| 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 | 43.3 | Very low | 86.2 | Confident | 239 Ų | 239 | 91.5 Ų | 91.5 | 100% | 1.177 | 48% | 0.479 | S | S | * | . | 0 | 129.1 | 0 | -66.8 | -177.4 | -147.9 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 60.3 | Low | 85.9 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 121.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109 | V169 | A2-V169 HydrophobicContact CB-CB 4.19Å; A2-V169 HydrophobicContact CB-CG2 3.92Å |
| 3 | S | 89.2 | Confident | 85.5 | Confident | 67 Ų | 67 | 88.2 Ų | 88.2 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 151.3 | -179.5 | 52.7 | 0 | 0 | 0 | 0 | 111 | M1 K168 | M1-S3 PolarHBondContact O-N 3.39Å; S3-K168 WeakPolarHBondContact O-CB 3.34Å; S3-K168 VanDerWaalsContact O-CG 3.28Å; S3-K168 WeakPolarHBondContact O-CG 3.44Å; S3-K168 PolarHBondContact O-N 3.45Å |
| 4 | N | 95.4 | Very high | 85.1 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 157.6 | 169.2 | -69.8 | -0.2 | 0 | 0 | 0 | 110.1 | S165 L166 | N4-S165 PolarHBondContact ND2-OG 2.96Å; N4-L166 PolarHBondContact OD1-O 3.43Å |
| 5 | P | 96.8 | Very high | 85.4 | Confident | 15 Ų | 15 | 87.1 Ų | 87.1 | 10% | 0.097 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 138.2 | 166.6 | -22.6 | 33.1 | 0 | 0 | 0 | 110.8 | L156 L166 K168 L171 F195 | P5-L156 HydrophobicContact CB-CD1 3.81Å; P5-L156 HydrophobicContact CG-CD1 3.75Å; P5-L166 WeakPolarHBondContact CD-O 3.44Å; P5-K168 HydrophobicContact CG-CG 4.16Å; P5-L171 HydrophobicContact CG-CD1 3.35Å; P5-F195 HydrophobicContact CG-CD1 4.48Å |
| 6 | P | 97.1 | Very high | 85.9 | Confident | 50 Ų | 50 | 91.1 Ų | 91.1 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 151.5 | -179.2 | 30.7 | -34.9 | 0 | 0 | 0 | 111.4 | L8 A453 V454 | P6-L8 HydrophobicContact CB-CD2 3.97Å; P6-L8 HydrophobicContact CB-CG 4.32Å; P6-L8 HydrophobicContact CG-CD2 4.42Å; P6-L8 HydrophobicContact CG-CG 4.43Å; P6-A453 HydrophobicContact CG-CB 3.89Å; P6-V454 PolarHBondContact O-N 3.25Å |
| 7 | K | 96.8 | Very high | 86.4 | Confident | 117 Ų | 117 | 89.1 Ų | 89.1 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.3 | 164.1 | -56.6 | -166.8 | 179.7 | -168 | 0 | 107.9 | E160 V454 L456 | K7-E160 WeakPolarHBondContact CE-OE2 3.41Å; K7-E160 IonicContact NZ-OE1 2.61Å; K7-E160 PolarHBondContact NZ-OE1 2.84Å; K7-E160 IonicContact NZ-OE2 2.84Å; K7-E160 PolarHBondContact NZ-OE2 2.87Å; K7-V454 CarbonylContact C-O 3.54Å; K7-V454 WeakPolarHBondContact CA-O 3.37Å; K7-V454 HydrophobicContact CG-CB 4.2Å; K7-V454 HydrophobicContact CG-CG1 4.5Å; K7-L456 HydrophobicContact CB-CD1 4.36Å |
