContact O-NH2 2.7Å; F449-R518 HydrophobicContact CB-CG 4.09Å; F449-R518 HydrophobicContact CD2-CB 3.82Å; F449-R518 HydrophobicContact CD2-CG 3.5Å; F449-R518 VanDerWaalsContact CD2-CG 3.5Å; F449-R518 HydrophobicContact CE2-CB 3.91Å; F449-R518 HydrophobicContact CE2-CG 4.13Å; F449-R518 HydrophobicContact CG-CG 3.98Å; S513-R518 PolarHBondContact O-NE 3.05Å; S513-R518 PolarHBondContact O-NH2 2.92Å; S513-R518 PolarHBondContact OG-N 2.82Å; D514-R518 WeakPolarHBondContact O-CB 3.47Å; D514-R518 VanDerWaalsContact O-CG 3.25Å; D514-R518 WeakPolarHBondContact O-CG 3.44Å; D514-R518 PolarHBondContact O-N 3.43Å; Q515-R518 PolarHBondContact O-N 3.11Å; K516-R518 PolarHBondContact O-N 3.2Å; R518-A522 VanDerWaalsContact O-CB 3.29Å; R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.34Å; R518-D546 IonicContact CZ-OD1 2.87Å; R518-D546 IonicContact CZ-OD2 2.92Å; R518-D546 IonicContact NH1-OD1 2.89Å; R518-D546 IonicContact NH1-OD2 2.7Å; R518-D546 PolarHBondContact NH1-OD2 2.88Å; R518-D546 IonicContact NH2-OD1 3.79Å; R518-D546 PolarHBondContact NH2-OD1 3.31Å; R518-D546 IonicContact NH2-OD2 3.36Å; R518-D546 PolarHBondContact NH2-OD2 3.38Å; R518-L622 HydrophobicContact CB-CD1 4.3Å; R518-L622 HydrophobicContact CB-CD2 4.46Å; R518-D625 IonicContact NH1-OD2 3.9Å; R518-D625 PolarHBondContact NH1-OD2 3.16Å |
| 519 | V | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 19.6 Ų | 19.6 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 178.6 | 172 | 0 | 0 | 0 | 0 | 110.7 | Q515 K516 G517 I521 A522 L523 R619 L622 | Q515-V519 WeakPolarHBondContact O-CG2 3.34Å; Q515-V519 PolarHBondContact O-N 3.31Å; K516-V519 PolarHBondContact O-N 3.46Å; G517-V519 PolarHBondContact O-N 2.86Å; V519-I521 PolarHBondContact O-N 3.14Å; V519-A522 PolarHBondContact O-N 2.88Å; V519-L523 HydrophobicContact CG1-CD1 3.72Å; V519-L523 HydrophobicContact CG1-CG 4.31Å; V519-L523 WeakPolarHBondContact O-CB 3.41Å; V519-L523 WeakPolarHBondContact O-CG 3.47Å; V519-L523 PolarHBondContact O-N 3.2Å; V519-R619 HydrophobicContact CG1-CG 4.28Å; V519-L622 HydrophobicContact CG2-CB 3.78Å; V519-L622 HydrophobicContact CG2-CD1 4.48Å |
| 520 | C | 98.6 | Very high | 98.1 | Very high | 47 Ų | 47 | 21.9 Ų | 21.9 | 32% | 0.318 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.3 | -43.3 | -179.2 | -72 | 0 | 0 | 0 | 0 | 112.5 | V471 I475 K516 G517 L523 A524 | V471-C520 HydrophobicContact CG1-CB 3.51Å; I475-C520 HydrophobicContact CD1-CB 4.07Å; K516-C520 WeakPolarHBondContact O-CB 3.47Å; K516-C520 PolarHBondContact O-N 3.47Å; K516-C520 PolarHBondContact O-SG 3.39Å; G517-C520 PolarHBondContact O-N 2.67Å; C520-L523 PolarHBondContact O-N 3.26Å; C520-A524 WeakPolarHBondContact O-CB 3.36Å; C520-A524 PolarHBondContact O-N 2.87Å |
| 521 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 177.1 | -64.6 | 165.7 | 0 | 0 | 0 | 110.3 | F449 A468 V471 L472 L511 G517 V519 L523 A524 I525 | F449-I521 HydrophobicContact CD1-CD1 4.45Å; F449-I521 HydrophobicContact CD1-CG2 4.44Å; F449-I521 HydrophobicContact CE1-CB 3.95Å; F449-I521 HydrophobicContact CE1-CD1 4.45Å; F449-I521 HydrophobicContact CE1-CG2 3.54Å; F449-I521 HydrophobicContact CZ-CB 4.29Å; F449-I521 HydrophobicContact CZ-CG2 4.16Å; A468-I521 HydrophobicContact CB-CD1 4.39Å; A468-I521 HydrophobicContact CB-CG2 4.28Å; V471-I521 HydrophobicContact CB-CG1 4.02Å; V471-I521 HydrophobicContact CG1-CG1 3.7Å; L472-I521 HydrophobicContact CD2-CD1 3.78Å; L472-I521 HydrophobicContact CG-CD1 4.22Å; L511-I521 HydrophobicContact CD1-CD1 4.24Å; G517-I521 WeakPolarHBondContact O-CB 3.45Å; G517-I521 WeakPolarHBondContact O-CD1 3.29Å; G517-I521 WeakPolarHBondContact O-CG1 3.33Å; G517-I521 PolarHBondContact O-N 3.02Å; V519-I521 PolarHBondContact O-N 3.14Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 3.33Å; I521-A524 PolarHBondContact O-N 3.25Å; I521-I525 HydrophobicContact CG2-CD1 3.67Å; I521-I525 HydrophobicContact CG2-CG1 4.19Å; I521-I525 WeakPolarHBondContact O-CB 3.45Å; I521-I525 WeakPolarHBondContact O-CG1 3.41Å; I521-I525 PolarHBondContact O-N 2.87Å |
| 522 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F449 R518 V519 N526 L608 A618 L622 | F449-A522 HydrophobicContact CZ-CB 4.25Å; R518-A522 VanDerWaalsContact O-CB 3.29Å; R518-A522 WeakPolarHBondContact O-CB 3.37Å; R518-A522 PolarHBondContact O-N 3.34Å; V519-A522 PolarHBondContact O-N 2.88Å; A522-N526 WeakPolarHBondContact O-CB 3.25Å; A522-N526 PolarHBondContact O-N 3.3Å; A522-L608 HydrophobicContact CB-CD1 4.22Å; A522-L608 VanDerWaalsContact O-CD1 3.27Å; A522-L608 WeakPolarHBondContact O-CD1 3.36Å; A522-A618 HydrophobicContact CB-CB 4.22Å; A522-L622 HydrophobicContact CB-CD1 3.67Å |
| 523 | L | 98.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 19% | 0.188 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 177.3 | -66.5 | 172.5 | 0 | 0 | 0 | 112.3 | V519 C520 I521 N526 Q527 A615 | V519-L523 HydrophobicContact CG1-CD1 3.72Å; V519-L523 HydrophobicContact CG1-CG 4.31Å; V519-L523 WeakPolarHBondContact O-CB 3.41Å; V519-L523 WeakPolarHBondContact O-CG 3.47Å; V519-L523 PolarHBondContact O-N 3.2Å; C520-L523 PolarHBondContact O-N 3.26Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 3.33Å; L523-N526 PolarHBondContact O-N 2.84Å; L523-Q527 WeakPolarHBondContact O-CB 3.39Å; L523-Q527 PolarHBondContact O-N 3.42Å; L523-A615 HydrophobicContact CD2-CB 3.69Å |
| 524 | A | 98.9 | Very high | 98.4 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 24% | 0.24 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I467 V471 C520 I521 A528 | I467-A524 HydrophobicContact CG2-CB 3.55Å; V471-A524 HydrophobicContact CG2-CB 3.98Å; C520-A524 WeakPolarHBondContact O-CB 3.36Å; C520-A524 PolarHBondContact O-N 2.87Å; I521-A524 PolarHBondContact O-N 3.25Å; A524-A528 WeakPolarHBondContact O-CB 3.49Å; A524-A528 PolarHBondContact O-N 2.85Å |
| 525 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 172.3 | -70.4 | 176.8 | 0 | 0 | 0 | 110.2 | W451 T464 I467 I521 Q527 A528 V529 V538 I540 L608 | W451-I525 HydrophobicContact CD2-CD1 4.36Å; W451-I525 HydrophobicContact CG-CD1 4.38Å; T464-I525 HydrophobicContact CG2-CD1 4.31Å; T464-I525 HydrophobicContact CG2-CG1 4.26Å; T464-I525 HydrophobicContact CG2-CG2 4.43Å; I467-I525 HydrophobicContact CG2-CG1 4.2Å; I521-I525 HydrophobicContact CG2-CD1 3.67Å; I521-I525 HydrophobicContact CG2-CG1 4.19Å; I521-I525 WeakPolarHBondContact O-CB 3.45Å; I521-I525 WeakPolarHBondContact O-CG1 3.41Å; I521-I525 PolarHBondContact O-N 2.87Å; I525-Q527 VanDerWaalsContact C-N 3.3Å; I525-Q527 PolarHBondContact O-N 3.39Å; I525-A528 WeakPolarHBondContact O-CA 3.27Å; I525-A528 WeakPolarHBondContact O-CB 3.37Å; I525-A528 PolarHBondContact O-N 3.36Å; I525-V529 WeakPolarHBondContact O-CG2 3.29Å; I525-V529 PolarHBondContact O-N 3.17Å; I525-V538 HydrophobicContact CG2-CB 3.69Å; I525-V538 HydrophobicContact CG2-CG1 3.88Å; I525-V538 HydrophobicContact CG2-CG2 3.72Å; I525-I540 HydrophobicContact CD1-CD1 4.33Å; I525-L608 HydrophobicContact CB-CD1 4.11Å; I525-L608 HydrophobicContact CG2-CD1 3.85Å |
| 526 | N | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 178.3 | -166.1 | 68.5 | 0 | 0 | 0 | 111.2 | A522 L523 A528 V529 A530 L608 D609 G610 S611 | A522-N526 WeakPolarHBondContact O-CB 3.25Å; A522-N526 PolarHBondContact O-N 3.3Å; L523-N526 PolarHBondContact O-N 2.84Å; N526-A528 VanDerWaalsContact C-N 3.3Å; N526-A528 PolarHBondContact O-N 3.43Å; N526-V529 PolarHBondContact O-N 2.98Å; N526-A530 PolarHBondContact O-N 2.95Å; N526-L608 HydrophobicContact CB-CB 4.2Å; N526-L608 HydrophobicContact CB-CD1 4.37Å; N526-L608 HydrophobicContact CB-CD2 4.35Å; N526-L608 WeakPolarHBondContact OD1-CB 3.43Å; N526-D609 PolarHBondContact OD1-N 3.2Å; N526-G610 WeakPolarHBondContact O-CA 3.39Å; N526-G610 WeakPolarHBondContact OD1-CA 3.46Å; N526-G610 PolarHBondContact OD1-N 2.95Å; N526-S611 PolarHBondContact ND2-O 3.08Å |
| 527 | Q | 98.8 | Very high | 98.6 | Very high | 99 Ų | 99 | 31.4 Ų | 31.4 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 173.6 | -170.3 | 62.6 | 52.5 | 0 | 0 | 111.9 | L523 I525 V529 A530 D531 | L523-Q527 WeakPolarHBondContact O-CB 3.39Å; L523-Q527 PolarHBondContact O-N 3.42Å; I525-Q527 VanDerWaalsContact C-N 3.3Å; I525-Q527 PolarHBondContact O-N 3.39Å; Q527-V529 VanDerWaalsContact C-N 3.3Å; Q527-V529 PolarHBondContact O-N 3.26Å; Q527-A530 WeakPolarHBondContact O-CB 3.43Å; Q527-A530 PolarHBondContact O-N 3.43Å; Q527-D531 PolarHBondContact NE2-OD1 3Å; Q527-D531 WeakPolarHBondContact O-CB 3.42Å; Q527-D531 PolarHBondContact O-N 3.29Å |
| 528 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -32.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I467 A524 I525 N526 G532 R533 V534 | I467-A528 HydrophobicContact CD1-CB 3.5Å; A524-A528 WeakPolarHBondContact O-CB 3.49Å; A524-A528 PolarHBondContact O-N 2.85Å; I525-A528 WeakPolarHBondContact O-CA 3.27Å; I525-A528 WeakPolarHBondContact O-CB 3.37Å; I525-A528 PolarHBondContact O-N 3.36Å; N526-A528 VanDerWaalsContact C-N 3.3Å; N526-A528 PolarHBondContact O-N 3.43Å; A528-G532 PolarHBondContact O-N 3.38Å; A528-R533 VanDerWaalsContact CA-NH2 3.3Å; A528-R533 HydrophobicContact CB-CB 4.31Å; A528-R533 VanDerWaalsContact CB-NH1 3.27Å; A528-R533 PolarHBondContact O-N 2.88Å; A528-V534 HydrophobicContact CB-CB 4.36Å; A528-V534 HydrophobicContact CB-CG2 3.75Å; A528-V534 PolarHBondContact O-N 2.96Å |
| 529 | V | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.7 | -45.2 | 170.6 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | I525 N526 Q527 D531 G532 V534 V538 | I525-V529 WeakPolarHBondContact O-CG2 3.29Å; I525-V529 PolarHBondContact O-N 3.17Å; N526-V529 PolarHBondContact O-N 2.98Å; Q527-V529 VanDerWaalsContact C-N 3.3Å; Q527-V529 PolarHBondContact O-N 3.26Å; V529-D531 VanDerWaalsContact C-N 3.33Å; V529-D531 PolarHBondContact O-N 3.12Å; V529-G532 PolarHBondContact O-N 3.08Å; V529-G532 VanDerWaalsContact O-N 3.16Å; V529-V534 HydrophobicContact CG2-CB 4.08Å; V529-V534 HydrophobicContact CG2-CG1 4.02Å; V529-V538 HydrophobicContact CG2-CG2 4.12Å |
| 530 | A | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 45% | 0.446 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N526 Q527 G532 G610 | N526-A530 PolarHBondContact O-N 2.95Å; Q527-A530 WeakPolarHBondContact O-CB 3.43Å; Q527-A530 PolarHBondContact O-N 3.43Å; A530-G532 VanDerWaalsContact C-N 3.28Å; A530-G532 PolarHBondContact O-N 3.14Å; A530-G610 WeakPolarHBondContact CB-O 3.3Å |
| 531 | D | 97.9 | Very high | 98.7 | Very high | 89 Ų | 89 | 28.7 Ų | 28.7 | 48% | 0.476 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7.7 | 179.5 | -57.2 | -23.8 | 0 | 0 | 0 | 113.3 | Q527 V529 R533 | Q527-D531 PolarHBondContact NE2-OD1 3Å; Q527-D531 WeakPolarHBondContact O-CB 3.42Å; Q527-D531 PolarHBondContact O-N 3.29Å; V529-D531 VanDerWaalsContact C-N 3.33Å; V529-D531 PolarHBondContact O-N 3.12Å; D531-R533 VanDerWaalsContact C-N 3.28Å; D531-R533 HydrophobicContact CB-CG 4.34Å; D531-R533 PolarHBondContact O-N 3.31Å; D531-R533 IonicContact OD2-CZ 3.71Å; D531-R533 IonicContact OD2-NE 3.66Å; D531-R533 PolarHBondContact OD2-NE 3.28Å; D531-R533 IonicContact OD2-NH2 3.37Å; D531-R533 PolarHBondContact OD2-NH2 2.92Å |
| 532 | G | 98.1 | Very high | 98.6 | Very high | 56 Ų | 56 | 28.7 Ų | 28.7 | 58% | 0.577 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 11.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A528 V529 A530 V534 | A528-G532 PolarHBondContact O-N 3.38Å; V529-G532 PolarHBondContact O-N 3.08Å; V529-G532 VanDerWaalsContact O-N 3.16Å; A530-G532 VanDerWaalsContact C-N 3.28Å; A530-G532 PolarHBondContact O-N 3.14Å; G532-V534 VanDerWaalsContact C-N 3.29Å |
| 533 | R | 98.4 | Very high | 98.5 | Very high | 119 Ų | 119 | 30.1 Ų | 30.1 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -71.3 | -27.8 | 172 | -70.9 | -178.5 | -72.2 | 109.4 | -2.8 | 112.1 | A528 D531 | A528-R533 VanDerWaalsContact CA-NH2 3.3Å; A528-R533 HydrophobicContact CB-CB 4.31Å; A528-R533 VanDerWaalsContact CB-NH1 3.27Å; A528-R533 PolarHBondContact O-N 2.88Å; D531-R533 VanDerWaalsContact C-N 3.28Å; D531-R533 HydrophobicContact CB-CG 4.34Å; D531-R533 PolarHBondContact O-N 3.31Å; D531-R533 IonicContact OD2-CZ 3.71Å; D531-R533 IonicContact OD2-NE 3.66Å; D531-R533 PolarHBondContact OD2-NE 3.28Å; D531-R533 IonicContact OD2-NH2 3.37Å; D531-R533 PolarHBondContact OD2-NH2 2.92Å |
| 534 | V | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -112.6 | 124.7 | 166.7 | 175.6 | 0 | 0 | 0 | 0 | 106.7 | D460 V463 T464 A528 V529 G532 A536 V538 | D460-V534 HydrophobicContact CB-CG1 4.07Å; D460-V534 WeakPolarHBondContact OD1-CA 3.22Å; V463-V534 HydrophobicContact CB-CG2 4.38Å; V463-V534 HydrophobicContact CG1-CG2 3.83Å; T464-V534 HydrophobicContact CG2-CG2 3.94Å; A528-V534 HydrophobicContact CB-CB 4.36Å; A528-V534 HydrophobicContact CB-CG2 3.75Å; A528-V534 PolarHBondContact O-N 2.96Å; V529-V534 HydrophobicContact CG2-CB 4.08Å; V529-V534 HydrophobicContact CG2-CG1 4.02Å; G532-V534 VanDerWaalsContact C-N 3.29Å; V534-A536 VanDerWaalsContact C-N 3.34Å; V534-A536 WeakPolarHBondContact CG1-O 3.27Å; V534-A536 PolarHBondContact O-N 3.17Å; V534-V538 HydrophobicContact CG1-CG2 3.8Å |
| 535 | S | 98.4 | Very high | 98.2 | Very high | 80 Ų | 80 | 27.6 Ų | 27.6 | 56% | 0.559 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -73.4 | -21.5 | -162.9 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | S455 D460 | S455-S535 WeakPolarHBondContact CB-OG 3.25Å; D460-S535 PolarHBondContact OD1-N 2.81Å; D460-S535 PolarHBondContact OD1-OG 3.18Å; D460-S535 PolarHBondContact OD2-N 2.69Å; D460-S535 PolarHBondContact OD2-OG 2.84Å |
| 536 | A | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -142.9 | 166.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I90 V534 | I90-A536 HydrophobicContact CG2-CB 4.27Å; V534-A536 VanDerWaalsContact C-N 3.34Å; V534-A536 WeakPolarHBondContact CG1-O 3.27Å; V534-A536 PolarHBondContact O-N 3.17Å |
| 537 | P | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | trans | -50.7 | 154.6 | 173.5 | -30.2 | 37.8 | 0 | 0 | 0 | 113.9 | T454 L607 L608 D609 | T454-P537 VanDerWaalsContact CB-O 3.26Å; T454-P537 WeakPolarHBondContact CB-O 3.17Å; T454-P537 VanDerWaalsContact CG2-O 3.24Å; T454-P537 WeakPolarHBondContact CG2-O 3.26Å; T454-P537 PolarHBondContact N-O 2.75Å; T454-P537 VanDerWaalsContact N-O 3.11Å; T454-P537 PolarHBondContact OG1-O 3.34Å; P537-L607 HydrophobicContact CB-CD1 3.64Å; P537-L607 HydrophobicContact CB-CD2 4.46Å; P537-L607 HydrophobicContact CB-CG 4.14Å; P537-L608 CarbonylContact C-O 3.58Å; P537-L608 WeakPolarHBondContact CA-O 3.36Å; P537-L608 WeakPolarHBondContact CB-O 3.25Å; P537-D609 HydrophobicContact CB-CB 4.38Å; P537-D609 HydrophobicContact CG-CB 4.23Å | ||
| 538 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.1 | 177.5 | 177 | 0 | 0 | 0 | 0 | 109.4 | W451 V452 I525 V529 V534 I540 L608 | W451-V538 HydrophobicContact CB-CG1 3.74Å; W451-V538 HydrophobicContact CG-CG1 4.18Å; V452-V538 WeakPolarHBondContact O-CA 3.37Å; I525-V538 HydrophobicContact CG2-CB 3.69Å; I525-V538 HydrophobicContact CG2-CG1 3.88Å; I525-V538 HydrophobicContact CG2-CG2 3.72Å; V529-V538 HydrophobicContact CG2-CG2 4.12Å; V534-V538 HydrophobicContact CG1-CG2 3.8Å; V538-I540 HydrophobicContact CG1-CD1 4.17Å; V538-L608 PolarHBondContact N-O 3.05Å; V538-L608 WeakPolarHBondContact O-CB 3.27Å; V538-L608 PolarHBondContact O-N 3.5Å |
| 539 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.8 | 171.5 | 170.5 | 0 | 0 | 0 | 0 | 108.5 | A102 M106 W451 V452 T454 W585 L606 L607 | A102-V539 HydrophobicContact CB-CG2 3.81Å; M106-V539 HydrophobicContact CE-CG1 4.42Å; M106-V539 HydrophobicContact CG-CG1 4.46Å; M106-V539 HydrophobicContact CG-CG2 4.5Å; M106-V539 HydrophobicContact SD-CB 4.42Å; M106-V539 HydrophobicContact SD-CG1 4.25Å; W451-V539 CarbonylContact C-O 3.56Å; W451-V539 WeakPolarHBondContact CA-O 3.3Å; W451-V539 WeakPolarHBondContact CB-O 3.46Å; V452-V539 HydrophobicContact CB-CB 4.38Å; V452-V539 PolarHBondContact N-O 2.93Å; V452-V539 PolarHBondContact O-N 2.82Å; T454-V539 HydrophobicContact CG2-CG2 3.79Å; V539-W585 HydrophobicContact CG1-CH2 3.56Å; V539-W585 HydrophobicContact CG1-CZ2 4.37Å; V539-W585 HydrophobicContact CG1-CZ3 4.3Å; V539-L606 CarbonylContact C-O 3.6Å; V539-L606 WeakPolarHBondContact CA-O 3.03Å; V539-L607 HydrophobicContact CG2-CD1 3.78Å |
| 540 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.5 | 165 | -55.6 | -56 | 0 | 0 | 0 | 109.3 | F449 R450 W451 I525 V538 F604 G605 L606 L608 | F449-I540 HydrophobicContact CD2-CG2 4.05Å; F449-I540 HydrophobicContact CE1-CD1 4.29Å; F449-I540 HydrophobicContact CE2-CG2 3.35Å; F449-I540 HydrophobicContact CZ-CD1 3.87Å; F449-I540 HydrophobicContact CZ-CG1 4.31Å; F449-I540 HydrophobicContact CZ-CG2 3.68Å; R450-I540 WeakPolarHBondContact O-CA 3.47Å; W451-I540 HydrophobicContact CB-CD1 3.49Å; W451-I540 VanDerWaalsContact CB-CD1 3.49Å; W451-I540 HydrophobicContact CG-CD1 4.49Å; I525-I540 HydrophobicContact CD1-CD1 4.33Å; V538-I540 HydrophobicContact CG1-CD1 4.17Å; I540-F604 HydrophobicContact CG2-CE2 4.23Å; I540-F604 HydrophobicContact CG2-CZ 4.37Å; I540-G605 CarbonylContact O-C 3.23Å; I540-G605 WeakPolarHBondContact O-CA 3.12Å; I540-L606 PolarHBondContact N-O 3.08Å; I540-L606 PolarHBondContact O-N 3.47Å; I540-L608 HydrophobicContact CD1-CD1 3.76Å; I540-L608 HydrophobicContact CG1-CD1 3.39Å; I540-L608 HydrophobicContact CG1-CD2 4.48Å; I540-L608 HydrophobicContact CG1-CG 3.78Å |
| 541 | S | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | -167.1 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | C211 R450 F604 | C211-S541 VanDerWaalsContact CB-OG 3.24Å; C211-S541 WeakPolarHBondContact CB-OG 3.37Å; C211-S541 PolarHBondContact SG-OG 3.36Å; C211-S541 VanDerWaalsContact SG-OG 3.4Å; R450-S541 VanDerWaalsContact CG-C 3.46Å; R450-S541 WeakPolarHBondContact CG-O 3.44Å; R450-S541 PolarHBondContact N-O 2.83Å; R450-S541 PolarHBondContact O-N 3.19Å; R450-S541 VanDerWaalsContact O-O 3.14Å; S541-F604 WeakPolarHBondContact CB-O 3.38Å; S541-F604 PolarHBondContact OG-O 2.68Å |
| 542 | R | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | trans | -157.2 | 168.1 | 172.2 | 57.4 | 169.8 | 178.9 | 70.8 | 0.1 | 111.7 | P448 D546 N574 G602 F604 D625 | P448-R542 HydrophobicContact CB-CB 4.27Å; P448-R542 HydrophobicContact CG-CB 4.18Å; P448-R542 WeakPolarHBondContact O-CB 3.22Å; R542-D546 WeakPolarHBondContact CD-OD2 3.49Å; R542-D546 IonicContact CZ-OD2 3.18Å; R542-D546 IonicContact NE-OD2 3.2Å; R542-D546 PolarHBondContact NE-OD2 3.39Å; R542-N574 PolarHBondContact NH2-ND2 3.45Å; R542-N574 VanDerWaalsContact NH2-ND2 3.19Å; R542-G602 PolarHBondContact NH1-O 3.09Å; R542-G602 PolarHBondContact NH2-O 3.22Å; R542-F604 HydrophobicContact CG-CD1 4.09Å; R542-F604 HydrophobicContact CG-CE1 3.63Å; R542-F604 HydrophobicContact CG-CZ 4.33Å; R542-D625 IonicContact CZ-OD1 3.27Å; R542-D625 IonicContact CZ-OD2 3.61Å; R542-D625 IonicContact NE-OD1 3.76Å; R542-D625 PolarHBondContact NE-OD1 3.08Å; R542-D625 IonicContact NE-OD2 2.75Å; R542-D625 PolarHBondContact NE-OD2 3.16Å; R542-D625 IonicContact NH2-OD1 3.54Å; R542-D625 PolarHBondContact NH2-OD1 3.23Å; R542-D625 IonicContact NH2-OD2 3.74Å | ||
| 543 | D | 95.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 12.8 Ų | 12.8 | 16% | 0.155 | 7% | 0.067 | C | C | . | . | trans | -70 | 161.4 | 160.6 | -154.2 | -19.1 | 0 | 0 | 0 | 109.7 | M205 T206 P448 H545 | M205-D543 WeakPolarHBondContact CB-OD1 3.29Å; T206-D543 HydrophobicContact CG2-CB 4.16Å; T206-D543 WeakPolarHBondContact CG2-OD1 3.28Å; P448-D543 HydrophobicContact CB-CB 4.28Å; P448-D543 HydrophobicContact CG-CB 4.08Å; D543-H545 HydrophobicContact CB-CB 4.44Å; D543-H545 PolarHBondContact O-N 2.61Å | ||
| 544 | H | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -76.9 | -16.1 | 174.8 | -56.7 | -165.3 | 0 | 0 | 0 | 110.8 | M205 S209 D546 T550 H589 N601 G602 | M205-H544 HydrophobicContact CB-CB 3.75Å; M205-H544 HydrophobicContact CG-CB 3.77Å; M205-H544 PolarHBondContact O-CE1 2.96Å; M205-H544 PolarHBondContact O-NE2 3.39Å; M205-H544 HydrophobicContact SD-CB 4.04Å; S209-H544 PolarHBondContact OG-NE2 2.83Å; H544-D546 PolarHBondContact O-N 3.46Å; H544-T550 WeakPolarHBondContact O-CB 3.26Å; H544-T550 PolarHBondContact O-OG1 3.06Å; H544-H589 AromaticContact CE1-CE1 3.65Å; H544-H589 AromaticContact CE1-CG 3.88Å; H544-H589 AromaticContact CE1-ND1 3.48Å; H544-H589 PolarHBondContact CE1-ND1 3.01Å; H544-H589 AromaticContact ND1-ND1 3.98Å; H544-N601 HydrophobicContact CB-CB 3.92Å; H544-N601 PolarHBondContact ND1-ND2 3.04Å; H544-N601 PolarHBondContact ND1-O 3.27Å; H544-G602 WeakPolarHBondContact CB-O 3.45Å; H544-G602 VanDerWaalsContact CG-C 3.5Å; H544-G602 VanDerWaalsContact CG-O 3.3Å; H544-G602 PolarHBondContact ND1-N 3.22Å |
| 545 | H | 94.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 9.9 Ų | 9.9 | 6% | 0.056 | 6% | 0.057 | C | C | . | . | trans | -66.1 | 70.4 | 170.4 | -175.4 | 56.9 | 0 | 0 | 0 | 112.1 | M205 Y433 F442 P448 Y512 D543 E556 | M205-H545 HydrophobicContact CE-CB 4.24Å; M205-H545 HydrophobicContact SD-CB 4.04Å; Y433-H545 AromaticContact CE2-NE2 3.67Å; Y433-H545 AromaticContact CZ-CE1 3.64Å; Y433-H545 AromaticContact CZ-NE2 3.6Å; Y433-H545 PolarHBondContact OH-CE1 3.29Å; Y433-H545 PolarHBondContact OH-ND1 3.09Å; Y433-H545 PolarHBondContact OH-NE2 3.46Å; F442-H545 AromaticContact CE2-CE1 3.5Å; F442-H545 AromaticContact CE2-NE2 3.86Å; F442-H545 AromaticContact CZ-CD2 3.76Å; F442-H545 AromaticContact CZ-CE1 3.41Å; F442-H545 VanDerWaalsContact CZ-CE1 3.41Å; F442-H545 WeakPolarHBondContact CZ-CE1 3.35Å; F442-H545 AromaticContact CZ-ND1 3.86Å; F442-H545 AromaticContact CZ-NE2 3.39Å; F442-H545 WeakPolarHBondContact CZ-NE2 3.45Å; P448-H545 WeakPolarHBondContact CD-O 3.29Å; P448-H545 WeakPolarHBondContact CG-O 3.39Å; Y512-H545 PolarHBondContact OH-CD2 2.86Å; Y512-H545 VanDerWaalsContact OH-CD2 3.32Å; D543-H545 HydrophobicContact CB-CB 4.44Å; D543-H545 PolarHBondContact O-N 2.61Å; H545-E556 IonicContact CE1-OE1 3.87Å; H545-E556 IonicContact CG-OE1 3.14Å; H545-E556 WeakPolarHBondContact ND1-CG 3.39Å; H545-E556 IonicContact ND1-OE1 3.59Å; H545-E556 PolarHBondContact ND1-OE1 3.3Å | ||
| 546 | D | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -140.6 | 170.4 | -172.9 | -165.6 | 21.4 | 0 | 0 | 0 | 112.1 | G447 P448 R518 R542 H544 S548 | G447-D546 WeakPolarHBondContact CA-OD1 3.3Å; P448-D546 HydrophobicContact CG-CB 4.04Å; R518-D546 IonicContact CZ-OD1 2.87Å; R518-D546 IonicContact CZ-OD2 2.92Å; R518-D546 IonicContact NH1-OD1 2.89Å; R518-D546 IonicContact NH1-OD2 2.7Å; R518-D546 PolarHBondContact NH1-OD2 2.88Å; R518-D546 IonicContact NH2-OD1 3.79Å; R518-D546 PolarHBondContact NH2-OD1 3.31Å; R518-D546 IonicContact NH2-OD2 3.36Å; R518-D546 PolarHBondContact NH2-OD2 3.38Å; R542-D546 WeakPolarHBondContact CD-OD2 3.49Å; R542-D546 IonicContact CZ-OD2 3.18Å; R542-D546 IonicContact NE-OD2 3.2Å; R542-D546 PolarHBondContact NE-OD2 3.39Å; H544-D546 PolarHBondContact O-N 3.46Å; D546-S548 VanDerWaalsContact C-N 3.32Å; D546-S548 PolarHBondContact O-N 2.9Å |
| 547 | V | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -41.7 | -176 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | F442 V626 V630 R633 | F442-V547 HydrophobicContact CB-CB 4.23Å; F442-V547 HydrophobicContact CB-CG2 4.46Å; F442-V547 HydrophobicContact CD1-CB 4.44Å; F442-V547 WeakPolarHBondContact O-CG2 3.35Å; V547-V626 HydrophobicContact CG1-CG1 4.19Å; V547-V630 HydrophobicContact CG2-CG2 3.88Å; V547-R633 PolarHBondContact O-NE 3.13Å |
| 548 | S | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -21.8 | -173 | -43 | 0 | 0 | 0 | 0 | 114.1 | D546 T550 N574 D625 V626 G629 | D546-S548 VanDerWaalsContact C-N 3.32Å; D546-S548 PolarHBondContact O-N 2.9Å; S548-T550 VanDerWaalsContact C-N 3.29Å; S548-T550 PolarHBondContact O-N 2.75Å; S548-N574 WeakPolarHBondContact CB-OD1 3.43Å; S548-D625 WeakPolarHBondContact CB-O 3.33Å; S548-D625 PolarHBondContact OG-O 3.48Å; S548-V626 PolarHBondContact OG-O 3.32Å; S548-G629 WeakPolarHBondContact OG-CA 3.43Å; S548-G629 PolarHBondContact OG-N 3.44Å |
| 549 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114 | N601 G602 | G549-N601 CarbonylContact O-C 3.56Å; G549-N601 WeakPolarHBondContact O-CA 3.46Å; G549-G602 PolarHBondContact O-N 3.07Å |
| 550 | T | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 130.5 | -166.6 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | H544 S548 E556 M570 V599 I600 N601 | H544-T550 WeakPolarHBondContact O-CB 3.26Å; H544-T550 PolarHBondContact O-OG1 3.06Å; S548-T550 VanDerWaalsContact C-N 3.29Å; S548-T550 PolarHBondContact O-N 2.75Å; T550-E556 HydrophobicContact CG2-CB 3.9Å; T550-E556 HydrophobicContact CG2-CG 3.81Å; T550-E556 WeakPolarHBondContact CG2-OE2 3.28Å; T550-M570 WeakPolarHBondContact O-CE 3.31Å; T550-V599 HydrophobicContact CG2-CG1 3.44Å; T550-V599 VanDerWaalsContact CG2-CG1 3.44Å; T550-I600 WeakPolarHBondContact CA-O 3.37Å; T550-N601 HydrophobicContact CG2-CB 3.73Å; T550-N601 WeakPolarHBondContact OG1-CB 3.48Å |
| 551 | D | 98.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 113.8 | 162.9 | -72.6 | -63.3 | 0 | 0 | 0 | 109.1 | C567 A568 M570 A571 V599 I600 R632 | D551-C567 WeakPolarHBondContact CB-O 3.44Å; D551-A568 WeakPolarHBondContact OD2-CA 3.18Å; D551-M570 WeakPolarHBondContact OD2-CB 3.22Å; D551-M570 PolarHBondContact OD2-N 2.94Å; D551-A571 HydrophobicContact CB-CB 4.47Å; D551-A571 WeakPolarHBondContact OD2-CB 3.5Å; D551-A571 PolarHBondContact OD2-N 3.41Å; D551-V599 WeakPolarHBondContact O-CG1 3.48Å; D551-I600 PolarHBondContact N-O 2.84Å; D551-I600 PolarHBondContact O-N 3.05Å; D551-I600 VanDerWaalsContact O-N 3.09Å; D551-R632 IonicContact OD1-CZ 3.73Å; D551-R632 IonicContact OD1-NH1 3.76Å; D551-R632 PolarHBondContact OD1-NH1 3Å; D551-R632 IonicContact OD1-NH2 2.77Å |
| 552 | S | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -147.9 | 104.2 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | F554 R555 E556 T557 V594 V599 | S552-F554 PolarHBondContact O-N 3.09Å; S552-R555 CarbonylContact O-C 3.57Å; S552-R555 PolarHBondContact O-N 2.93Å; S552-R555 PolarHBondContact OG-N 3.34Å; S552-E556 WeakPolarHBondContact CB-OE2 3.48Å; S552-E556 PolarHBondContact O-N 2.87Å; S552-T557 PolarHBondContact N-OG1 2.91Å; S552-T557 PolarHBondContact O-N 2.88Å; S552-T557 PolarHBondContact O-OG1 2.92Å; S552-V594 VanDerWaalsContact OG-CG2 3.31Å; S552-V594 WeakPolarHBondContact OG-CG2 3.37Å; S552-V599 WeakPolarHBondContact OG-CG2 3.15Å | ||
| 553 | P | 93.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 7% | 0.065 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20 | -175.2 | 22.3 | -32.3 | 0 | 0 | 0 | 113.5 | T426 S558 A565 F566 | T426-P553 HydrophobicContact CG2-CB 3.88Å; P553-S558 VanDerWaalsContact O-CA 3.3Å; P553-S558 WeakPolarHBondContact O-CA 3.38Å; P553-S558 VanDerWaalsContact O-CB 3.24Å; P553-S558 WeakPolarHBondContact O-CB 3.47Å; P553-A565 HydrophobicContact CB-CB 4.18Å; P553-F566 HydrophobicContact CB-CD1 4.02Å; P553-F566 HydrophobicContact CB-CE1 3.96Å; P553-F566 HydrophobicContact CB-CG 4.42Å; P553-F566 HydrophobicContact CB-CZ 4.32Å; P553-F566 HydrophobicContact CG-CD1 3.84Å; P553-F566 HydrophobicContact CG-CE1 3.95Å |