| 8 | L | 95.4 | Very high | 86.9 | Confident | 83 Ų | 83 | 84.5 Ų | 84.5 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.6 | -175.5 | -56.2 | 178.2 | 0 | 0 | 0 | 109.6 | P6 A453 V454 L455 L456 | P6-L8 HydrophobicContact CB-CD2 3.97Å; P6-L8 HydrophobicContact CB-CG 4.32Å; P6-L8 HydrophobicContact CG-CD2 4.42Å; P6-L8 HydrophobicContact CG-CG 4.43Å; L8-A453 HydrophobicContact CD1-CB 3.88Å; L8-A453 HydrophobicContact CG-CB 4.25Å; L8-V454 PolarHBondContact N-O 2.97Å; L8-L455 HydrophobicContact CB-CD2 3.96Å; L8-L455 HydrophobicContact CD1-CD2 4.11Å; L8-L455 HydrophobicContact CG-CD2 4.43Å; L8-L455 CarbonylContact O-C 3.5Å; L8-L455 VanDerWaalsContact O-CA 3.3Å; L8-L455 WeakPolarHBondContact O-CA 3.17Å; L8-L456 PolarHBondContact O-N 3.44Å |
| 9 | K | 94.2 | Very high | 87.4 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 65% | 0.652 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.7 | 170.3 | -71.1 | -170.2 | 175 | -163.2 | 0 | 110.1 | L456 E458 | K9-L456 CarbonylContact C-O 3.57Å; K9-L456 WeakPolarHBondContact CA-O 3.3Å; K9-E458 HydrophobicContact CB-CG 3.77Å; K9-E458 WeakPolarHBondContact CB-OE1 3.49Å; K9-E458 HydrophobicContact CD-CG 4.2Å; K9-E458 HydrophobicContact CG-CG 4.4Å |
| 10 | I | 91.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 85.1 Ų | 85.1 | 15% | 0.154 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.3 | -176.8 | 51.5 | 160 | 0 | 0 | 0 | 111.4 | L18 Y36 L455 L456 E458 | I10-L18 HydrophobicContact CB-CD1 4.48Å; I10-L18 HydrophobicContact CD1-CD1 3.5Å; I10-L18 HydrophobicContact CD1-CD2 3.83Å; I10-L18 HydrophobicContact CD1-CG 4.32Å; I10-Y36 HydrophobicContact CD1-CD2 4.08Å; I10-Y36 HydrophobicContact CD1-CE2 4.45Å; I10-L455 HydrophobicContact CD1-CB 3.55Å; I10-L455 HydrophobicContact CD1-CD1 4.13Å; I10-L455 HydrophobicContact CD1-CG 4.46Å; I10-L455 HydrophobicContact CG1-CB 3.91Å; I10-L455 HydrophobicContact CG2-CB 4.23Å; I10-L455 HydrophobicContact CG2-CD2 4.4Å; I10-L456 VanDerWaalsContact CG1-O 3.26Å; I10-L456 WeakPolarHBondContact CG1-O 3.28Å; I10-L456 PolarHBondContact N-O 3.31Å; I10-E458 PolarHBondContact O-N 3.22Å |
| 11 | E | 88.6 | Confident | 88.3 | Confident | 113 Ų | 113 | 81 Ų | 81 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | trans | -88 | 115.1 | 166.5 | -68.4 | -179.3 | 173.2 | 0 | 0 | 109.2 | T13 S14 | E11-T13 VanDerWaalsContact C-N 3.33Å; E11-T13 PolarHBondContact O-N 2.91Å; E11-S14 PolarHBondContact O-OG 2.94Å; E11-S14 VanDerWaalsContact O-OG 3.05Å | ||
| 12 | I | 83.1 | Confident | 90.9 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.051 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -67.1 | -36.6 | -177.9 | -64.5 | -167.9 | 0 | 0 | 0 | 111.9 | S14 N15 L18 K19 K22 Y36 E457 | I12-S14 PolarHBondContact O-N 3.18Å; I12-N15 PolarHBondContact O-N 2.93Å; I12-N15 VanDerWaalsContact O-N 3.08Å; I12-L18 HydrophobicContact CG2-CB 4.31Å; I12-K19 HydrophobicContact CG2-CB 4.13Å; I12-K22 HydrophobicContact CD1-CD 3.63Å; I12-K22 HydrophobicContact CG2-CD 4.32Å; I12-Y36 HydrophobicContact CD1-CE2 3.85Å; I12-Y36 WeakPolarHBondContact CD1-OH 3.46Å; I12-E457 HydrophobicContact CD1-CB 4.08Å; I12-E457 HydrophobicContact CD1-CG 3.77Å; I12-E457 WeakPolarHBondContact CD1-OE1 3.43Å; I12-E457 VanDerWaalsContact CD1-OE2 3.28Å; I12-E457 WeakPolarHBondContact CD1-OE2 3.36Å; I12-E457 HydrophobicContact CG1-CB 4.35Å; I12-E457 HydrophobicContact CG1-CG 3.91Å |