| 554 | F | 90.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 18.5 Ų | 18.5 | 13% | 0.127 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -4.2 | 179.6 | -55.2 | -70.2 | 0 | 0 | 0 | 113.4 | L409 T426 F428 S552 V594 E598 | L409-F554 HydrophobicContact CD1-CE1 4.15Å; L409-F554 HydrophobicContact CD1-CZ 4.05Å; L409-F554 HydrophobicContact CD2-CD2 4.14Å; L409-F554 HydrophobicContact CD2-CE2 4.06Å; L409-F554 HydrophobicContact CD2-CG 4.49Å; L409-F554 HydrophobicContact CD2-CZ 4.35Å; T426-F554 HydrophobicContact CG2-CE1 4.31Å; F428-F554 HydrophobicContact CE2-CD1 4.06Å; F428-F554 HydrophobicContact CE2-CE1 4.39Å; F428-F554 HydrophobicContact CZ-CD1 4.42Å; F428-F554 HydrophobicContact CZ-CE1 4.35Å; S552-F554 PolarHBondContact O-N 3.09Å; F554-V594 HydrophobicContact CB-CG1 4.26Å; F554-V594 HydrophobicContact CB-CG2 4.27Å; F554-V594 HydrophobicContact CD2-CG1 4.37Å; F554-E598 WeakPolarHBondContact CE2-OE2 3.36Å |
| 555 | R | 91.8 | Very high | 94.2 | Very high | 30 Ų | 30 | 18.7 Ų | 18.7 | 11% | 0.113 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142 | -98.5 | 177.8 | -74 | -179.7 | 77 | 152.9 | -5 | 111.9 | G404 Y433 V434 S552 T557 S558 G593 V594 | G404-R555 VanDerWaalsContact CA-CD 3.49Å; G404-R555 WeakPolarHBondContact O-CD 3.17Å; G404-R555 PolarHBondContact O-NH1 3.26Å; Y433-R555 PolarHBondContact OH-NH2 3.12Å; V434-R555 WeakPolarHBondContact CB-O 3.28Å; V434-R555 WeakPolarHBondContact CG1-O 3.46Å; V434-R555 HydrophobicContact CG2-CB 4.4Å; S552-R555 CarbonylContact O-C 3.57Å; S552-R555 PolarHBondContact O-N 2.93Å; S552-R555 PolarHBondContact OG-N 3.34Å; R555-T557 PolarHBondContact O-N 3.37Å; R555-T557 VanDerWaalsContact O-N 3.09Å; R555-S558 WeakPolarHBondContact O-CB 3.19Å; R555-S558 PolarHBondContact O-N 3.07Å; R555-S558 PolarHBondContact O-OG 2.97Å; R555-G593 VanDerWaalsContact NH1-CA 3.33Å; R555-V594 HydrophobicContact CB-CG2 4.05Å; R555-V594 HydrophobicContact CG-CG2 3.45Å; R555-V594 VanDerWaalsContact CG-CG2 3.45Å |
| 556 | E | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.4 | -163.7 | -70.9 | 71.6 | -150.9 | 0 | 0 | 113.1 | H545 T550 S552 R633 | H545-E556 IonicContact CE1-OE1 3.87Å; H545-E556 IonicContact CG-OE1 3.14Å; H545-E556 WeakPolarHBondContact ND1-CG 3.39Å; H545-E556 IonicContact ND1-OE1 3.59Å; H545-E556 PolarHBondContact ND1-OE1 3.3Å; T550-E556 HydrophobicContact CG2-CB 3.9Å; T550-E556 HydrophobicContact CG2-CG 3.81Å; T550-E556 WeakPolarHBondContact CG2-OE2 3.28Å; S552-E556 WeakPolarHBondContact CB-OE2 3.48Å; S552-E556 PolarHBondContact O-N 2.87Å; E556-R633 PolarHBondContact O-NH1 3.1Å; E556-R633 PolarHBondContact O-NH2 3.18Å |
| 557 | T | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 18.1 | 178 | 55 | 0 | 0 | 0 | 0 | 112.8 | S552 R555 N559 V560 A565 M570 | S552-T557 PolarHBondContact N-OG1 2.91Å; S552-T557 PolarHBondContact O-N 2.88Å; S552-T557 PolarHBondContact O-OG1 2.92Å; R555-T557 PolarHBondContact O-N 3.37Å; R555-T557 VanDerWaalsContact O-N 3.09Å; T557-N559 PolarHBondContact O-N 2.67Å; T557-V560 HydrophobicContact CG2-CG2 4.5Å; T557-V560 VanDerWaalsContact O-CB 3.27Å; T557-V560 WeakPolarHBondContact O-CB 3.3Å; T557-V560 PolarHBondContact O-N 3.46Å; T557-V560 VanDerWaalsContact O-N 3.07Å; T557-A565 PolarHBondContact OG1-O 2.97Å; T557-M570 HydrophobicContact CG2-CE 3.95Å |
| 558 | S | 91.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.5 | 179.6 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | S432 Q435 P553 R555 | S432-S558 PolarHBondContact OG-OG 3.22Å; Q435-S558 WeakPolarHBondContact CG-O 3.33Å; Q435-S558 WeakPolarHBondContact CG-OG 3.49Å; Q435-S558 PolarHBondContact N-OG 3.39Å; Q435-S558 PolarHBondContact NE2-O 3.02Å; P553-S558 VanDerWaalsContact O-CA 3.3Å; P553-S558 WeakPolarHBondContact O-CA 3.38Å; P553-S558 VanDerWaalsContact O-CB 3.24Å; P553-S558 WeakPolarHBondContact O-CB 3.47Å; R555-S558 WeakPolarHBondContact O-CB 3.19Å; R555-S558 PolarHBondContact O-N 3.07Å; R555-S558 PolarHBondContact O-OG 2.97Å |
| 559 | N | 89.8 | Confident | 94.4 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 20.4 | 171.6 | 75.1 | -37.7 | 0 | 0 | 0 | 113.6 | G439 T557 Y561 R633 | G439-N559 VanDerWaalsContact CA-ND2 3.29Å; G439-N559 WeakPolarHBondContact CA-ND2 3.42Å; G439-N559 PolarHBondContact O-ND2 3.24Å; T557-N559 PolarHBondContact O-N 2.67Å; N559-Y561 HydrophobicContact CB-CE2 4.31Å; N559-Y561 WeakPolarHBondContact O-CD2 3.48Å; N559-Y561 VanDerWaalsContact O-CE2 3.28Å; N559-Y561 WeakPolarHBondContact O-CE2 3.4Å; N559-R633 PolarHBondContact OD1-NH1 3.28Å |
| 560 | V | 91.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | trans | -102.5 | 116.2 | 173.5 | 168.3 | 0 | 0 | 0 | 0 | 108.3 | T557 D562 S564 A565 | T557-V560 HydrophobicContact CG2-CG2 4.5Å; T557-V560 VanDerWaalsContact O-CB 3.27Å; T557-V560 WeakPolarHBondContact O-CB 3.3Å; T557-V560 PolarHBondContact O-N 3.46Å; T557-V560 VanDerWaalsContact O-N 3.07Å; V560-D562 WeakPolarHBondContact CG1-OD1 3.41Å; V560-S564 VanDerWaalsContact CG1-OG 3.28Å; V560-S564 WeakPolarHBondContact CG1-OG 3.45Å; V560-A565 HydrophobicContact CB-CB 4.24Å; V560-A565 HydrophobicContact CG1-CB 4.32Å | ||
| 561 | Y | 89.1 | Confident | 94.4 | Very high | 134 Ų | 134 | 33.9 Ų | 33.9 | 53% | 0.525 | 19% | 0.187 | S | C | . | . | trans | -113.3 | -2.4 | -168.1 | -54.5 | -71.6 | 0 | 0 | 0 | 114.4 | N559 G563 | N559-Y561 HydrophobicContact CB-CE2 4.31Å; N559-Y561 WeakPolarHBondContact O-CD2 3.48Å; N559-Y561 VanDerWaalsContact O-CE2 3.28Å; N559-Y561 WeakPolarHBondContact O-CE2 3.4Å; Y561-G563 PolarHBondContact O-N 2.82Å; Y561-G563 VanDerWaalsContact O-N 3.12Å | ||
| 562 | D | 93.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 36.6 Ų | 36.6 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -73.5 | 5.8 | 176.8 | 70.2 | -14 | 0 | 0 | 0 | 113.8 | V560 S564 S636 | V560-D562 WeakPolarHBondContact CG1-OD1 3.41Å; D562-S564 VanDerWaalsContact C-N 3.32Å; D562-S564 VanDerWaalsContact CG-OG 3.3Å; D562-S564 WeakPolarHBondContact OD1-CB 3.49Å; D562-S564 PolarHBondContact OD1-N 2.92Å; D562-S564 PolarHBondContact OD1-OG 2.8Å; D562-S564 PolarHBondContact OD2-OG 3.36Å; D562-S636 VanDerWaalsContact CG-OG 3.3Å; D562-S636 PolarHBondContact OD1-OG 3.41Å; D562-S636 VanDerWaalsContact OD2-CA 3.29Å; D562-S636 WeakPolarHBondContact OD2-CA 3.06Å; D562-S636 WeakPolarHBondContact OD2-CB 3.47Å; D562-S636 PolarHBondContact OD2-OG 2.9Å |
| 563 | G | 92.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 58% | 0.577 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 87.4 | -11.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y561 A565 | Y561-G563 PolarHBondContact O-N 2.82Å; Y561-G563 VanDerWaalsContact O-N 3.12Å; G563-A565 PolarHBondContact O-N 2.95Å |
| 564 | S | 96.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -79 | -0.1 | -176.8 | 75.3 | 0 | 0 | 0 | 0 | 114.2 | V560 D562 F566 C567 R632 S636 | V560-S564 VanDerWaalsContact CG1-OG 3.28Å; V560-S564 WeakPolarHBondContact CG1-OG 3.45Å; D562-S564 VanDerWaalsContact C-N 3.32Å; D562-S564 VanDerWaalsContact CG-OG 3.3Å; D562-S564 WeakPolarHBondContact OD1-CB 3.49Å; D562-S564 PolarHBondContact OD1-N 2.92Å; D562-S564 PolarHBondContact OD1-OG 2.8Å; D562-S564 PolarHBondContact OD2-OG 3.36Å; S564-F566 PolarHBondContact O-N 2.97Å; S564-C567 VanDerWaalsContact O-CB 3.27Å; S564-C567 WeakPolarHBondContact O-CB 3.24Å; S564-C567 PolarHBondContact O-N 3.47Å; S564-R632 PolarHBondContact O-NH2 3.34Å; S564-R632 PolarHBondContact OG-NH2 3.26Å; S564-S636 PolarHBondContact OG-OG 3Å |
| 565 | A | 94.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -57.8 | -24.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P553 T557 V560 G563 | P553-A565 HydrophobicContact CB-CB 4.18Å; T557-A565 PolarHBondContact OG1-O 2.97Å; V560-A565 HydrophobicContact CB-CB 4.24Å; V560-A565 HydrophobicContact CG1-CB 4.32Å; G563-A565 PolarHBondContact O-N 2.95Å |
| 566 | F | 94.9 | Very high | 95.6 | Very high | 127 Ų | 127 | 42.6 Ų | 42.6 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -90.2 | -7.3 | 176.7 | -66.2 | -82.8 | 0 | 0 | 0 | 114.2 | A425 T426 P553 S564 | A425-F566 HydrophobicContact CB-CZ 4.29Å; T426-F566 HydrophobicContact CG2-CE1 4.2Å; T426-F566 HydrophobicContact CG2-CE2 3.7Å; T426-F566 HydrophobicContact CG2-CZ 3.36Å; P553-F566 HydrophobicContact CB-CD1 4.02Å; P553-F566 HydrophobicContact CB-CE1 3.96Å; P553-F566 HydrophobicContact CB-CG 4.42Å; P553-F566 HydrophobicContact CB-CZ 4.32Å; P553-F566 HydrophobicContact CG-CD1 3.84Å; P553-F566 HydrophobicContact CG-CE1 3.95Å; S564-F566 PolarHBondContact O-N 2.97Å |
| 567 | C | 97.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 37% | 0.365 | 24% | 0.237 | S | C | . | . | trans | -76.3 | 154.7 | 174.2 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | D551 S564 D569 | D551-C567 WeakPolarHBondContact CB-O 3.44Å; S564-C567 VanDerWaalsContact O-CB 3.27Å; S564-C567 WeakPolarHBondContact O-CB 3.24Å; S564-C567 PolarHBondContact O-N 3.47Å; C567-D569 WeakPolarHBondContact CB-OD2 3Å | ||
| 568 | A | 98.4 | Very high | 96 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 28% | 0.281 | 24% | 0.237 | S | C | . | . | trans | -117.4 | 11.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D551 M570 V572 I600 | D551-A568 WeakPolarHBondContact OD2-CA 3.18Å; A568-M570 VanDerWaalsContact C-N 3.34Å; A568-M570 PolarHBondContact O-N 2.78Å; A568-V572 WeakPolarHBondContact O-CG2 3.49Å; A568-V572 PolarHBondContact O-N 3.26Å; A568-I600 HydrophobicContact CB-CB 3.98Å; A568-I600 HydrophobicContact CB-CG1 3.77Å; A568-I600 HydrophobicContact CB-CG2 4.42Å | ||
| 569 | D | 98.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 43.4 Ų | 43.4 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.1 | -40.3 | -174.3 | -61.9 | -85.3 | 0 | 0 | 0 | 112.2 | C567 V572 Q573 | C567-D569 WeakPolarHBondContact CB-OD2 3Å; D569-V572 PolarHBondContact O-N 3.11Å; D569-Q573 VanDerWaalsContact O-CB 3.24Å; D569-Q573 WeakPolarHBondContact O-CB 3.43Å; D569-Q573 WeakPolarHBondContact O-CG 3.46Å; D569-Q573 PolarHBondContact O-N 3.39Å |
| 570 | M | 98.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | -175.2 | -176.1 | -174.3 | 70.5 | 0 | 0 | 111.1 | T550 D551 T557 A568 Q573 N574 N628 R632 | T550-M570 WeakPolarHBondContact O-CE 3.31Å; D551-M570 WeakPolarHBondContact OD2-CB 3.22Å; D551-M570 PolarHBondContact OD2-N 2.94Å; T557-M570 HydrophobicContact CG2-CE 3.95Å; A568-M570 VanDerWaalsContact C-N 3.34Å; A568-M570 PolarHBondContact O-N 2.78Å; M570-Q573 PolarHBondContact O-N 2.79Å; M570-N574 WeakPolarHBondContact O-CB 3.5Å; M570-N574 PolarHBondContact O-N 3.5Å; M570-N628 PolarHBondContact O-ND2 3.19Å; M570-R632 HydrophobicContact CB-CG 4.29Å; M570-R632 HydrophobicContact CG-CB 4.25Å; M570-R632 HydrophobicContact CG-CG 4.29Å; M570-R632 HydrophobicContact SD-CB 3.93Å; M570-R632 HydrophobicContact SD-CG 3.95Å |
| 571 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D551 N574 F575 I600 | D551-A571 HydrophobicContact CB-CB 4.47Å; D551-A571 WeakPolarHBondContact OD2-CB 3.5Å; D551-A571 PolarHBondContact OD2-N 3.41Å; A571-N574 PolarHBondContact O-N 3.18Å; A571-F575 PolarHBondContact O-N 3.4Å; A571-F575 VanDerWaalsContact O-N 3.08Å; A571-I600 HydrophobicContact CB-CB 4.39Å; A571-I600 HydrophobicContact CB-CG2 3.92Å; A571-I600 VanDerWaalsContact CB-O 3.3Å; A571-I600 WeakPolarHBondContact CB-O 3.25Å |
| 572 | V | 98.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | A568 D569 N574 F575 V576 L588 I600 | A568-V572 WeakPolarHBondContact O-CG2 3.49Å; A568-V572 PolarHBondContact O-N 3.26Å; D569-V572 PolarHBondContact O-N 3.11Å; V572-N574 VanDerWaalsContact C-N 3.28Å; V572-N574 PolarHBondContact O-N 3.41Å; V572-F575 PolarHBondContact O-N 3.03Å; V572-V576 WeakPolarHBondContact O-CG2 3.37Å; V572-V576 PolarHBondContact O-N 2.89Å; V572-L588 HydrophobicContact CG2-CD2 4.23Å; V572-I600 HydrophobicContact CG2-CG2 4.5Å |
| 573 | Q | 98.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 177.9 | -71.5 | -69.5 | -6 | 0 | 0 | 111.3 | D569 M570 V576 G577 W624 | D569-Q573 VanDerWaalsContact O-CB 3.24Å; D569-Q573 WeakPolarHBondContact O-CB 3.43Å; D569-Q573 WeakPolarHBondContact O-CG 3.46Å; D569-Q573 PolarHBondContact O-N 3.39Å; M570-Q573 PolarHBondContact O-N 2.79Å; Q573-V576 PolarHBondContact O-N 3.47Å; Q573-G577 WeakPolarHBondContact O-CA 3.44Å; Q573-G577 PolarHBondContact O-N 2.71Å; Q573-W624 HydrophobicContact CB-CZ2 4.36Å; Q573-W624 WeakPolarHBondContact O-CZ2 3.29Å |
| 574 | N | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -50.8 | 176.8 | -155.3 | 80.1 | 0 | 0 | 0 | 111.3 | R542 S548 M570 A571 V572 V576 G577 D578 W624 D625 N628 | R542-N574 PolarHBondContact NH2-ND2 3.45Å; R542-N574 VanDerWaalsContact NH2-ND2 3.19Å; S548-N574 WeakPolarHBondContact CB-OD1 3.43Å; M570-N574 WeakPolarHBondContact O-CB 3.5Å; M570-N574 PolarHBondContact O-N 3.5Å; A571-N574 PolarHBondContact O-N 3.18Å; V572-N574 VanDerWaalsContact C-N 3.28Å; V572-N574 PolarHBondContact O-N 3.41Å; N574-V576 PolarHBondContact O-N 2.77Å; N574-G577 PolarHBondContact O-N 2.93Å; N574-D578 PolarHBondContact ND2-OD2 3.29Å; N574-D578 WeakPolarHBondContact O-CB 3.47Å; N574-D578 VanDerWaalsContact O-CG 3.3Å; N574-D578 PolarHBondContact O-N 2.94Å; N574-W624 PolarHBondContact O-NE1 3.05Å; N574-D625 PolarHBondContact ND2-OD1 3.31Å; N574-N628 WeakPolarHBondContact CB-ND2 3.42Å; N574-N628 PolarHBondContact OD1-ND2 3.08Å |
| 575 | F | 98.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 39 Ų | 39 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.8 | -47.7 | 178.3 | 165.8 | -103.7 | 0 | 0 | 0 | 112.5 | I175 A571 V572 A579 V586 A587 L588 | I175-F575 HydrophobicContact CG2-CE2 4.18Å; I175-F575 HydrophobicContact CG2-CZ 3.57Å; A571-F575 PolarHBondContact O-N 3.4Å; A571-F575 VanDerWaalsContact O-N 3.08Å; V572-F575 PolarHBondContact O-N 3.03Å; F575-A579 PolarHBondContact O-N 3.24Å; F575-V586 HydrophobicContact CD2-CB 3.81Å; F575-V586 HydrophobicContact CD2-CG2 3.93Å; F575-V586 HydrophobicContact CE2-CB 3.82Å; F575-V586 HydrophobicContact CE2-CG2 3.49Å; F575-V586 VanDerWaalsContact CE2-CG2 3.49Å; F575-V586 HydrophobicContact CZ-CG2 4.16Å; F575-A587 VanDerWaalsContact CD2-C 3.46Å; F575-L588 HydrophobicContact CB-CB 4.31Å; F575-L588 HydrophobicContact CB-CD1 4.13Å; F575-L588 HydrophobicContact CD1-CB 4.14Å; F575-L588 HydrophobicContact CD1-CD2 4.24Å; F575-L588 HydrophobicContact CD2-CB 3.75Å; F575-L588 HydrophobicContact CE1-CB 4.36Å; F575-L588 HydrophobicContact CE2-CB 3.97Å; F575-L588 HydrophobicContact CG-CB 3.81Å; F575-L588 HydrophobicContact CZ-CB 4.26Å |
| 576 | V | 98.7 | Very high | 98.1 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 39% | 0.394 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | V572 Q573 N574 D578 A579 F580 | V572-V576 WeakPolarHBondContact O-CG2 3.37Å; V572-V576 PolarHBondContact O-N 2.89Å; Q573-V576 PolarHBondContact O-N 3.47Å; N574-V576 PolarHBondContact O-N 2.77Å; V576-D578 PolarHBondContact O-N 3.45Å; V576-A579 WeakPolarHBondContact O-CB 3.24Å; V576-A579 PolarHBondContact O-N 2.94Å; V576-A579 VanDerWaalsContact O-N 3.16Å; V576-F580 HydrophobicContact CG1-CD1 4.18Å; V576-F580 HydrophobicContact CG1-CE1 3.97Å; V576-F580 WeakPolarHBondContact O-CD1 3.39Å; V576-F580 WeakPolarHBondContact O-CE1 3.32Å; V576-F580 PolarHBondContact O-N 3.11Å |
| 577 | G | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.9 | -33.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q573 N574 F580 R581 W624 | Q573-G577 WeakPolarHBondContact O-CA 3.44Å; Q573-G577 PolarHBondContact O-N 2.71Å; N574-G577 PolarHBondContact O-N 2.93Å; G577-F580 VanDerWaalsContact CA-CE1 3.49Å; G577-R581 VanDerWaalsContact CA-NH1 3.29Å; G577-R581 WeakPolarHBondContact O-CB 3.43Å; G577-R581 WeakPolarHBondContact O-CD 3.31Å; G577-R581 WeakPolarHBondContact O-CG 3.32Å; G577-R581 PolarHBondContact O-NH1 3.12Å; G577-W624 VanDerWaalsContact C-CD1 3.47Å; G577-W624 VanDerWaalsContact CA-NE1 3.3Å |
| 578 | D | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 171.4 | -71.9 | -25.7 | 0 | 0 | 0 | 111 | N574 V576 F580 R581 A583 V586 M621 | N574-D578 PolarHBondContact ND2-OD2 3.29Å; N574-D578 WeakPolarHBondContact O-CB 3.47Å; N574-D578 VanDerWaalsContact O-CG 3.3Å; N574-D578 PolarHBondContact O-N 2.94Å; V576-D578 PolarHBondContact O-N 3.45Å; D578-F580 VanDerWaalsContact C-N 3.32Å; D578-F580 PolarHBondContact O-N 3.43Å; D578-R581 PolarHBondContact O-N 3.33Å; D578-R581 VanDerWaalsContact O-N 3.11Å; D578-A583 HydrophobicContact CB-CB 4.37Å; D578-A583 WeakPolarHBondContact O-CB 3.2Å; D578-A583 PolarHBondContact O-N 3.38Å; D578-V586 HydrophobicContact CB-CG1 3.78Å; D578-M621 HydrophobicContact CB-CG 4.26Å |
| 579 | A | 98.4 | Very high | 98.4 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | P172 F575 V576 V586 | P172-A579 WeakPolarHBondContact CD-O 3.41Å; P172-A579 HydrophobicContact CG-CB 4.02Å; P172-A579 VanDerWaalsContact CG-O 3.29Å; P172-A579 WeakPolarHBondContact CG-O 3.35Å; F575-A579 PolarHBondContact O-N 3.24Å; V576-A579 WeakPolarHBondContact O-CB 3.24Å; V576-A579 PolarHBondContact O-N 2.94Å; V576-A579 VanDerWaalsContact O-N 3.16Å; A579-V586 HydrophobicContact CB-CG1 4.16Å; A579-V586 HydrophobicContact CB-CG2 3.94Å |
| 580 | F | 97.3 | Very high | 98.4 | Very high | 137 Ų | 137 | 24.4 Ų | 24.4 | 60% | 0.601 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.5 | 179.3 | 65.1 | -105.9 | 0 | 0 | 0 | 114.2 | V576 G577 D578 | V576-F580 HydrophobicContact CG1-CD1 4.18Å; V576-F580 HydrophobicContact CG1-CE1 3.97Å; V576-F580 WeakPolarHBondContact O-CD1 3.39Å; V576-F580 WeakPolarHBondContact O-CE1 3.32Å; V576-F580 PolarHBondContact O-N 3.11Å; G577-F580 VanDerWaalsContact CA-CE1 3.49Å; D578-F580 VanDerWaalsContact C-N 3.32Å; D578-F580 PolarHBondContact O-N 3.43Å |
| 581 | R | 98.1 | Very high | 98.2 | Very high | 67 Ų | 67 | 24 Ų | 24 | 25% | 0.253 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 10.1 | 176.8 | -72.1 | -178.1 | 177.3 | 87.8 | -3.8 | 114.1 | G577 D578 M621 | G577-R581 VanDerWaalsContact CA-NH1 3.29Å; G577-R581 WeakPolarHBondContact O-CB 3.43Å; G577-R581 WeakPolarHBondContact O-CD 3.31Å; G577-R581 WeakPolarHBondContact O-CG 3.32Å; G577-R581 PolarHBondContact O-NH1 3.12Å; D578-R581 PolarHBondContact O-N 3.33Å; D578-R581 VanDerWaalsContact O-N 3.11Å; R581-M621 HydrophobicContact CB-CB 4.15Å |
| 582 | G | 93.3 | Very high | 98 | Very high | 5 Ų | 5 | 24 Ų | 24 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | 15.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L606 R617 | G582-L606 WeakPolarHBondContact O-CD1 3.24Å; G582-R617 WeakPolarHBondContact O-CD 3.4Å |
| 583 | A | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | trans | -52.3 | 139.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P172 D578 V586 F604 M621 | P172-A583 WeakPolarHBondContact CA-O 3.27Å; D578-A583 HydrophobicContact CB-CB 4.37Å; D578-A583 WeakPolarHBondContact O-CB 3.2Å; D578-A583 PolarHBondContact O-N 3.38Å; A583-V586 HydrophobicContact CB-CG1 3.6Å; A583-F604 HydrophobicContact CB-CB 4.35Å; A583-M621 HydrophobicContact CB-CG 4.38Å; A583-M621 HydrophobicContact CB-SD 3.69Å | ||
| 584 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -74.1 | -34.8 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | Q99 P172 R173 G605 L607 | Q99-T584 HydrophobicContact CB-CG2 3.59Å; Q99-T584 HydrophobicContact CG-CG2 3.7Å; Q99-T584 PolarHBondContact NE2-OG1 3.11Å; P172-T584 CarbonylContact C-O 3.5Å; P172-T584 WeakPolarHBondContact CA-O 3.28Å; R173-T584 HydrophobicContact CG-CG2 4.4Å; R173-T584 PolarHBondContact N-O 3.46Å; T584-G605 WeakPolarHBondContact CA-O 3.35Å; T584-G605 WeakPolarHBondContact CB-O 3.24Å; T584-G605 PolarHBondContact N-O 3.26Å; T584-L607 HydrophobicContact CG2-CB 4.47Å; T584-L607 PolarHBondContact OG1-N 3.15Å |
| 585 | W | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 158.5 | 163.2 | 67.3 | 96.8 | 0 | 0 | 0 | 110.5 | M103 M106 A174 S209 V539 F604 G605 | M103-W585 HydrophobicContact CG-CD2 4.02Å; M103-W585 HydrophobicContact CG-CE3 3.47Å; M103-W585 VanDerWaalsContact CG-CE3 3.47Å; M103-W585 HydrophobicContact CG-CH2 4.43Å; M103-W585 HydrophobicContact CG-CZ3 3.72Å; M103-W585 HydrophobicContact SD-CB 3.93Å; M103-W585 HydrophobicContact SD-CD2 4.19Å; M103-W585 HydrophobicContact SD-CE3 3.93Å; M103-W585 HydrophobicContact SD-CG 4.24Å; M106-W585 HydrophobicContact CG-CH2 4.08Å; M106-W585 HydrophobicContact CG-CZ2 4.47Å; A174-W585 HydrophobicContact CB-CB 3.99Å; A174-W585 VanDerWaalsContact O-CA 3.27Å; A174-W585 WeakPolarHBondContact O-CA 3.27Å; A174-W585 WeakPolarHBondContact O-CB 3.37Å; S209-W585 PolarHBondContact O-NE1 3.47Å; V539-W585 HydrophobicContact CG1-CH2 3.56Å; V539-W585 HydrophobicContact CG1-CZ2 4.37Å; V539-W585 HydrophobicContact CG1-CZ3 4.3Å; W585-F604 CarbonylContact O-C 3.53Å; W585-F604 VanDerWaalsContact O-CA 3.32Å; W585-F604 WeakPolarHBondContact O-CA 3.42Å; W585-G605 VanDerWaalsContact CE2-CA 3.49Å; W585-G605 PolarHBondContact N-O 3.43Å; W585-G605 PolarHBondContact O-N 3.43Å |
| 586 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.6 | 176.2 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | P172 A174 I175 I176 F575 D578 A579 A583 | P172-V586 HydrophobicContact CG-CG2 4.39Å; A174-V586 PolarHBondContact O-N 3.34Å; I175-V586 HydrophobicContact CB-CG2 4.48Å; I175-V586 HydrophobicContact CG1-CG2 4.15Å; I175-V586 HydrophobicContact CG2-CG2 4.29Å; I176-V586 WeakPolarHBondContact CB-O 3.21Å; I176-V586 PolarHBondContact N-O 3.01Å; F575-V586 HydrophobicContact CD2-CB 3.81Å; F575-V586 HydrophobicContact CD2-CG2 3.93Å; F575-V586 HydrophobicContact CE2-CB 3.82Å; F575-V586 HydrophobicContact CE2-CG2 3.49Å; F575-V586 VanDerWaalsContact CE2-CG2 3.49Å; F575-V586 HydrophobicContact CZ-CG2 4.16Å; D578-V586 HydrophobicContact CB-CG1 3.78Å; A579-V586 HydrophobicContact CB-CG1 4.16Å; A579-V586 HydrophobicContact CB-CG2 3.94Å; A583-V586 HydrophobicContact CB-CG1 3.6Å |
| 587 | A | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I176 S209 F575 G602 G603 | I176-A587 HydrophobicContact CB-CB 3.96Å; I176-A587 HydrophobicContact CD1-CB 4.46Å; I176-A587 HydrophobicContact CG2-CB 4.37Å; I176-A587 CarbonylContact O-C 3.21Å; I176-A587 VanDerWaalsContact O-CA 3.26Å; I176-A587 WeakPolarHBondContact O-CA 3.33Å; S209-A587 VanDerWaalsContact CB-CB 3.42Å; F575-A587 VanDerWaalsContact CD2-C 3.46Å; A587-G602 CarbonylContact O-C 3.21Å; A587-G602 WeakPolarHBondContact O-CA 3.43Å; A587-G603 PolarHBondContact N-O 2.86Å; A587-G603 PolarHBondContact O-N 2.89Å |
| 588 | L | 98.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 17 Ų | 17 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 120.7 | 169.7 | -172.1 | 67.8 | 0 | 0 | 0 | 110.1 | I176 T177 N178 M180 V572 F575 I600 | I176-L588 PolarHBondContact O-N 2.76Å; T177-L588 VanDerWaalsContact CA-O 3.3Å; T177-L588 WeakPolarHBondContact CA-O 3.28Å; N178-L588 PolarHBondContact N-O 3.24Å; M180-L588 HydrophobicContact CE-CG 4.25Å; M180-L588 HydrophobicContact SD-CD2 3.86Å; M180-L588 HydrophobicContact SD-CG 4.03Å; V572-L588 HydrophobicContact CG2-CD2 4.23Å; F575-L588 HydrophobicContact CB-CB 4.31Å; F575-L588 HydrophobicContact CB-CD1 4.13Å; F575-L588 HydrophobicContact CD1-CB 4.14Å; F575-L588 HydrophobicContact CD1-CD2 4.24Å; F575-L588 HydrophobicContact CD2-CB 3.75Å; F575-L588 HydrophobicContact CE1-CB 4.36Å; F575-L588 HydrophobicContact CE2-CB 3.97Å; F575-L588 HydrophobicContact CG-CB 3.81Å; F575-L588 HydrophobicContact CZ-CB 4.26Å; L588-I600 HydrophobicContact CD1-CG2 3.7Å; L588-I600 HydrophobicContact CG-CG2 4.29Å |
| 589 | H | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 155.9 | -173.4 | -61.8 | 178.3 | 0 | 0 | 0 | 111.8 | N178 M180 Q204 M205 S209 H544 N601 | N178-H589 PolarHBondContact ND2-CD2 2.86Å; N178-H589 PolarHBondContact ND2-NE2 3.24Å; N178-H589 CarbonylContact O-C 3.39Å; N178-H589 VanDerWaalsContact O-CA 3.28Å; N178-H589 WeakPolarHBondContact O-CA 3.35Å; M180-H589 WeakPolarHBondContact CE-O 2.97Å; Q204-H589 WeakPolarHBondContact O-CB 3.48Å; Q204-H589 PolarHBondContact O-ND1 2.96Å; M205-H589 PolarHBondContact O-CE1 3.25Å; M205-H589 PolarHBondContact O-ND1 3.36Å; M205-H589 VanDerWaalsContact O-ND1 3.16Å; S209-H589 PolarHBondContact N-CE1 2.8Å; H544-H589 AromaticContact CE1-CE1 3.65Å; H544-H589 AromaticContact CE1-CG 3.88Å; H544-H589 AromaticContact CE1-ND1 3.48Å; H544-H589 PolarHBondContact CE1-ND1 3.01Å; H544-H589 AromaticContact ND1-ND1 3.98Å; H589-N601 WeakPolarHBondContact CA-O 3.24Å; H589-N601 WeakPolarHBondContact CB-O 3.17Å; H589-N601 PolarHBondContact N-O 3.03Å; H589-N601 PolarHBondContact O-N 3.39Å; H589-N601 PolarHBondContact O-OD1 2.84Å; H589-N601 VanDerWaalsContact O-OD1 3.13Å |
| 590 | N | 98.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.5 | 171.5 | 178 | 1.3 | 0 | 0 | 0 | 109.7 | N178 G179 M180 S186 Y202 G597 V599 I600 | N178-N590 PolarHBondContact O-N 2.73Å; G179-N590 WeakPolarHBondContact O-CB 3.5Å; G179-N590 PolarHBondContact O-ND2 3.35Å; M180-N590 HydrophobicContact CE-CB 3.62Å; S186-N590 PolarHBondContact OG-ND2 3.4Å; Y202-N590 WeakPolarHBondContact CD2-O 3.15Å; Y202-N590 WeakPolarHBondContact CE2-O 3.4Å; N590-G597 WeakPolarHBondContact OD1-CA 3.13Å; N590-G597 PolarHBondContact OD1-N 2.97Å; N590-V599 WeakPolarHBondContact CA-O 3.5Å; N590-V599 PolarHBondContact OD1-O 2.9Å; N590-I600 HydrophobicContact CB-CD1 4.44Å |
| 591 | G | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 91.6 | 6.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y202 G593 G595 V599 | Y202-G591 WeakPolarHBondContact CE2-O 3.47Å; Y202-G591 PolarHBondContact OH-O 2.91Å; G591-G593 PolarHBondContact O-N 2.94Å; G591-G595 CarbonylContact C-O 3.56Å; G591-G595 VanDerWaalsContact CA-C 3.5Å; G591-G595 WeakPolarHBondContact CA-O 3.24Å; G591-G595 CarbonylContact O-C 3.54Å; G591-G595 VanDerWaalsContact O-CA 3.24Å; G591-G595 WeakPolarHBondContact O-CA 3.42Å; G591-G595 PolarHBondContact O-N 2.61Å; G591-V599 PolarHBondContact N-O 3.5Å |
| 592 | G | 94.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V594 V599 N601 | G592-V594 PolarHBondContact O-N 2.88Å; G592-V599 WeakPolarHBondContact O-CG1 3.31Å; G592-N601 WeakPolarHBondContact CA-OD1 3.3Å; G592-N601 PolarHBondContact N-OD1 3.18Å |
| 593 | G | 89 | Confident | 96.4 | Very high | 5 Ų | 5 | 8.3 Ų | 8.3 | 5% | 0.052 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -86.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R555 G591 | R555-G593 VanDerWaalsContact NH1-CA 3.33Å; G591-G593 PolarHBondContact O-N 2.94Å |
| 594 | V | 89.2 | Confident | 96.4 | Very high | 3 Ų | 3 | 8.4 Ų | 8.4 | 2% | 0.018 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -32.4 | -171.6 | -174.4 | 0 | 0 | 0 | 0 | 113 | H347 A406 L409 S552 F554 R555 G592 E598 V599 | H347-V594 WeakPolarHBondContact CA-O 3.49Å; H347-V594 WeakPolarHBondContact CB-O 3.16Å; A406-V594 HydrophobicContact CB-CG1 3.88Å; L409-V594 HydrophobicContact CD2-CG1 4.48Å; S552-V594 VanDerWaalsContact OG-CG2 3.31Å; S552-V594 WeakPolarHBondContact OG-CG2 3.37Å; F554-V594 HydrophobicContact CB-CG1 4.26Å; F554-V594 HydrophobicContact CB-CG2 4.27Å; F554-V594 HydrophobicContact CD2-CG1 4.37Å; R555-V594 HydrophobicContact CB-CG2 4.05Å; R555-V594 HydrophobicContact CG-CG2 3.45Å; R555-V594 VanDerWaalsContact CG-CG2 3.45Å; G592-V594 PolarHBondContact O-N 2.88Å; V594-E598 HydrophobicContact CB-CB 4.17Å; V594-E598 HydrophobicContact CG1-CB 3.91Å; V594-E598 HydrophobicContact CG1-CG 4.23Å; V594-V599 HydrophobicContact CB-CG2 3.69Å; V594-V599 HydrophobicContact CG2-CG2 3.87Å |