| 13 | T | 79.9 | Confident | 92.7 | Very high | 131 Ų | 131 | 72.1 Ų | 72.1 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -63.5 | -24.8 | -174.8 | 50 | 0 | 0 | 0 | 0 | 113.5 | E11 | E11-T13 VanDerWaalsContact C-N 3.33Å; E11-T13 PolarHBondContact O-N 2.91Å |
| 14 | S | 80.3 | Confident | 93.1 | Very high | 90 Ų | 90 | 73.6 Ų | 73.6 | 63% | 0.629 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -89 | -4.5 | 178.8 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | E11 I12 | E11-S14 PolarHBondContact O-OG 2.94Å; E11-S14 VanDerWaalsContact O-OG 3.05Å; I12-S14 PolarHBondContact O-N 3.18Å |
| 15 | N | 89.3 | Confident | 93.2 | Very high | 69 Ų | 69 | 69.6 Ų | 69.6 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | trans | -126.9 | 104 | -179 | -172.8 | -41.7 | 0 | 0 | 0 | 111.7 | I12 R17 L18 K19 | I12-N15 PolarHBondContact O-N 2.93Å; I12-N15 VanDerWaalsContact O-N 3.08Å; N15-R17 VanDerWaalsContact C-N 3.26Å; N15-R17 PolarHBondContact O-N 3.29Å; N15-R17 WeakPolarHBondContact OD1-CB 3.49Å; N15-R17 PolarHBondContact OD1-N 3.03Å; N15-R17 VanDerWaalsContact OD1-N 3.08Å; N15-L18 HydrophobicContact CB-CB 4.1Å; N15-L18 HydrophobicContact CB-CD1 3.84Å; N15-L18 HydrophobicContact CB-CG 4.36Å; N15-L18 PolarHBondContact O-N 3.43Å; N15-L18 VanDerWaalsContact O-N 3.14Å; N15-L18 PolarHBondContact OD1-N 3.12Å; N15-L18 VanDerWaalsContact OD1-N 3.15Å; N15-K19 PolarHBondContact O-N 3.36Å | ||
| 16 | E | 93.6 | Very high | 93.3 | Very high | 151 Ų | 151 | 71.9 Ų | 71.9 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.1 | -37.3 | -177.9 | -170.5 | -179.7 | 178.3 | 0 | 0 | 113.2 | K19 N20 | E16-K19 PolarHBondContact O-N 3.25Å; E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 PolarHBondContact O-N 3.26Å; E16-N20 PolarHBondContact O-ND2 2.92Å |
| 17 | R | 94.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 73.8 Ų | 73.8 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 179.3 | -174.9 | 179.1 | 177.5 | -150.5 | -7 | 111.8 | N15 L21 N65 L67 D135 T137 | N15-R17 VanDerWaalsContact C-N 3.26Å; N15-R17 PolarHBondContact O-N 3.29Å; N15-R17 WeakPolarHBondContact OD1-CB 3.49Å; N15-R17 PolarHBondContact OD1-N 3.03Å; N15-R17 VanDerWaalsContact OD1-N 3.08Å; R17-L21 WeakPolarHBondContact O-CB 3.32Å; R17-L21 PolarHBondContact O-N 3.15Å; R17-N65 PolarHBondContact NH1-OD1 3.2Å; R17-N65 PolarHBondContact NH2-O 3.42Å; R17-N65 PolarHBondContact NH2-OD1 2.89Å; R17-L67 HydrophobicContact CG-CD2 4.43Å; R17-D135 IonicContact CZ-OD1 2.7Å; R17-D135 IonicContact NE-OD1 3.73Å; R17-D135 PolarHBondContact NE-OD1 2.87Å; R17-D135 PolarHBondContact NH2-O 3.48Å; R17-D135 VanDerWaalsContact NH2-O 3.16Å; R17-D135 IonicContact NH2-OD1 2.58Å; R17-D135 PolarHBondContact NH2-OD1 3.24Å; R17-T137 VanDerWaalsContact CZ-CG2 3.44Å; R17-T137 PolarHBondContact NH1-OG1 3.01Å |