| 595 | G | 90.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 8.4 Ų | 8.4 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | trans | 131 | 163.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G591 G597 E598 | G591-G595 CarbonylContact C-O 3.56Å; G591-G595 VanDerWaalsContact CA-C 3.5Å; G591-G595 WeakPolarHBondContact CA-O 3.24Å; G591-G595 CarbonylContact O-C 3.54Å; G591-G595 VanDerWaalsContact O-CA 3.24Å; G591-G595 WeakPolarHBondContact O-CA 3.42Å; G591-G595 PolarHBondContact O-N 2.61Å; G595-G597 PolarHBondContact O-N 3.45Å; G595-E598 WeakPolarHBondContact O-CB 3.3Å; G595-E598 PolarHBondContact O-N 2.9Å | ||
| 596 | W | 94.7 | Very high | 96.4 | Very high | 11 Ų | 11 | 8.4 Ų | 8.4 | 4% | 0.042 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128.6 | -176.2 | -175.9 | -83.7 | 0 | 0 | 0 | 113.4 | V181 S186 S187 R188 Y191 M194 Y202 E598 | V181-W596 HydrophobicContact CG2-CH2 4.26Å; V181-W596 HydrophobicContact CG2-CZ2 3.7Å; S186-W596 PolarHBondContact O-NE1 2.82Å; S186-W596 PolarHBondContact OG-NE1 3.29Å; S187-W596 PolarHBondContact O-NE1 3.22Å; R188-W596 HydrophobicContact CG-CB 4.38Å; Y191-W596 AromaticContact CD2-CD2 4Å; Y191-W596 HydrophobicContact CD2-CD2 4Å; Y191-W596 AromaticContact CD2-CE3 3.62Å; Y191-W596 HydrophobicContact CD2-CE3 3.62Å; Y191-W596 AromaticContact CD2-CH2 3.72Å; Y191-W596 HydrophobicContact CD2-CH2 3.72Å; Y191-W596 HydrophobicContact CD2-CZ2 4.13Å; Y191-W596 AromaticContact CD2-CZ3 3.48Å; Y191-W596 HydrophobicContact CD2-CZ3 3.48Å; Y191-W596 VanDerWaalsContact CD2-CZ3 3.48Å; Y191-W596 HydrophobicContact CE2-CE3 4.21Å; Y191-W596 HydrophobicContact CE2-CZ3 4.01Å; Y191-W596 AromaticContact CG-CD2 3.92Å; Y191-W596 HydrophobicContact CG-CD2 3.92Å; Y191-W596 AromaticContact CG-CE3 3.98Å; Y191-W596 HydrophobicContact CG-CE3 3.98Å; Y191-W596 HydrophobicContact CG-CG 4.3Å; Y191-W596 HydrophobicContact CG-CH2 4.45Å; Y191-W596 HydrophobicContact CG-CZ2 4.45Å; Y191-W596 HydrophobicContact CG-CZ3 4.26Å; M194-W596 HydrophobicContact CE-CZ2 3.99Å; Y202-W596 AromaticContact CD2-CE3 3.99Å; Y202-W596 HydrophobicContact CD2-CE3 3.99Å; W596-E598 VanDerWaalsContact C-N 3.29Å; W596-E598 PolarHBondContact O-N 2.98Å |
| 597 | G | 95.2 | Very high | 96.4 | Very high | 38 Ų | 38 | 8.6 Ų | 8.6 | 39% | 0.392 | 5% | 0.054 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -10.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | S186 N590 G595 | S186-G597 WeakPolarHBondContact OG-CA 3.41Å; N590-G597 WeakPolarHBondContact OD1-CA 3.13Å; N590-G597 PolarHBondContact OD1-N 2.97Å; G595-G597 PolarHBondContact O-N 3.45Å |
| 598 | E | 94.7 | Very high | 96.4 | Very high | 50 Ų | 50 | 8.6 Ų | 8.6 | 23% | 0.234 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -97.1 | -9.3 | -176.9 | -55.4 | -68.6 | 176.6 | 0 | 0 | 112.9 | R413 F554 V594 G595 W596 | R413-E598 IonicContact CZ-OE1 2.71Å; R413-E598 IonicContact NH1-OE1 3.3Å; R413-E598 IonicContact NH2-OE1 3.66Å; R413-E598 PolarHBondContact NH2-OE1 3.04Å; F554-E598 WeakPolarHBondContact CE2-OE2 3.36Å; V594-E598 HydrophobicContact CB-CB 4.17Å; V594-E598 HydrophobicContact CG1-CB 3.91Å; V594-E598 HydrophobicContact CG1-CG 4.23Å; G595-E598 WeakPolarHBondContact O-CB 3.3Å; G595-E598 PolarHBondContact O-N 2.9Å; W596-E598 VanDerWaalsContact C-N 3.29Å; W596-E598 PolarHBondContact O-N 2.98Å |
| 599 | V | 96.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.024 | 6% | 0.064 | C | C | . | . | trans | -148 | 142.9 | -168.2 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | T550 D551 S552 N590 G591 G592 V594 N601 | T550-V599 HydrophobicContact CG2-CG1 3.44Å; T550-V599 VanDerWaalsContact CG2-CG1 3.44Å; D551-V599 WeakPolarHBondContact O-CG1 3.48Å; S552-V599 WeakPolarHBondContact OG-CG2 3.15Å; N590-V599 WeakPolarHBondContact CA-O 3.5Å; N590-V599 PolarHBondContact OD1-O 2.9Å; G591-V599 PolarHBondContact N-O 3.5Å; G592-V599 WeakPolarHBondContact O-CG1 3.31Å; V594-V599 HydrophobicContact CB-CG2 3.69Å; V594-V599 HydrophobicContact CG2-CG2 3.87Å; V599-N601 HydrophobicContact CG1-CB 3.89Å | ||
| 600 | I | 98.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 11.2 Ų | 11.2 | 21% | 0.205 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.4 | 159.9 | -59.3 | -63.2 | 0 | 0 | 0 | 108.2 | M180 T550 D551 A568 A571 V572 L588 N590 | M180-I600 HydrophobicContact CE-CD1 4.26Å; T550-I600 WeakPolarHBondContact CA-O 3.37Å; D551-I600 PolarHBondContact N-O 2.84Å; D551-I600 PolarHBondContact O-N 3.05Å; D551-I600 VanDerWaalsContact O-N 3.09Å; A568-I600 HydrophobicContact CB-CB 3.98Å; A568-I600 HydrophobicContact CB-CG1 3.77Å; A568-I600 HydrophobicContact CB-CG2 4.42Å; A571-I600 HydrophobicContact CB-CB 4.39Å; A571-I600 HydrophobicContact CB-CG2 3.92Å; A571-I600 VanDerWaalsContact CB-O 3.3Å; A571-I600 WeakPolarHBondContact CB-O 3.25Å; V572-I600 HydrophobicContact CG2-CG2 4.5Å; L588-I600 HydrophobicContact CD1-CG2 3.7Å; L588-I600 HydrophobicContact CG-CG2 4.29Å; N590-I600 HydrophobicContact CB-CD1 4.44Å |
| 601 | N | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.7 | -169 | 61.8 | -69.7 | 0 | 0 | 0 | 112.7 | Q204 H544 G549 T550 H589 G592 V599 | Q204-N601 PolarHBondContact O-ND2 3.29Å; H544-N601 HydrophobicContact CB-CB 3.92Å; H544-N601 PolarHBondContact ND1-ND2 3.04Å; H544-N601 PolarHBondContact ND1-O 3.27Å; G549-N601 CarbonylContact O-C 3.56Å; G549-N601 WeakPolarHBondContact O-CA 3.46Å; T550-N601 HydrophobicContact CG2-CB 3.73Å; T550-N601 WeakPolarHBondContact OG1-CB 3.48Å; H589-N601 WeakPolarHBondContact CA-O 3.24Å; H589-N601 WeakPolarHBondContact CB-O 3.17Å; H589-N601 PolarHBondContact N-O 3.03Å; H589-N601 PolarHBondContact O-N 3.39Å; H589-N601 PolarHBondContact O-OD1 2.84Å; H589-N601 VanDerWaalsContact O-OD1 3.13Å; G592-N601 WeakPolarHBondContact CA-OD1 3.3Å; G592-N601 PolarHBondContact N-OD1 3.18Å; V599-N601 HydrophobicContact CG1-CB 3.89Å |
| 602 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R542 H544 G549 A587 | R542-G602 PolarHBondContact NH1-O 3.09Å; R542-G602 PolarHBondContact NH2-O 3.22Å; H544-G602 WeakPolarHBondContact CB-O 3.45Å; H544-G602 VanDerWaalsContact CG-C 3.5Å; H544-G602 VanDerWaalsContact CG-O 3.3Å; H544-G602 PolarHBondContact ND1-N 3.22Å; G549-G602 PolarHBondContact O-N 3.07Å; A587-G602 CarbonylContact O-C 3.21Å; A587-G602 WeakPolarHBondContact O-CA 3.43Å |
| 603 | G | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A587 | A587-G603 PolarHBondContact N-O 2.86Å; A587-G603 PolarHBondContact O-N 2.89Å |
| 604 | F | 98.8 | Very high | 97 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.013 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 164.8 | -175.7 | 74.4 | -92.9 | 0 | 0 | 0 | 111.4 | I540 S541 R542 A583 W585 L606 M621 L622 D625 | I540-F604 HydrophobicContact CG2-CE2 4.23Å; I540-F604 HydrophobicContact CG2-CZ 4.37Å; S541-F604 WeakPolarHBondContact CB-O 3.38Å; S541-F604 PolarHBondContact OG-O 2.68Å; R542-F604 HydrophobicContact CG-CD1 4.09Å; R542-F604 HydrophobicContact CG-CE1 3.63Å; R542-F604 HydrophobicContact CG-CZ 4.33Å; A583-F604 HydrophobicContact CB-CB 4.35Å; W585-F604 CarbonylContact O-C 3.53Å; W585-F604 VanDerWaalsContact O-CA 3.32Å; W585-F604 WeakPolarHBondContact O-CA 3.42Å; F604-L606 HydrophobicContact CD2-CB 4.14Å; F604-L606 HydrophobicContact CE2-CB 4.1Å; F604-M621 HydrophobicContact CB-SD 4.39Å; F604-M621 HydrophobicContact CD1-CE 4.04Å; F604-M621 HydrophobicContact CD2-CE 3.38Å; F604-M621 HydrophobicContact CD2-SD 3.62Å; F604-M621 HydrophobicContact CE1-CE 3.82Å; F604-M621 HydrophobicContact CE2-CE 3.17Å; F604-M621 HydrophobicContact CE2-SD 4.05Å; F604-M621 HydrophobicContact CG-CE 3.85Å; F604-M621 HydrophobicContact CG-SD 3.93Å; F604-M621 HydrophobicContact CZ-CE 3.41Å; F604-M621 VanDerWaalsContact CZ-CE 3.41Å; F604-L622 HydrophobicContact CE1-CD2 4.42Å; F604-L622 HydrophobicContact CE2-CD2 4.49Å; F604-L622 HydrophobicContact CZ-CD2 3.8Å; F604-D625 WeakPolarHBondContact CE1-OD2 3.47Å |
| 605 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I540 T584 W585 | I540-G605 CarbonylContact O-C 3.23Å; I540-G605 WeakPolarHBondContact O-CA 3.12Å; T584-G605 WeakPolarHBondContact CA-O 3.35Å; T584-G605 WeakPolarHBondContact CB-O 3.24Å; T584-G605 PolarHBondContact N-O 3.26Å; W585-G605 VanDerWaalsContact CE2-CA 3.49Å; W585-G605 PolarHBondContact N-O 3.43Å; W585-G605 PolarHBondContact O-N 3.43Å |
| 606 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 119.9 | -176.8 | -178.3 | 72.6 | 0 | 0 | 0 | 110.1 | V539 I540 G582 F604 L608 R617 A618 M621 | V539-L606 CarbonylContact C-O 3.6Å; V539-L606 WeakPolarHBondContact CA-O 3.03Å; I540-L606 PolarHBondContact N-O 3.08Å; I540-L606 PolarHBondContact O-N 3.47Å; G582-L606 WeakPolarHBondContact O-CD1 3.24Å; F604-L606 HydrophobicContact CD2-CB 4.14Å; F604-L606 HydrophobicContact CE2-CB 4.1Å; L606-L608 HydrophobicContact CD2-CD2 4.25Å; L606-R617 HydrophobicContact CD1-CB 4.19Å; L606-A618 VanDerWaalsContact CD2-CA 3.47Å; L606-A618 HydrophobicContact CD2-CB 3.68Å; L606-M621 HydrophobicContact CB-CE 4.41Å; L606-M621 HydrophobicContact CB-SD 4.31Å; L606-M621 HydrophobicContact CD1-SD 4.41Å; L606-M621 HydrophobicContact CD2-CE 4.11Å; L606-M621 HydrophobicContact CD2-SD 4.35Å |
| 607 | L | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.7 | 175.5 | -171.6 | 68.6 | 0 | 0 | 0 | 110.9 | R98 Q99 A102 T454 P537 V539 T584 D609 | R98-L607 HydrophobicContact CB-CD2 4.05Å; Q99-L607 HydrophobicContact CB-CD2 4.45Å; Q99-L607 HydrophobicContact CG-CB 4.32Å; Q99-L607 HydrophobicContact CG-CD2 3.88Å; A102-L607 HydrophobicContact CB-CD1 3.78Å; A102-L607 HydrophobicContact CB-CD2 4.42Å; T454-L607 HydrophobicContact CG2-CD1 4.45Å; P537-L607 HydrophobicContact CB-CD1 3.64Å; P537-L607 HydrophobicContact CB-CD2 4.46Å; P537-L607 HydrophobicContact CB-CG 4.14Å; V539-L607 HydrophobicContact CG2-CD1 3.78Å; T584-L607 HydrophobicContact CG2-CB 4.47Å; T584-L607 PolarHBondContact OG1-N 3.15Å; L607-D609 HydrophobicContact CD2-CB 4.44Å |
| 608 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 103.3 | 168.2 | -56.3 | -178.8 | 0 | 0 | 0 | 108.5 | A522 I525 N526 P537 V538 I540 L606 A618 | A522-L608 HydrophobicContact CB-CD1 4.22Å; A522-L608 VanDerWaalsContact O-CD1 3.27Å; A522-L608 WeakPolarHBondContact O-CD1 3.36Å; I525-L608 HydrophobicContact CB-CD1 4.11Å; I525-L608 HydrophobicContact CG2-CD1 3.85Å; N526-L608 HydrophobicContact CB-CB 4.2Å; N526-L608 HydrophobicContact CB-CD1 4.37Å; N526-L608 HydrophobicContact CB-CD2 4.35Å; N526-L608 WeakPolarHBondContact OD1-CB 3.43Å; P537-L608 CarbonylContact C-O 3.58Å; P537-L608 WeakPolarHBondContact CA-O 3.36Å; P537-L608 WeakPolarHBondContact CB-O 3.25Å; V538-L608 PolarHBondContact N-O 3.05Å; V538-L608 WeakPolarHBondContact O-CB 3.27Å; V538-L608 PolarHBondContact O-N 3.5Å; I540-L608 HydrophobicContact CD1-CD1 3.76Å; I540-L608 HydrophobicContact CG1-CD1 3.39Å; I540-L608 HydrophobicContact CG1-CD2 4.48Å; I540-L608 HydrophobicContact CG1-CG 3.78Å; L606-L608 HydrophobicContact CD2-CD2 4.25Å; L608-A618 HydrophobicContact CD2-CB 4.01Å |
| 609 | D | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | trans | -104.2 | 8.2 | -175.3 | 66.2 | -3.4 | 0 | 0 | 0 | 113.7 | N526 P537 L607 S611 A614 | N526-D609 PolarHBondContact OD1-N 3.2Å; P537-D609 HydrophobicContact CB-CB 4.38Å; P537-D609 HydrophobicContact CG-CB 4.23Å; L607-D609 HydrophobicContact CD2-CB 4.44Å; D609-S611 VanDerWaalsContact C-N 3.32Å; D609-S611 WeakPolarHBondContact OD1-CB 3.44Å; D609-S611 PolarHBondContact OD1-N 3.34Å; D609-S611 PolarHBondContact OD1-OG 3.36Å; D609-A614 VanDerWaalsContact OD1-CB 3.29Å; D609-A614 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 610 | G | 98.6 | Very high | 98.4 | Very high | 16 Ų | 16 | 35 Ų | 35 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 87 | -4.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N526 A530 | N526-G610 WeakPolarHBondContact O-CA 3.39Å; N526-G610 WeakPolarHBondContact OD1-CA 3.46Å; N526-G610 PolarHBondContact OD1-N 2.95Å; A530-G610 WeakPolarHBondContact CB-O 3.3Å |
| 611 | S | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | trans | -77.9 | 153.5 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | N526 D609 E613 A614 A615 | N526-S611 PolarHBondContact ND2-O 3.08Å; D609-S611 VanDerWaalsContact C-N 3.32Å; D609-S611 WeakPolarHBondContact OD1-CB 3.44Å; D609-S611 PolarHBondContact OD1-N 3.34Å; D609-S611 PolarHBondContact OD1-OG 3.36Å; S611-E613 PolarHBondContact O-N 3.34Å; S611-A614 PolarHBondContact O-N 3.08Å; S611-A614 WeakPolarHBondContact OG-CB 3.46Å; S611-A614 PolarHBondContact OG-N 3.41Å; S611-A615 PolarHBondContact O-N 3Å; S611-A615 VanDerWaalsContact O-N 3.16Å | ||
| 612 | D | 98.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 33.1 Ų | 33.1 | 70% | 0.701 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -58.9 | -30.7 | 168.9 | -73.1 | -23.6 | 0 | 0 | 0 | 112 | A615 K616 | D612-A615 WeakPolarHBondContact O-CB 3.43Å; D612-A615 PolarHBondContact O-N 3.24Å; D612-K616 WeakPolarHBondContact O-CG 3.04Å; D612-K616 PolarHBondContact O-N 2.91Å |