| 18 | L | 95.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 176 | -82 | 163.5 | 0 | 0 | 0 | 111.5 | I10 I12 N15 L21 K22 Y36 L67 | I10-L18 HydrophobicContact CB-CD1 4.48Å; I10-L18 HydrophobicContact CD1-CD1 3.5Å; I10-L18 HydrophobicContact CD1-CD2 3.83Å; I10-L18 HydrophobicContact CD1-CG 4.32Å; I12-L18 HydrophobicContact CG2-CB 4.31Å; N15-L18 HydrophobicContact CB-CB 4.1Å; N15-L18 HydrophobicContact CB-CD1 3.84Å; N15-L18 HydrophobicContact CB-CG 4.36Å; N15-L18 PolarHBondContact O-N 3.43Å; N15-L18 VanDerWaalsContact O-N 3.14Å; N15-L18 PolarHBondContact OD1-N 3.12Å; N15-L18 VanDerWaalsContact OD1-N 3.15Å; L18-L21 PolarHBondContact O-N 3.26Å; L18-K22 WeakPolarHBondContact O-CB 3.43Å; L18-K22 PolarHBondContact O-N 3.5Å; L18-Y36 HydrophobicContact CD2-CD1 3.85Å; L18-Y36 HydrophobicContact CD2-CD2 4.49Å; L18-Y36 HydrophobicContact CD2-CE1 4.08Å; L18-Y36 HydrophobicContact CD2-CG 4.09Å; L18-L67 HydrophobicContact CD2-CD1 4.29Å; L18-L67 HydrophobicContact CD2-CD2 3.82Å; L18-L67 HydrophobicContact CG-CD2 4.25Å |
| 19 | K | 95.9 | Very high | 93.5 | Very high | 107 Ų | 107 | 71.1 Ų | 71.1 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -51.7 | 175 | -175.8 | -176.5 | 175.1 | -173.9 | 0 | 111.2 | I12 N15 E16 L21 K22 D23 | I12-K19 HydrophobicContact CG2-CB 4.13Å; N15-K19 PolarHBondContact O-N 3.36Å; E16-K19 PolarHBondContact O-N 3.25Å; K19-L21 VanDerWaalsContact C-N 3.28Å; K19-L21 PolarHBondContact O-N 3.47Å; K19-K22 PolarHBondContact O-N 3Å; K19-K22 VanDerWaalsContact O-N 3.15Å; K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 2.91Å |
| 20 | N | 96.7 | Very high | 93.6 | Very high | 73 Ų | 73 | 67.4 Ų | 67.4 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 178.1 | -71.3 | -17.6 | 0 | 0 | 0 | 111.5 | E16 D23 H24 | E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 PolarHBondContact O-N 3.26Å; E16-N20 PolarHBondContact O-ND2 2.92Å; N20-D23 PolarHBondContact O-N 2.89Å; N20-H24 PolarHBondContact O-N 3.08Å; N20-H24 PolarHBondContact O-ND1 3.41Å |
| 21 | L | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.3 | 179.2 | 59 | 0 | 0 | 0 | 112.4 | R17 L18 K19 H24 F25 Y36 L67 A69 T83 V133 D135 | R17-L21 WeakPolarHBondContact O-CB 3.32Å; R17-L21 PolarHBondContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 3.26Å; K19-L21 VanDerWaalsContact C-N 3.28Å; K19-L21 PolarHBondContact O-N 3.47Å; L21-H24 PolarHBondContact O-N 3.3Å; L21-F25 WeakPolarHBondContact O-CB 3.41Å; L21-F25 PolarHBondContact O-N 2.71Å; L21-Y36 HydrophobicContact CD2-CD1 4.08Å; L21-Y36 HydrophobicContact CD2-CE1 4.36Å; L21-L67 HydrophobicContact CD2-CB 4.38Å; L21-L67 HydrophobicContact CD2-CD2 3.63Å; L21-L67 HydrophobicContact CD2-CG 3.56Å; L21-A69 HydrophobicContact CD1-CB 4.23Å; L21-A69 HydrophobicContact CD2-CB 3.97Å; L21-A69 HydrophobicContact CG-CB 3.81Å; L21-T83 HydrophobicContact CD1-CG2 3.82Å; L21-V133 HydrophobicContact CD1-CB 3.96Å; L21-V133 HydrophobicContact CD1-CG1 3.62Å; L21-D135 HydrophobicContact CD1-CB 4.07Å; L21-D135 HydrophobicContact CD2-CB 4.45Å |