| 613 | E | 97.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 35.1 Ų | 35.1 | 34% | 0.341 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.6 | -43.2 | 179.5 | 179.8 | 54.8 | -154.7 | 0 | 0 | 111.2 | S611 A615 K616 R617 | S611-E613 PolarHBondContact O-N 3.34Å; E613-A615 VanDerWaalsContact C-N 3.28Å; E613-A615 PolarHBondContact O-N 3.39Å; E613-K616 PolarHBondContact O-N 3.06Å; E613-R617 VanDerWaalsContact O-CG 3.31Å; E613-R617 WeakPolarHBondContact O-CG 3.12Å; E613-R617 PolarHBondContact O-N 2.73Å; E613-R617 IonicContact OE1-CZ 3.85Å; E613-R617 IonicContact OE1-NE 3.37Å; E613-R617 PolarHBondContact OE1-NE 3.15Å; E613-R617 IonicContact OE1-NH2 3.79Å; E613-R617 PolarHBondContact OE1-NH2 3.45Å |
| 614 | A | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D609 S611 R617 A618 | D609-A614 VanDerWaalsContact OD1-CB 3.29Å; D609-A614 WeakPolarHBondContact OD1-CB 3.47Å; S611-A614 PolarHBondContact O-N 3.08Å; S611-A614 WeakPolarHBondContact OG-CB 3.46Å; S611-A614 PolarHBondContact OG-N 3.41Å; A614-R617 PolarHBondContact O-N 3Å; A614-A618 VanDerWaalsContact O-CB 3.32Å; A614-A618 WeakPolarHBondContact O-CB 3.48Å; A614-A618 PolarHBondContact O-N 3.28Å |
| 615 | A | 98.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L523 S611 D612 E613 R619 | L523-A615 HydrophobicContact CD2-CB 3.69Å; S611-A615 PolarHBondContact O-N 3Å; S611-A615 VanDerWaalsContact O-N 3.16Å; D612-A615 WeakPolarHBondContact O-CB 3.43Å; D612-A615 PolarHBondContact O-N 3.24Å; E613-A615 VanDerWaalsContact C-N 3.28Å; E613-A615 PolarHBondContact O-N 3.39Å; A615-R619 WeakPolarHBondContact O-CB 3.46Å; A615-R619 PolarHBondContact O-N 2.92Å |
| 616 | K | 98.4 | Very high | 98.3 | Very high | 135 Ų | 135 | 37.6 Ų | 37.6 | 59% | 0.587 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.9 | -46.4 | 175.4 | -73.3 | 170 | -172.8 | 170.5 | 0 | 111.8 | D612 E613 R619 S620 | D612-K616 WeakPolarHBondContact O-CG 3.04Å; D612-K616 PolarHBondContact O-N 2.91Å; E613-K616 PolarHBondContact O-N 3.06Å; K616-R619 PolarHBondContact O-N 3.4Å; K616-S620 WeakPolarHBondContact O-CB 3.38Å; K616-S620 PolarHBondContact O-N 2.95Å |
| 617 | R | 98.1 | Very high | 98.3 | Very high | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 177 | -65.2 | 175.4 | -158.6 | 169.6 | 2 | 111.5 | Q99 G582 L606 E613 A614 R619 S620 M621 | Q99-R617 VanDerWaalsContact NE2-NH1 3.15Å; G582-R617 WeakPolarHBondContact O-CD 3.4Å; L606-R617 HydrophobicContact CD1-CB 4.19Å; E613-R617 VanDerWaalsContact O-CG 3.31Å; E613-R617 WeakPolarHBondContact O-CG 3.12Å; E613-R617 PolarHBondContact O-N 2.73Å; E613-R617 IonicContact OE1-CZ 3.85Å; E613-R617 IonicContact OE1-NE 3.37Å; E613-R617 PolarHBondContact OE1-NE 3.15Å; E613-R617 IonicContact OE1-NH2 3.79Å; E613-R617 PolarHBondContact OE1-NH2 3.45Å; A614-R617 PolarHBondContact O-N 3Å; R617-R619 VanDerWaalsContact C-N 3.34Å; R617-R619 PolarHBondContact O-N 3.34Å; R617-S620 PolarHBondContact O-N 3.47Å; R617-M621 VanDerWaalsContact O-CB 3.29Å; R617-M621 WeakPolarHBondContact O-CB 3.37Å; R617-M621 PolarHBondContact O-N 2.97Å |
| 618 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A522 L606 L608 A614 L622 | A522-A618 HydrophobicContact CB-CB 4.22Å; L606-A618 VanDerWaalsContact CD2-CA 3.47Å; L606-A618 HydrophobicContact CD2-CB 3.68Å; L608-A618 HydrophobicContact CD2-CB 4.01Å; A614-A618 VanDerWaalsContact O-CB 3.32Å; A614-A618 WeakPolarHBondContact O-CB 3.48Å; A614-A618 PolarHBondContact O-N 3.28Å; A618-L622 HydrophobicContact CB-CD1 4.49Å; A618-L622 VanDerWaalsContact O-CB 3.23Å; A618-L622 WeakPolarHBondContact O-CB 3.25Å; A618-L622 VanDerWaalsContact O-CG 3.27Å; A618-L622 WeakPolarHBondContact O-CG 3.4Å; A618-L622 PolarHBondContact O-N 3.36Å |
| 619 | R | 98.1 | Very high | 98.2 | Very high | 127 Ų | 127 | 38.9 Ų | 38.9 | 48% | 0.479 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 177 | -169.5 | -174.2 | -55.7 | -80.8 | 1.2 | 111.8 | V519 A615 K616 R617 N623 | V519-R619 HydrophobicContact CG1-CG 4.28Å; A615-R619 WeakPolarHBondContact O-CB 3.46Å; A615-R619 PolarHBondContact O-N 2.92Å; K616-R619 PolarHBondContact O-N 3.4Å; R617-R619 VanDerWaalsContact C-N 3.34Å; R617-R619 PolarHBondContact O-N 3.34Å; R619-N623 VanDerWaalsContact O-CB 3.28Å; R619-N623 WeakPolarHBondContact O-CB 3.35Å; R619-N623 PolarHBondContact O-N 2.96Å; R619-N623 PolarHBondContact O-ND2 2.85Å |
| 620 | S | 97.8 | Very high | 98.2 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.8 | -51.2 | -177.4 | -168.2 | 0 | 0 | 0 | 0 | 112 | K616 R617 W624 | K616-S620 WeakPolarHBondContact O-CB 3.38Å; K616-S620 PolarHBondContact O-N 2.95Å; R617-S620 PolarHBondContact O-N 3.47Å; S620-W624 PolarHBondContact O-N 2.89Å |
| 621 | M | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.4 | -50 | -175.9 | -172.1 | -150.9 | 78 | 0 | 0 | 111.9 | D578 R581 A583 F604 L606 R617 N623 W624 D625 | D578-M621 HydrophobicContact CB-CG 4.26Å; R581-M621 HydrophobicContact CB-CB 4.15Å; A583-M621 HydrophobicContact CB-CG 4.38Å; A583-M621 HydrophobicContact CB-SD 3.69Å; F604-M621 HydrophobicContact CB-SD 4.39Å; F604-M621 HydrophobicContact CD1-CE 4.04Å; F604-M621 HydrophobicContact CD2-CE 3.38Å; F604-M621 HydrophobicContact CD2-SD 3.62Å; F604-M621 HydrophobicContact CE1-CE 3.82Å; F604-M621 HydrophobicContact CE2-CE 3.17Å; F604-M621 HydrophobicContact CE2-SD 4.05Å; F604-M621 HydrophobicContact CG-CE 3.85Å; F604-M621 HydrophobicContact CG-SD 3.93Å; F604-M621 HydrophobicContact CZ-CE 3.41Å; F604-M621 VanDerWaalsContact CZ-CE 3.41Å; L606-M621 HydrophobicContact CB-CE 4.41Å; L606-M621 HydrophobicContact CB-SD 4.31Å; L606-M621 HydrophobicContact CD1-SD 4.41Å; L606-M621 HydrophobicContact CD2-CE 4.11Å; L606-M621 HydrophobicContact CD2-SD 4.35Å; R617-M621 VanDerWaalsContact O-CB 3.29Å; R617-M621 WeakPolarHBondContact O-CB 3.37Å; R617-M621 PolarHBondContact O-N 2.97Å; M621-N623 VanDerWaalsContact C-N 3.28Å; M621-N623 PolarHBondContact O-N 3.26Å; M621-W624 PolarHBondContact O-N 3.06Å; M621-D625 WeakPolarHBondContact O-CB 3.15Å; M621-D625 PolarHBondContact O-N 2.9Å |
| 622 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.3 | -28.2 | -176.9 | -65.5 | 170.6 | 0 | 0 | 0 | 113 | F449 R518 V519 A522 F604 A618 V626 | F449-L622 HydrophobicContact CE2-CD1 4.29Å; F449-L622 HydrophobicContact CE2-CD2 4.43Å; R518-L622 HydrophobicContact CB-CD1 4.3Å; R518-L622 HydrophobicContact CB-CD2 4.46Å; V519-L622 HydrophobicContact CG2-CB 3.78Å; V519-L622 HydrophobicContact CG2-CD1 4.48Å; A522-L622 HydrophobicContact CB-CD1 3.67Å; F604-L622 HydrophobicContact CE1-CD2 4.42Å; F604-L622 HydrophobicContact CE2-CD2 4.49Å; F604-L622 HydrophobicContact CZ-CD2 3.8Å; A618-L622 HydrophobicContact CB-CD1 4.49Å; A618-L622 VanDerWaalsContact O-CB 3.23Å; A618-L622 WeakPolarHBondContact O-CB 3.25Å; A618-L622 VanDerWaalsContact O-CG 3.27Å; A618-L622 WeakPolarHBondContact O-CG 3.4Å; A618-L622 PolarHBondContact O-N 3.36Å; L622-V626 PolarHBondContact O-N 3.21Å |
| 623 | N | 97.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 30.4 Ų | 30.4 | 23% | 0.225 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -45 | 170.9 | -81.4 | -25.2 | 0 | 0 | 0 | 111.2 | Q515 R619 M621 S627 | Q515-N623 PolarHBondContact NE2-OD1 2.7Å; R619-N623 VanDerWaalsContact O-CB 3.28Å; R619-N623 WeakPolarHBondContact O-CB 3.35Å; R619-N623 PolarHBondContact O-N 2.96Å; R619-N623 PolarHBondContact O-ND2 2.85Å; M621-N623 VanDerWaalsContact C-N 3.28Å; M621-N623 PolarHBondContact O-N 3.26Å; N623-S627 WeakPolarHBondContact O-CB 3.41Å; N623-S627 PolarHBondContact O-N 3.18Å; N623-S627 PolarHBondContact O-OG 2.95Å |
| 624 | W | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 27 Ų | 27 | 21% | 0.205 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.9 | -50.6 | 177.7 | 166.7 | -100.6 | 0 | 0 | 0 | 112.6 | Q573 N574 G577 S620 M621 V626 S627 N628 | Q573-W624 HydrophobicContact CB-CZ2 4.36Å; Q573-W624 WeakPolarHBondContact O-CZ2 3.29Å; N574-W624 PolarHBondContact O-NE1 3.05Å; G577-W624 VanDerWaalsContact C-CD1 3.47Å; G577-W624 VanDerWaalsContact CA-NE1 3.3Å; S620-W624 PolarHBondContact O-N 2.89Å; M621-W624 PolarHBondContact O-N 3.06Å; W624-V626 PolarHBondContact O-N 2.86Å; W624-S627 PolarHBondContact O-N 3.29Å; W624-N628 HydrophobicContact CD2-CB 4.13Å; W624-N628 HydrophobicContact CE3-CB 4.16Å; W624-N628 HydrophobicContact CH2-CB 3.88Å; W624-N628 HydrophobicContact CZ2-CB 3.84Å; W624-N628 HydrophobicContact CZ3-CB 4.04Å; W624-N628 VanDerWaalsContact O-CB 3.27Å; W624-N628 WeakPolarHBondContact O-CB 3.46Å; W624-N628 PolarHBondContact O-N 3.32Å |
| 625 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.5 | -26.7 | -176.5 | -176.4 | 61.1 | 0 | 0 | 0 | 112.5 | R518 R542 S548 N574 F604 M621 | R518-D625 IonicContact NH1-OD2 3.9Å; R518-D625 PolarHBondContact NH1-OD2 3.16Å; R542-D625 IonicContact CZ-OD1 3.27Å; R542-D625 IonicContact CZ-OD2 3.61Å; R542-D625 IonicContact NE-OD1 3.76Å; R542-D625 PolarHBondContact NE-OD1 3.08Å; R542-D625 IonicContact NE-OD2 2.75Å; R542-D625 PolarHBondContact NE-OD2 3.16Å; R542-D625 IonicContact NH2-OD1 3.54Å; R542-D625 PolarHBondContact NH2-OD1 3.23Å; R542-D625 IonicContact NH2-OD2 3.74Å; S548-D625 WeakPolarHBondContact CB-O 3.33Å; S548-D625 PolarHBondContact OG-O 3.48Å; N574-D625 PolarHBondContact ND2-OD1 3.31Å; F604-D625 WeakPolarHBondContact CE1-OD2 3.47Å; M621-D625 WeakPolarHBondContact O-CB 3.15Å; M621-D625 PolarHBondContact O-N 2.9Å |
| 626 | V | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -95.9 | -51.1 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | Q515 V547 S548 L622 W624 N628 G629 V630 | Q515-V626 HydrophobicContact CB-CB 3.91Å; Q515-V626 HydrophobicContact CB-CG1 3.72Å; Q515-V626 HydrophobicContact CB-CG2 4.37Å; Q515-V626 HydrophobicContact CG-CB 4.37Å; V547-V626 HydrophobicContact CG1-CG1 4.19Å; S548-V626 PolarHBondContact OG-O 3.32Å; L622-V626 PolarHBondContact O-N 3.21Å; W624-V626 PolarHBondContact O-N 2.86Å; V626-N628 VanDerWaalsContact C-N 3.27Å; V626-N628 PolarHBondContact O-N 3.48Å; V626-G629 PolarHBondContact O-N 3.37Å; V626-V630 HydrophobicContact CG1-CG2 4.12Å; V626-V630 WeakPolarHBondContact O-CG2 3.23Å; V626-V630 PolarHBondContact O-N 2.79Å |
| 627 | S | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -29.8 | -172.6 | -70.2 | 0 | 0 | 0 | 0 | 113.6 | Q515 N623 W624 V630 A631 | Q515-S627 PolarHBondContact OE1-OG 2.97Å; N623-S627 WeakPolarHBondContact O-CB 3.41Å; N623-S627 PolarHBondContact O-N 3.18Å; N623-S627 PolarHBondContact O-OG 2.95Å; W624-S627 PolarHBondContact O-N 3.29Å; S627-V630 PolarHBondContact O-N 3.46Å; S627-A631 VanDerWaalsContact O-CB 3.24Å; S627-A631 WeakPolarHBondContact O-CB 3.41Å; S627-A631 PolarHBondContact O-N 3.27Å |
| 628 | N | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.4 | -55.2 | 178.1 | 174.5 | 36.3 | 0 | 0 | 0 | 111.6 | M570 N574 W624 V626 A631 R632 | M570-N628 PolarHBondContact O-ND2 3.19Å; N574-N628 WeakPolarHBondContact CB-ND2 3.42Å; N574-N628 PolarHBondContact OD1-ND2 3.08Å; W624-N628 HydrophobicContact CD2-CB 4.13Å; W624-N628 HydrophobicContact CE3-CB 4.16Å; W624-N628 HydrophobicContact CH2-CB 3.88Å; W624-N628 HydrophobicContact CZ2-CB 3.84Å; W624-N628 HydrophobicContact CZ3-CB 4.04Å; W624-N628 VanDerWaalsContact O-CB 3.27Å; W624-N628 WeakPolarHBondContact O-CB 3.46Å; W624-N628 PolarHBondContact O-N 3.32Å; V626-N628 VanDerWaalsContact C-N 3.27Å; V626-N628 PolarHBondContact O-N 3.48Å; N628-A631 PolarHBondContact O-N 3.44Å; N628-R632 PolarHBondContact O-N 3.06Å |
| 629 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.2 | -34.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S548 V626 R632 R633 | S548-G629 WeakPolarHBondContact OG-CA 3.43Å; S548-G629 PolarHBondContact OG-N 3.44Å; V626-G629 PolarHBondContact O-N 3.37Å; G629-R632 PolarHBondContact O-N 3.09Å; G629-R633 VanDerWaalsContact O-CB 3.31Å; G629-R633 WeakPolarHBondContact O-CB 3.17Å; G629-R633 WeakPolarHBondContact O-CG 3.3Å; G629-R633 PolarHBondContact O-N 3.42Å |
| 630 | V | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 110 | V547 V626 S627 R632 R633 C634 A641 T644 I645 | V547-V630 HydrophobicContact CG2-CG2 3.88Å; V626-V630 HydrophobicContact CG1-CG2 4.12Å; V626-V630 WeakPolarHBondContact O-CG2 3.23Å; V626-V630 PolarHBondContact O-N 2.79Å; S627-V630 PolarHBondContact O-N 3.46Å; V630-R632 PolarHBondContact O-N 2.93Å; V630-R633 PolarHBondContact O-N 2.84Å; V630-C634 WeakPolarHBondContact O-CB 3.48Å; V630-C634 PolarHBondContact O-N 3.12Å; V630-A641 HydrophobicContact CG1-CB 4.15Å; V630-A641 WeakPolarHBondContact O-CB 3.27Å; V630-T644 HydrophobicContact CG1-CG2 3.83Å; V630-T644 HydrophobicContact CG2-CG2 4.5Å; V630-I645 HydrophobicContact CB-CD1 4.5Å; V630-I645 HydrophobicContact CG1-CB 3.94Å; V630-I645 HydrophobicContact CG1-CD1 4.4Å |
| 631 | A | 98.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | S627 N628 C634 W635 I645 V657 | S627-A631 VanDerWaalsContact O-CB 3.24Å; S627-A631 WeakPolarHBondContact O-CB 3.41Å; S627-A631 PolarHBondContact O-N 3.27Å; N628-A631 PolarHBondContact O-N 3.44Å; A631-C634 WeakPolarHBondContact O-CB 3.39Å; A631-C634 PolarHBondContact O-N 2.79Å; A631-W635 PolarHBondContact O-N 3Å; A631-I645 HydrophobicContact CB-CD1 4.1Å; A631-I645 HydrophobicContact CB-CG1 4.11Å; A631-V657 HydrophobicContact CB-CB 4.35Å; A631-V657 HydrophobicContact CB-CG1 3.94Å |
| 632 | R | 98.2 | Very high | 96.8 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 174.5 | -175.6 | -82.2 | 179.7 | 105.8 | 1.3 | 111.3 | D551 S564 M570 N628 G629 V630 C634 W635 S636 | D551-R632 IonicContact OD1-CZ 3.73Å; D551-R632 IonicContact OD1-NH1 3.76Å; D551-R632 PolarHBondContact OD1-NH1 3Å; D551-R632 IonicContact OD1-NH2 2.77Å; S564-R632 PolarHBondContact O-NH2 3.34Å; S564-R632 PolarHBondContact OG-NH2 3.26Å; M570-R632 HydrophobicContact CB-CG 4.29Å; M570-R632 HydrophobicContact CG-CB 4.25Å; M570-R632 HydrophobicContact CG-CG 4.29Å; M570-R632 HydrophobicContact SD-CB 3.93Å; M570-R632 HydrophobicContact SD-CG 3.95Å; N628-R632 PolarHBondContact O-N 3.06Å; G629-R632 PolarHBondContact O-N 3.09Å; V630-R632 PolarHBondContact O-N 2.93Å; R632-C634 VanDerWaalsContact C-N 3.27Å; R632-C634 PolarHBondContact O-N 3.37Å; R632-W635 WeakPolarHBondContact O-CB 3.42Å; R632-W635 PolarHBondContact O-N 3.21Å; R632-S636 PolarHBondContact NE-OG 3.45Å; R632-S636 PolarHBondContact O-N 3.48Å; R632-S636 PolarHBondContact O-OG 2.91Å |
| 633 | R | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | -179.3 | -72.4 | 169.4 | -177.6 | -81 | -2.1 | 112 | V547 E556 N559 G629 V630 S636 G637 N638 A641 | V547-R633 PolarHBondContact O-NE 3.13Å; E556-R633 PolarHBondContact O-NH1 3.1Å; E556-R633 PolarHBondContact O-NH2 3.18Å; N559-R633 PolarHBondContact OD1-NH1 3.28Å; G629-R633 VanDerWaalsContact O-CB 3.31Å; G629-R633 WeakPolarHBondContact O-CB 3.17Å; G629-R633 WeakPolarHBondContact O-CG 3.3Å; G629-R633 PolarHBondContact O-N 3.42Å; V630-R633 PolarHBondContact O-N 2.84Å; R633-S636 PolarHBondContact O-N 3.39Å; R633-G637 PolarHBondContact O-N 3.46Å; R633-N638 HydrophobicContact CB-CB 4.4Å; R633-N638 WeakPolarHBondContact O-CB 3.39Å; R633-N638 PolarHBondContact O-N 3.35Å; R633-A641 HydrophobicContact CB-CB 3.72Å |
| 634 | C | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -54.8 | 171.5 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | V630 A631 R632 S636 G637 A641 Y642 I645 P660 | V630-C634 WeakPolarHBondContact O-CB 3.48Å; V630-C634 PolarHBondContact O-N 3.12Å; A631-C634 WeakPolarHBondContact O-CB 3.39Å; A631-C634 PolarHBondContact O-N 2.79Å; R632-C634 VanDerWaalsContact C-N 3.27Å; R632-C634 PolarHBondContact O-N 3.37Å; C634-S636 PolarHBondContact O-N 3.43Å; C634-G637 PolarHBondContact O-N 3Å; C634-A641 HydrophobicContact CB-CB 3.94Å; C634-A641 VanDerWaalsContact N-CB 3.31Å; C634-Y642 VanDerWaalsContact SG-CA 3.54Å; C634-I645 HydrophobicContact CB-CG2 3.89Å; C634-P660 WeakPolarHBondContact O-CG 3.49Å; C634-P660 VanDerWaalsContact SG-CD 3.54Å |
| 635 | W | 97.9 | Very high | 96.6 | Very high | 145 Ų | 145 | 30.4 Ų | 30.4 | 55% | 0.549 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -53.5 | -40.9 | 178.4 | 179.1 | -101.9 | 0 | 0 | 0 | 112.4 | A631 R632 G637 T658 P660 | A631-W635 PolarHBondContact O-N 3Å; R632-W635 WeakPolarHBondContact O-CB 3.42Å; R632-W635 PolarHBondContact O-N 3.21Å; W635-G637 PolarHBondContact O-N 3.48Å; W635-G637 VanDerWaalsContact O-N 3.14Å; W635-T658 HydrophobicContact CE3-CG2 4.1Å; W635-T658 HydrophobicContact CH2-CG2 4.34Å; W635-T658 HydrophobicContact CZ3-CG2 3.54Å; W635-P660 HydrophobicContact CE3-CB 4.14Å; W635-P660 HydrophobicContact CZ3-CB 4.39Å |
| 636 | S | 95.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 12.2 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 115.4 | D562 S564 R632 R633 C634 | D562-S636 VanDerWaalsContact CG-OG 3.3Å; D562-S636 PolarHBondContact OD1-OG 3.41Å; D562-S636 VanDerWaalsContact OD2-CA 3.29Å; D562-S636 WeakPolarHBondContact OD2-CA 3.06Å; D562-S636 WeakPolarHBondContact OD2-CB 3.47Å; D562-S636 PolarHBondContact OD2-OG 2.9Å; S564-S636 PolarHBondContact OG-OG 3Å; R632-S636 PolarHBondContact NE-OG 3.45Å; R632-S636 PolarHBondContact O-N 3.48Å; R632-S636 PolarHBondContact O-OG 2.91Å; R633-S636 PolarHBondContact O-N 3.39Å; C634-S636 PolarHBondContact O-N 3.43Å |
| 637 | G | 92.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 60% | 0.598 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 9.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R633 C634 W635 T639 | R633-G637 PolarHBondContact O-N 3.46Å; C634-G637 PolarHBondContact O-N 3Å; W635-G637 PolarHBondContact O-N 3.48Å; W635-G637 VanDerWaalsContact O-N 3.14Å; G637-T639 PolarHBondContact O-N 3.42Å |
| 638 | N | 93.6 | Very high | 96.1 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | trans | -80.9 | 120.2 | 177.8 | -169.3 | -70.3 | 0 | 0 | 0 | 112.1 | S443 R633 N640 A641 Y642 | S443-N638 VanDerWaalsContact CB-CG 3.46Å; S443-N638 WeakPolarHBondContact CB-OD1 3.33Å; S443-N638 PolarHBondContact OG-ND2 3.11Å; S443-N638 PolarHBondContact OG-OD1 3.32Å; R633-N638 HydrophobicContact CB-CB 4.4Å; R633-N638 WeakPolarHBondContact O-CB 3.39Å; R633-N638 PolarHBondContact O-N 3.35Å; N638-N640 WeakPolarHBondContact OD1-CA 3.41Å; N638-N640 VanDerWaalsContact OD1-CB 3.28Å; N638-N640 WeakPolarHBondContact OD1-CB 3.25Å; N638-N640 PolarHBondContact OD1-N 2.98Å; N638-A641 HydrophobicContact CB-CB 4.05Å; N638-A641 PolarHBondContact O-N 2.96Å; N638-A641 PolarHBondContact OD1-N 3.37Å; N638-A641 VanDerWaalsContact OD1-N 3.16Å; N638-Y642 PolarHBondContact O-N 2.84Å | ||
| 639 | T | 92.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 39.1 Ų | 39.1 | 61% | 0.613 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -66.8 | -37.9 | -177.8 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | G637 A641 Y642 E643 | G637-T639 PolarHBondContact O-N 3.42Å; T639-A641 VanDerWaalsContact C-N 3.26Å; T639-A641 PolarHBondContact O-N 3.26Å; T639-Y642 WeakPolarHBondContact O-CB 3.41Å; T639-Y642 PolarHBondContact O-N 3.34Å; T639-E643 PolarHBondContact O-N 3.45Å; T639-E643 VanDerWaalsContact O-N 3.15Å |
| 640 | N | 93.7 | Very high | 95.9 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 175.5 | -63.9 | -37.5 | 0 | 0 | 0 | 111 | D440 S443 L444 R482 N638 T644 | D440-N640 PolarHBondContact OD1-ND2 3.34Å; S443-N640 CarbonylContact O-C 3.53Å; L444-N640 HydrophobicContact CD2-CB 3.82Å; L444-N640 HydrophobicContact CG-CB 4.19Å; R482-N640 PolarHBondContact NE-OD1 2.98Å; R482-N640 PolarHBondContact NH1-OD1 3.04Å; R482-N640 PolarHBondContact NH2-OD1 2.82Å; N638-N640 WeakPolarHBondContact OD1-CA 3.41Å; N638-N640 VanDerWaalsContact OD1-CB 3.28Å; N638-N640 WeakPolarHBondContact OD1-CB 3.25Å; N638-N640 PolarHBondContact OD1-N 2.98Å; N640-T644 WeakPolarHBondContact O-CB 3.31Å; N640-T644 PolarHBondContact O-N 3.33Å; N640-T644 VanDerWaalsContact O-N 3.11Å; N640-T644 PolarHBondContact O-OG1 2.9Å |
| 641 | A | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.2 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S443 V630 R633 C634 N638 T639 T644 I645 | S443-A641 WeakPolarHBondContact O-CA 3.44Å; S443-A641 PolarHBondContact O-N 3.44Å; V630-A641 HydrophobicContact CG1-CB 4.15Å; V630-A641 WeakPolarHBondContact O-CB 3.27Å; R633-A641 HydrophobicContact CB-CB 3.72Å; C634-A641 HydrophobicContact CB-CB 3.94Å; C634-A641 VanDerWaalsContact N-CB 3.31Å; N638-A641 HydrophobicContact CB-CB 4.05Å; N638-A641 PolarHBondContact O-N 2.96Å; N638-A641 PolarHBondContact OD1-N 3.37Å; N638-A641 VanDerWaalsContact OD1-N 3.16Å; T639-A641 VanDerWaalsContact C-N 3.26Å; T639-A641 PolarHBondContact O-N 3.26Å; A641-T644 PolarHBondContact O-N 2.93Å; A641-I645 WeakPolarHBondContact O-CG2 3.25Å; A641-I645 PolarHBondContact O-N 2.84Å |
| 642 | Y | 96.4 | Very high | 95.5 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.4 | -55 | 173.1 | -172.5 | -74.5 | 0 | 0 | 0 | 111.8 | C634 N638 T639 T644 Q646 M659 P660 | C634-Y642 VanDerWaalsContact SG-CA 3.54Å; N638-Y642 PolarHBondContact O-N 2.84Å; T639-Y642 WeakPolarHBondContact O-CB 3.41Å; T639-Y642 PolarHBondContact O-N 3.34Å; Y642-T644 VanDerWaalsContact C-N 3.26Å; Y642-T644 PolarHBondContact O-N 3.29Å; Y642-Q646 VanDerWaalsContact O-CB 3.3Å; Y642-Q646 WeakPolarHBondContact O-CB 3.35Å; Y642-Q646 PolarHBondContact O-N 3.32Å; Y642-M659 HydrophobicContact CD1-CE 3.91Å; Y642-M659 HydrophobicContact CD2-CE 3.54Å; Y642-M659 HydrophobicContact CE1-CE 3.78Å; Y642-M659 HydrophobicContact CE2-CB 4.43Å; Y642-M659 HydrophobicContact CE2-CE 3.44Å; Y642-M659 VanDerWaalsContact CE2-CE 3.44Å; Y642-M659 HydrophobicContact CG-CE 3.77Å; Y642-P660 HydrophobicContact CD2-CG 4.29Å |
| 643 | E | 95.1 | Very high | 95.3 | Very high | 85 Ų | 85 | 57 Ų | 57 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 179.1 | -67.5 | 173.5 | -175.2 | 0 | 0 | 112.1 | R482 T639 R647 | R482-E643 IonicContact CZ-OE2 3.62Å; R482-E643 IonicContact NH1-OE2 2.88Å; R482-E643 PolarHBondContact NH1-OE2 2.83Å; R482-E643 IonicContact NH2-OE2 2.9Å; R482-E643 PolarHBondContact NH2-OE2 3.3Å; T639-E643 PolarHBondContact O-N 3.45Å; T639-E643 VanDerWaalsContact O-N 3.15Å; E643-R647 WeakPolarHBondContact O-CG 3.36Å; E643-R647 PolarHBondContact O-N 2.93Å; E643-R647 PolarHBondContact O-NE 3.17Å |
| 644 | T | 96.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.4 | -51.4 | -179 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | V630 N640 A641 Y642 Q646 R647 T648 | V630-T644 HydrophobicContact CG1-CG2 3.83Å; V630-T644 HydrophobicContact CG2-CG2 4.5Å; N640-T644 WeakPolarHBondContact O-CB 3.31Å; N640-T644 PolarHBondContact O-N 3.33Å; N640-T644 VanDerWaalsContact O-N 3.11Å; N640-T644 PolarHBondContact O-OG1 2.9Å; A641-T644 PolarHBondContact O-N 2.93Å; Y642-T644 VanDerWaalsContact C-N 3.26Å; Y642-T644 PolarHBondContact O-N 3.29Å; T644-Q646 VanDerWaalsContact C-N 3.31Å; T644-Q646 PolarHBondContact O-N 3.23Å; T644-R647 PolarHBondContact O-N 2.84Å; T644-T648 PolarHBondContact O-N 3.02Å; T644-T648 PolarHBondContact O-OG1 3.2Å; T644-T648 VanDerWaalsContact O-OG1 3.06Å |
| 645 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.2 | -32.5 | -178 | -159.4 | 60.7 | 0 | 0 | 0 | 112.3 | V630 A631 C634 A641 T648 M649 L655 V657 M659 | V630-I645 HydrophobicContact CB-CD1 4.5Å; V630-I645 HydrophobicContact CG1-CB 3.94Å; V630-I645 HydrophobicContact CG1-CD1 4.4Å; A631-I645 HydrophobicContact CB-CD1 4.1Å; A631-I645 HydrophobicContact CB-CG1 4.11Å; C634-I645 HydrophobicContact CB-CG2 3.89Å; A641-I645 WeakPolarHBondContact O-CG2 3.25Å; A641-I645 PolarHBondContact O-N 2.84Å; I645-T648 PolarHBondContact O-N 3.01Å; I645-M649 WeakPolarHBondContact O-CG 3.41Å; I645-M649 PolarHBondContact O-N 3.26Å; I645-L655 HydrophobicContact CD1-CD2 4.05Å; I645-V657 HydrophobicContact CD1-CG1 4.44Å; I645-V657 HydrophobicContact CG1-CG1 4.24Å; I645-V657 HydrophobicContact CG1-CG2 3.54Å; I645-V657 HydrophobicContact CG2-CG2 4.22Å; I645-M659 HydrophobicContact CG2-CE 3.91Å; I645-M659 HydrophobicContact CG2-SD 3.81Å |
| 646 | Q | 96.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 71 Ų | 71 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.2 | -51.3 | 173.7 | -178.4 | -179 | -13.9 | 0 | 0 | 110.9 | Y642 T644 T648 M649 E650 M659 | Y642-Q646 VanDerWaalsContact O-CB 3.3Å; Y642-Q646 WeakPolarHBondContact O-CB 3.35Å; Y642-Q646 PolarHBondContact O-N 3.32Å; T644-Q646 VanDerWaalsContact C-N 3.31Å; T644-Q646 PolarHBondContact O-N 3.23Å; Q646-T648 VanDerWaalsContact C-N 3.31Å; Q646-T648 PolarHBondContact O-N 2.95Å; Q646-M649 PolarHBondContact O-N 3.25Å; Q646-M649 VanDerWaalsContact O-N 3.16Å; Q646-E650 PolarHBondContact NE2-OE1 3.43Å; Q646-E650 WeakPolarHBondContact O-CG 3.48Å; Q646-E650 PolarHBondContact O-N 2.73Å; Q646-M659 HydrophobicContact CB-CE 4.33Å |
| 647 | R | 94.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 72.5 Ų | 72.5 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 176.3 | -70.8 | -178.8 | -61.5 | -163.2 | 4 | 112.1 | E643 T644 M649 E650 E651 | E643-R647 WeakPolarHBondContact O-CG 3.36Å; E643-R647 PolarHBondContact O-N 2.93Å; E643-R647 PolarHBondContact O-NE 3.17Å; T644-R647 PolarHBondContact O-N 2.84Å; R647-M649 VanDerWaalsContact C-N 3.3Å; R647-M649 PolarHBondContact O-N 3.36Å; R647-E650 WeakPolarHBondContact O-CB 3.41Å; R647-E650 PolarHBondContact O-N 2.8Å; R647-E650 VanDerWaalsContact O-N 3.15Å; R647-E651 PolarHBondContact O-N 3.19Å |
| 648 | T | 95.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 74.7 Ų | 74.7 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 176.6 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | T644 I645 Q646 E651 N652 L655 | T644-T648 PolarHBondContact O-N 3.02Å; T644-T648 PolarHBondContact O-OG1 3.2Å; T644-T648 VanDerWaalsContact O-OG1 3.06Å; I645-T648 PolarHBondContact O-N 3.01Å; Q646-T648 VanDerWaalsContact C-N 3.31Å; Q646-T648 PolarHBondContact O-N 2.95Å; T648-E651 PolarHBondContact O-N 3.04Å; T648-N652 WeakPolarHBondContact O-CB 3.16Å; T648-N652 PolarHBondContact O-N 3.08Å; T648-L655 HydrophobicContact CG2-CD2 3.49Å; T648-L655 VanDerWaalsContact CG2-CD2 3.49Å |
| 649 | M | 96.9 | Very high | 95.7 | Very high | 41 Ų | 41 | 75.5 Ų | 75.5 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.9 | -34 | 174 | -70.3 | -169.9 | -69.6 | 0 | 0 | 112.7 | I645 Q646 R647 N652 L655 V657 M659 | I645-M649 WeakPolarHBondContact O-CG 3.41Å; I645-M649 PolarHBondContact O-N 3.26Å; Q646-M649 PolarHBondContact O-N 3.25Å; Q646-M649 VanDerWaalsContact O-N 3.16Å; R647-M649 VanDerWaalsContact C-N 3.3Å; R647-M649 PolarHBondContact O-N 3.36Å; M649-N652 CarbonylContact O-C 3.34Å; M649-N652 PolarHBondContact O-N 3.08Å; M649-N652 VanDerWaalsContact O-O 3.13Å; M649-L655 HydrophobicContact CG-CB 4.49Å; M649-L655 HydrophobicContact CG-CD2 4.18Å; M649-L655 HydrophobicContact CG-CG 4.02Å; M649-L655 WeakPolarHBondContact CG-O 3.33Å; M649-V657 HydrophobicContact CE-CG2 3.83Å; M649-V657 HydrophobicContact CG-CG2 4.45Å; M649-V657 HydrophobicContact SD-CB 4.32Å; M649-V657 HydrophobicContact SD-CG2 3.59Å; M649-V657 VanDerWaalsContact SD-CG2 3.59Å; M649-V657 PolarHBondContact SD-N 3.28Å; M649-M659 HydrophobicContact CE-CE 4.49Å; M649-M659 HydrophobicContact CE-CG 3.98Å; M649-M659 HydrophobicContact CE-SD 3.44Å; M649-M659 WeakPolarHBondContact CE-SD 3.28Å |