| 22 | K | 97.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 174.4 | 179.9 | 167.9 | 176 | 165.3 | 0 | 111.3 | I12 L18 K19 H24 F25 E26 P33 E457 | I12-K22 HydrophobicContact CD1-CD 3.63Å; I12-K22 HydrophobicContact CG2-CD 4.32Å; L18-K22 WeakPolarHBondContact O-CB 3.43Å; L18-K22 PolarHBondContact O-N 3.5Å; K19-K22 PolarHBondContact O-N 3Å; K19-K22 VanDerWaalsContact O-N 3.15Å; K22-H24 VanDerWaalsContact C-N 3.31Å; K22-H24 PolarHBondContact O-N 2.88Å; K22-F25 WeakPolarHBondContact O-CB 3.17Å; K22-F25 PolarHBondContact O-N 3.37Å; K22-F25 VanDerWaalsContact O-N 3.07Å; K22-E26 WeakPolarHBondContact CE-OE1 3.47Å; K22-E26 HydrophobicContact CG-CG 4.38Å; K22-E26 WeakPolarHBondContact O-CG 3.4Å; K22-E26 PolarHBondContact O-N 3.49Å; K22-P33 HydrophobicContact CG-CG 4.34Å; K22-E457 IonicContact NZ-OE1 3.71Å; K22-E457 PolarHBondContact NZ-OE1 2.96Å; K22-E457 IonicContact NZ-OE2 3.73Å; K22-E457 PolarHBondContact NZ-OE2 3.21Å |
| 23 | D | 97.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 178.8 | -66 | -13.9 | 0 | 0 | 0 | 111.2 | K19 N20 A27 | K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 2.91Å; N20-D23 PolarHBondContact O-N 2.89Å; D23-A27 VanDerWaalsContact O-CB 3.24Å; D23-A27 WeakPolarHBondContact O-CB 3.46Å; D23-A27 PolarHBondContact O-N 3.22Å |
| 24 | H | 97.8 | Very high | 95.6 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.2 | -78.7 | 74.8 | 0 | 0 | 0 | 112.2 | N20 L21 K22 K28 T83 V133 | N20-H24 PolarHBondContact O-N 3.08Å; N20-H24 PolarHBondContact O-ND1 3.41Å; L21-H24 PolarHBondContact O-N 3.3Å; K22-H24 VanDerWaalsContact C-N 3.31Å; K22-H24 PolarHBondContact O-N 2.88Å; H24-K28 WeakPolarHBondContact O-CB 3.33Å; H24-K28 PolarHBondContact O-N 3.44Å; H24-T83 HydrophobicContact CB-CG2 4.39Å; H24-V133 HydrophobicContact CB-CG1 4.48Å |
| 25 | F | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 178.1 | -171.4 | -78.2 | 0 | 0 | 0 | 111.5 | L21 K22 A27 K28 F29 E31 P33 A69 S131 V133 | L21-F25 WeakPolarHBondContact O-CB 3.41Å; L21-F25 PolarHBondContact O-N 2.71Å; K22-F25 WeakPolarHBondContact O-CB 3.17Å; K22-F25 PolarHBondContact O-N 3.37Å; K22-F25 VanDerWaalsContact O-N 3.07Å; F25-A27 PolarHBondContact O-N 3.48Å; F25-K28 PolarHBondContact O-N 2.98Å; F25-K28 VanDerWaalsContact O-N 3.14Å; F25-F29 HydrophobicContact CD1-CD2 4.32Å; F25-F29 HydrophobicContact CD2-CD2 4Å; F25-F29 HydrophobicContact CD2-CE2 4.31Å; F25-F29 HydrophobicContact CE1-CB 4.32Å; F25-F29 HydrophobicContact CE1-CD2 4.12Å; F25-F29 AromaticContact CE2-CD2 3.78Å; F25-F29 HydrophobicContact CE2-CD2 3.78Å; F25-F29 HydrophobicContact CE2-CE2 4.07Å; F25-F29 HydrophobicContact CG-CD2 4.24Å; F25-F29 AromaticContact CZ-CD2 3.83Å; F25-F29 HydrophobicContact CZ-CD2 3.83Å; F25-F29 HydrophobicContact CZ-CE2 4.49Å; F25-F29 PolarHBondContact O-N 3.25Å; F25-E31 WeakPolarHBondContact CD1-O 3.46Å; F25-E31 HydrophobicContact CE1-CG 4.03Å; F25-E31 WeakPolarHBondContact CE1-O 3.45Å; F25-P33 HydrophobicContact CD1-CB 4.05Å; F25-P33 HydrophobicContact CD1-CG 4.3Å; F25-P33 HydrophobicContact CD2-CB 4.36Å; F25-P33 HydrophobicContact CE1-CB 4.12Å; F25-P33 HydrophobicContact CE2-CB 4.44Å; F25-P33 HydrophobicContact CG-CB 4.2Å; F25-P33 HydrophobicContact CG-CG 4.44Å; F25-P33 HydrophobicContact CZ-CB 4.33Å; F25-A69 HydrophobicContact CB-CB 4.27Å; F25-A69 HydrophobicContact CD2-CB 3.62Å; F25-A69 HydrophobicContact CE2-CB 4.33Å; F25-A69 WeakPolarHBondContact CE2-O 3.39Å; F25-A69 HydrophobicContact CG-CB 4.15Å; F25-S131 WeakPolarHBondContact CE2-O 3.48Å; F25-V133 HydrophobicContact CB-CB 4.45Å; F25-V133 HydrophobicContact CB-CG2 4.01Å; F25-V133 HydrophobicContact CD2-CB 3.98Å; F25-V133 HydrophobicContact CD2-CG2 3.61Å; F25-V133 HydrophobicContact CE2-CG2 4.43Å; F25-V133 HydrophobicContact CG-CG2 4.14Å |
| 26 | E | 98.1 | Very high | 96.9 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 178.9 | -71.5 | -179.9 | 172.1 | 0 | 0 | 111.5 | K22 K28 G30 S32 | K22-E26 WeakPolarHBondContact CE-OE1 3.47Å; K22-E26 HydrophobicContact CG-CG 4.38Å; K22-E26 WeakPolarHBondContact O-CG 3.4Å; K22-E26 PolarHBondContact O-N 3.49Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.41Å; E26-G30 VanDerWaalsContact O-CA 3.26Å; E26-G30 WeakPolarHBondContact O-CA 3.41Å; E26-G30 PolarHBondContact O-N 3.46Å; E26-S32 WeakPolarHBondContact OE1-CB 3.39Å; E26-S32 PolarHBondContact OE1-OG 3.01Å |
| 27 | A | 97.9 | Very high | 97.1 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 74% | 0.744 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.3 | -33.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D23 F25 | D23-A27 VanDerWaalsContact O-CB 3.24Å; D23-A27 WeakPolarHBondContact O-CB 3.46Å; D23-A27 PolarHBondContact O-N 3.22Å; F25-A27 PolarHBondContact O-N 3.48Å |
| 28 | K | 97.9 | Very high | 97.3 | Very high | 101 Ų | 101 | 50.5 Ų | 50.5 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.8 | -42.7 | -176.9 | -172 | 63.3 | 173.1 | -173.2 | 0 | 113.3 | H24 F25 E26 A81 D89 V133 | H24-K28 WeakPolarHBondContact O-CB 3.33Å; H24-K28 PolarHBondContact O-N 3.44Å; F25-K28 PolarHBondContact O-N 2.98Å; F25-K28 VanDerWaalsContact O-N 3.14Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 3.41Å; K28-A81 HydrophobicContact CD-CB 4.5Å; K28-A81 HydrophobicContact CG-CB 4.16Å; K28-D89 WeakPolarHBondContact CE-OD2 3.26Å; K28-D89 IonicContact NZ-OD1 2.59Å; K28-D89 IonicContact NZ-OD2 3.49Å; K28-D89 PolarHBondContact NZ-OD2 2.84Å; K28-V133 HydrophobicContact CB-CG2 4.49Å |