| 650 | E | 95.4 | Very high | 95.9 | Very high | 132 Ų | 132 | 71.9 Ų | 71.9 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 174.4 | -68.9 | 165.9 | -174.3 | 0 | 0 | 111.6 | Q646 R647 | Q646-E650 PolarHBondContact NE2-OE1 3.43Å; Q646-E650 WeakPolarHBondContact O-CG 3.48Å; Q646-E650 PolarHBondContact O-N 2.73Å; R647-E650 WeakPolarHBondContact O-CB 3.41Å; R647-E650 PolarHBondContact O-N 2.8Å; R647-E650 VanDerWaalsContact O-N 3.15Å |
| 651 | E | 92.4 | Very high | 95.9 | Very high | 138 Ų | 138 | 80.6 Ų | 80.6 | 65% | 0.645 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -78.1 | -22 | 176.8 | -67.9 | -174.3 | 162.2 | 0 | 0 | 113.3 | K516 R647 T648 | K516-E651 IonicContact NZ-OE1 2.69Å; R647-E651 PolarHBondContact O-N 3.19Å; T648-E651 PolarHBondContact O-N 3.04Å |
| 652 | N | 93.9 | Very high | 95.7 | Very high | 51 Ų | 51 | 85 Ų | 85 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | trans | -133.6 | 98.8 | -178.4 | -177.5 | -4.8 | 0 | 0 | 0 | 112.1 | T648 M649 Q654 L655 | T648-N652 WeakPolarHBondContact O-CB 3.16Å; T648-N652 PolarHBondContact O-N 3.08Å; M649-N652 CarbonylContact O-C 3.34Å; M649-N652 PolarHBondContact O-N 3.08Å; M649-N652 VanDerWaalsContact O-O 3.13Å; N652-Q654 PolarHBondContact O-N 3.12Å; N652-Q654 WeakPolarHBondContact OD1-CB 3.49Å; N652-Q654 PolarHBondContact OD1-N 3.12Å; N652-L655 HydrophobicContact CB-CB 4.27Å; N652-L655 PolarHBondContact O-N 3.44Å | ||
| 653 | S | 93.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 84.3 Ų | 84.3 | 79% | 0.79 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.8 | -178.9 | 65.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 654 | Q | 95.5 | Very high | 95.4 | Very high | 177 Ų | 177 | 88.4 Ų | 88.4 | 83% | 0.827 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -17.5 | 175.3 | -61.2 | -169.7 | -46.9 | 0 | 0 | 112.7 | N652 | N652-Q654 PolarHBondContact O-N 3.12Å; N652-Q654 WeakPolarHBondContact OD1-CB 3.49Å; N652-Q654 PolarHBondContact OD1-N 3.12Å |
| 655 | L | 96.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 90.6 Ų | 90.6 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | trans | -86.7 | 119.5 | 175 | -178.5 | 65.5 | 0 | 0 | 0 | 109.2 | I645 T648 M649 N652 V657 | I645-L655 HydrophobicContact CD1-CD2 4.05Å; T648-L655 HydrophobicContact CG2-CD2 3.49Å; T648-L655 VanDerWaalsContact CG2-CD2 3.49Å; M649-L655 HydrophobicContact CG-CB 4.49Å; M649-L655 HydrophobicContact CG-CD2 4.18Å; M649-L655 HydrophobicContact CG-CG 4.02Å; M649-L655 WeakPolarHBondContact CG-O 3.33Å; N652-L655 HydrophobicContact CB-CB 4.27Å; N652-L655 PolarHBondContact O-N 3.44Å; L655-V657 HydrophobicContact CD1-CG1 3.95Å; L655-V657 HydrophobicContact CG-CG1 4.32Å | ||
| 656 | R | 97.7 | Very high | 95 | Very high | 225 Ų | 225 | 96.4 Ų | 96.4 | 85% | 0.849 | 48% | 0.478 | S | S | * | . | trans | -135.3 | 116.1 | 173 | -63.1 | -178.7 | 68.5 | -174.7 | 1 | 108.2 | ||||
| 657 | V | 97.9 | Very high | 94.8 | Very high | 41 Ų | 41 | 98.1 Ų | 98.1 | 25% | 0.248 | 49% | 0.486 | C | S | . | . | trans | -114.7 | 159.8 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | A631 I645 M649 L655 M659 | A631-V657 HydrophobicContact CB-CB 4.35Å; A631-V657 HydrophobicContact CB-CG1 3.94Å; I645-V657 HydrophobicContact CD1-CG1 4.44Å; I645-V657 HydrophobicContact CG1-CG1 4.24Å; I645-V657 HydrophobicContact CG1-CG2 3.54Å; I645-V657 HydrophobicContact CG2-CG2 4.22Å; M649-V657 HydrophobicContact CE-CG2 3.83Å; M649-V657 HydrophobicContact CG-CG2 4.45Å; M649-V657 HydrophobicContact SD-CB 4.32Å; M649-V657 HydrophobicContact SD-CG2 3.59Å; M649-V657 VanDerWaalsContact SD-CG2 3.59Å; M649-V657 PolarHBondContact SD-N 3.28Å; L655-V657 HydrophobicContact CD1-CG1 3.95Å; L655-V657 HydrophobicContact CG-CG1 4.32Å; V657-M659 HydrophobicContact CG2-SD 3.89Å; V657-M659 PolarHBondContact O-N 2.8Å | ||
| 658 | T | 98.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 64% | 0.638 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 121.1 | 172.4 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | W635 | W635-T658 HydrophobicContact CE3-CG2 4.1Å; W635-T658 HydrophobicContact CH2-CG2 4.34Å; W635-T658 HydrophobicContact CZ3-CG2 3.54Å |
| 659 | M | 97.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 100.3 Ų | 100.3 | 20% | 0.197 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -91 | 132.3 | 174.4 | -59.5 | -58.2 | -70.4 | 0 | 0 | 110 | Y642 I645 Q646 M649 V657 | Y642-M659 HydrophobicContact CD1-CE 3.91Å; Y642-M659 HydrophobicContact CD2-CE 3.54Å; Y642-M659 HydrophobicContact CE1-CE 3.78Å; Y642-M659 HydrophobicContact CE2-CB 4.43Å; Y642-M659 HydrophobicContact CE2-CE 3.44Å; Y642-M659 VanDerWaalsContact CE2-CE 3.44Å; Y642-M659 HydrophobicContact CG-CE 3.77Å; I645-M659 HydrophobicContact CG2-CE 3.91Å; I645-M659 HydrophobicContact CG2-SD 3.81Å; Q646-M659 HydrophobicContact CB-CE 4.33Å; M649-M659 HydrophobicContact CE-CE 4.49Å; M649-M659 HydrophobicContact CE-CG 3.98Å; M649-M659 HydrophobicContact CE-SD 3.44Å; M649-M659 WeakPolarHBondContact CE-SD 3.28Å; V657-M659 HydrophobicContact CG2-SD 3.89Å; V657-M659 PolarHBondContact O-N 2.8Å |
| 660 | P | 96.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 101.9 Ų | 101.9 | 16% | 0.162 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 145.5 | 178.6 | 32.1 | -35.9 | 0 | 0 | 0 | 111.4 | C634 W635 Y642 | C634-P660 WeakPolarHBondContact O-CG 3.49Å; C634-P660 VanDerWaalsContact SG-CD 3.54Å; W635-P660 HydrophobicContact CE3-CB 4.14Å; W635-P660 HydrophobicContact CZ3-CB 4.39Å; Y642-P660 HydrophobicContact CD2-CG 4.29Å |
| 661 | F | 94.4 | Very high | 94.7 | Very high | 198 Ų | 198 | 102.2 Ų | 102.2 | 87% | 0.868 | 51% | 0.511 | S | S | * | . | trans | -102.8 | 114 | 169.3 | -69.6 | -84.6 | 0 | 0 | 0 | 109 | ||||
| 662 | P | 90.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 99.5 Ų | 99.5 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | trans | -70.8 | 142.1 | 178.3 | 26 | -29.7 | 0 | 0 | 0 | 110.9 | Q664 | P662-Q664 PolarHBondContact O-N 3.21Å; P662-Q664 PolarHBondContact O-NE2 3.34Å | ||
| 663 | V | 93.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 104.3 Ų | 104.3 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | trans | -62.5 | 121.7 | 170.1 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | D665 L669 | V663-D665 WeakPolarHBondContact CG1-O 3.44Å; V663-L669 HydrophobicContact CG1-CD2 4.43Å; V663-L669 HydrophobicContact CG1-CG 4.35Å; V663-L669 HydrophobicContact CG2-CD2 4.48Å | ||
| 664 | Q | 91.9 | Very high | 94.5 | Very high | 172 Ų | 172 | 106.2 Ų | 106.2 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -84.9 | -29.2 | -176.3 | -61.4 | -64 | -49.7 | 0 | 0 | 112.9 | P662 | P662-Q664 PolarHBondContact O-N 3.21Å; P662-Q664 PolarHBondContact O-NE2 3.34Å |
| 665 | D | 92.8 | Very high | 92.9 | Very high | 60 Ų | 60 | 104.3 Ų | 104.3 | 32% | 0.321 | 56% | 0.562 | S | S | . | * | trans | -130.5 | 103.9 | -179.5 | 173.1 | 25.4 | 0 | 0 | 0 | 109 | V663 H667 V668 R671 | V663-D665 WeakPolarHBondContact CG1-O 3.44Å; D665-H667 PolarHBondContact O-N 3.21Å; D665-H667 VanDerWaalsContact OD1-CB 3.26Å; D665-H667 WeakPolarHBondContact OD1-CB 3.43Å; D665-H667 IonicContact OD1-CD2 3.9Å; D665-H667 PolarHBondContact OD1-CD2 3.33Å; D665-H667 VanDerWaalsContact OD1-CD2 3.27Å; D665-H667 IonicContact OD1-CG 2.89Å; D665-H667 PolarHBondContact OD1-N 3.27Å; D665-V668 HydrophobicContact CB-CG2 4.03Å; D665-V668 VanDerWaalsContact O-CB 3.29Å; D665-V668 WeakPolarHBondContact O-CB 3.47Å; D665-V668 WeakPolarHBondContact O-CG2 3.24Å; D665-V668 PolarHBondContact O-N 2.99Å; D665-R671 IonicContact OD2-CZ 3.47Å; D665-R671 IonicContact OD2-NH1 3.73Å; D665-R671 IonicContact OD2-NH2 3.95Å; D665-R671 PolarHBondContact OD2-NH2 3.49Å | ||
| 666 | E | 91.9 | Very high | 92.7 | Very high | 122 Ų | 122 | 107.5 Ų | 107.5 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -26 | 177.8 | -72.8 | -68.6 | 165.4 | 0 | 0 | 112.3 | V668 L669 D670 | E666-V668 PolarHBondContact O-N 2.77Å; E666-V668 VanDerWaalsContact O-N 3.15Å; E666-L669 WeakPolarHBondContact O-CA 3.49Å; E666-L669 VanDerWaalsContact O-CB 3.3Å; E666-L669 WeakPolarHBondContact O-CB 3.22Å; E666-L669 PolarHBondContact O-N 2.77Å; E666-L669 WeakPolarHBondContact OE2-CD1 3.46Å; E666-D670 PolarHBondContact O-N 3.43Å |
| 667 | H | 93.6 | Very high | 92.5 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -18.5 | 176.2 | -60.5 | -58 | 0 | 0 | 0 | 113 | D665 L669 D670 R671 | D665-H667 PolarHBondContact O-N 3.21Å; D665-H667 VanDerWaalsContact OD1-CB 3.26Å; D665-H667 WeakPolarHBondContact OD1-CB 3.43Å; D665-H667 IonicContact OD1-CD2 3.9Å; D665-H667 PolarHBondContact OD1-CD2 3.33Å; D665-H667 VanDerWaalsContact OD1-CD2 3.27Å; D665-H667 IonicContact OD1-CG 2.89Å; D665-H667 PolarHBondContact OD1-N 3.27Å; H667-L669 PolarHBondContact O-N 3.19Å; H667-D670 IonicContact ND1-OD2 3.16Å; H667-D670 PolarHBondContact ND1-OD2 3.24Å; H667-D670 PolarHBondContact O-N 3.17Å; H667-R671 WeakPolarHBondContact O-CB 3.41Å; H667-R671 VanDerWaalsContact O-CG 3.25Å; H667-R671 WeakPolarHBondContact O-CG 3.18Å; H667-R671 PolarHBondContact O-N 2.86Å; H667-R671 PolarHBondContact O-NE 3.15Å |
| 668 | V | 95.7 | Very high | 92.2 | Very high | 72 Ų | 72 | 104.7 Ų | 104.7 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.6 | -38.9 | 168.9 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | D665 E666 A672 | D665-V668 HydrophobicContact CB-CG2 4.03Å; D665-V668 VanDerWaalsContact O-CB 3.29Å; D665-V668 WeakPolarHBondContact O-CB 3.47Å; D665-V668 WeakPolarHBondContact O-CG2 3.24Å; D665-V668 PolarHBondContact O-N 2.99Å; E666-V668 PolarHBondContact O-N 2.77Å; E666-V668 VanDerWaalsContact O-N 3.15Å; V668-A672 VanDerWaalsContact O-CB 3.31Å; V668-A672 WeakPolarHBondContact O-CB 3.38Å; V668-A672 PolarHBondContact O-N 3.38Å; V668-A672 VanDerWaalsContact O-N 3.08Å |
| 669 | L | 95.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 104.7 Ų | 104.7 | 38% | 0.382 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71 | -47.1 | 178.5 | -51.5 | -171.4 | 0 | 0 | 0 | 110.7 | V663 E666 H667 R671 A672 L673 | V663-L669 HydrophobicContact CG1-CD2 4.43Å; V663-L669 HydrophobicContact CG1-CG 4.35Å; V663-L669 HydrophobicContact CG2-CD2 4.48Å; E666-L669 WeakPolarHBondContact O-CA 3.49Å; E666-L669 VanDerWaalsContact O-CB 3.3Å; E666-L669 WeakPolarHBondContact O-CB 3.22Å; E666-L669 PolarHBondContact O-N 2.77Å; E666-L669 WeakPolarHBondContact OE2-CD1 3.46Å; H667-L669 PolarHBondContact O-N 3.19Å; L669-R671 VanDerWaalsContact C-N 3.34Å; L669-R671 PolarHBondContact O-N 2.79Å; L669-A672 PolarHBondContact O-N 2.92Å; L669-A672 VanDerWaalsContact O-N 3.15Å; L669-L673 WeakPolarHBondContact O-CG 3.39Å; L669-L673 PolarHBondContact O-N 3.45Å |
| 670 | D | 93.6 | Very high | 91.4 | Very high | 75 Ų | 75 | 108.8 Ų | 108.8 | 40% | 0.401 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -55.6 | -49.7 | 177 | -66.8 | -31.8 | 0 | 0 | 0 | 111.2 | E666 H667 A672 L673 Q674 | E666-D670 PolarHBondContact O-N 3.43Å; H667-D670 IonicContact ND1-OD2 3.16Å; H667-D670 PolarHBondContact ND1-OD2 3.24Å; H667-D670 PolarHBondContact O-N 3.17Å; D670-A672 VanDerWaalsContact C-N 3.32Å; D670-A672 PolarHBondContact O-N 3.1Å; D670-L673 PolarHBondContact O-N 2.81Å; D670-Q674 VanDerWaalsContact O-CB 3.3Å; D670-Q674 WeakPolarHBondContact O-CB 3.35Å; D670-Q674 WeakPolarHBondContact O-CG 3.43Å; D670-Q674 PolarHBondContact O-N 2.89Å |
| 671 | R | 95.4 | Very high | 91.1 | Very high | 139 Ų | 139 | 114.3 Ų | 114.3 | 53% | 0.525 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61 | -40.4 | 178.3 | -72.8 | -174.6 | -61.1 | -94.3 | 3 | 112 | D665 H667 L669 L673 | D665-R671 IonicContact OD2-CZ 3.47Å; D665-R671 IonicContact OD2-NH1 3.73Å; D665-R671 IonicContact OD2-NH2 3.95Å; D665-R671 PolarHBondContact OD2-NH2 3.49Å; H667-R671 WeakPolarHBondContact O-CB 3.41Å; H667-R671 VanDerWaalsContact O-CG 3.25Å; H667-R671 WeakPolarHBondContact O-CG 3.18Å; H667-R671 PolarHBondContact O-N 2.86Å; H667-R671 PolarHBondContact O-NE 3.15Å; L669-R671 VanDerWaalsContact C-N 3.34Å; L669-R671 PolarHBondContact O-N 2.79Å; R671-L673 VanDerWaalsContact C-N 3.31Å; R671-L673 PolarHBondContact O-N 3.43Å |
| 672 | A | 94 | Very high | 90.9 | Very high | 81 Ų | 81 | 108.4 Ų | 108.4 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V668 L669 D670 | V668-A672 VanDerWaalsContact O-CB 3.31Å; V668-A672 WeakPolarHBondContact O-CB 3.38Å; V668-A672 PolarHBondContact O-N 3.38Å; V668-A672 VanDerWaalsContact O-N 3.08Å; L669-A672 PolarHBondContact O-N 2.92Å; L669-A672 VanDerWaalsContact O-N 3.15Å; D670-A672 VanDerWaalsContact C-N 3.32Å; D670-A672 PolarHBondContact O-N 3.1Å |
| 673 | L | 93.9 | Very high | 90.9 | Very high | 152 Ų | 152 | 109.6 Ų | 109.6 | 80% | 0.796 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -88 | -21.7 | 179.2 | -66.8 | 174.4 | 0 | 0 | 0 | 113.5 | L669 D670 R671 | L669-L673 WeakPolarHBondContact O-CG 3.39Å; L669-L673 PolarHBondContact O-N 3.45Å; D670-L673 PolarHBondContact O-N 2.81Å; R671-L673 VanDerWaalsContact C-N 3.31Å; R671-L673 PolarHBondContact O-N 3.43Å |
| 674 | Q | 87.4 | Confident | 90.7 | Very high | 152 Ų | 152 | 112.4 Ų | 112.4 | 71% | 0.71 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -79.5 | -16.2 | -177.5 | -79 | 173.5 | 10.1 | 0 | 0 | 114.7 | D670 | D670-Q674 VanDerWaalsContact O-CB 3.3Å; D670-Q674 WeakPolarHBondContact O-CB 3.35Å; D670-Q674 WeakPolarHBondContact O-CG 3.43Å; D670-Q674 PolarHBondContact O-N 2.89Å |
| 675 | G | 62.7 | Low | 90.6 | Very high | 138 Ų | 138 | 107 Ų | 107 | 100% | 1.423 | 61% | 0.614 | S | S | * | * | trans | 64.1 | 0 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 |
Retrieved 675 of 675 residues in 265.1 ms
(Link to these results)