| 29 | F | 97.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -115.3 | -9.5 | -169.1 | -63.3 | -61.4 | 0 | 0 | 0 | 114.1 | F25 E31 Q79 A81 V133 | F25-F29 HydrophobicContact CD1-CD2 4.32Å; F25-F29 HydrophobicContact CD2-CD2 4Å; F25-F29 HydrophobicContact CD2-CE2 4.31Å; F25-F29 HydrophobicContact CE1-CB 4.32Å; F25-F29 HydrophobicContact CE1-CD2 4.12Å; F25-F29 AromaticContact CE2-CD2 3.78Å; F25-F29 HydrophobicContact CE2-CD2 3.78Å; F25-F29 HydrophobicContact CE2-CE2 4.07Å; F25-F29 HydrophobicContact CG-CD2 4.24Å; F25-F29 AromaticContact CZ-CD2 3.83Å; F25-F29 HydrophobicContact CZ-CD2 3.83Å; F25-F29 HydrophobicContact CZ-CE2 4.49Å; F25-F29 PolarHBondContact O-N 3.25Å; F29-E31 HydrophobicContact CB-CG 4.24Å; F29-E31 PolarHBondContact O-N 3.23Å; F29-Q79 HydrophobicContact CE1-CB 4.01Å; F29-Q79 HydrophobicContact CZ-CB 4.23Å; F29-A81 HydrophobicContact CZ-CB 4.41Å; F29-V133 HydrophobicContact CD2-CG2 4.13Å; F29-V133 HydrophobicContact CE2-CG2 3.63Å |
| 30 | G | 96.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 74% | 0.742 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 70.5 | 13.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E26 | E26-G30 VanDerWaalsContact O-CA 3.26Å; E26-G30 WeakPolarHBondContact O-CA 3.41Å; E26-G30 PolarHBondContact O-N 3.46Å |
| 31 | E | 94.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 42 Ų | 42 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -138.6 | 155.7 | 178.2 | 67 | -177.4 | -177.3 | 0 | 0 | 109.9 | F25 F29 S71 | F25-E31 WeakPolarHBondContact CD1-O 3.46Å; F25-E31 HydrophobicContact CE1-CG 4.03Å; F25-E31 WeakPolarHBondContact CE1-O 3.45Å; F29-E31 HydrophobicContact CB-CG 4.24Å; F29-E31 PolarHBondContact O-N 3.23Å; E31-S71 VanDerWaalsContact CD-OG 3.29Å; E31-S71 WeakPolarHBondContact OE1-CB 3.09Å; E31-S71 PolarHBondContact OE1-OG 3.09Å |
| 32 | S | 95.7 | Very high | 97.7 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 48% | 0.483 | 25% | 0.245 | S | C | . | . | trans | -78.9 | 147.1 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 111 | E26 | E26-S32 WeakPolarHBondContact OE1-CB 3.39Å; E26-S32 PolarHBondContact OE1-OG 3.01Å | ||
| 33 | P | 97.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | trans | -66.4 | 143.3 | 175.8 | 28.6 | -34.6 | 0 | 0 | 0 | 111.4 | K22 F25 Y36 A69 V70 | K22-P33 HydrophobicContact CG-CG 4.34Å; F25-P33 HydrophobicContact CD1-CB 4.05Å; F25-P33 HydrophobicContact CD1-CG 4.3Å; F25-P33 HydrophobicContact CD2-CB 4.36Å; F25-P33 HydrophobicContact CE1-CB 4.12Å; F25-P33 HydrophobicContact CE2-CB 4.44Å; F25-P33 HydrophobicContact CG-CB 4.2Å; F25-P33 HydrophobicContact CG-CG 4.44Å; F25-P33 HydrophobicContact CZ-CB 4.33Å; P33-Y36 HydrophobicContact CB-CE1 4.47Å; P33-Y36 HydrophobicContact CG-CE1 3.99Å; P33-Y36 HydrophobicContact CG-CE2 4.26Å; P33-Y36 WeakPolarHBondContact CG-OH 3.37Å; P33-A69 HydrophobicContact CB-CB 3.94Å; P33-A69 HydrophobicContact CG-CB 4.31Å; P33-V70 CarbonylContact C-O 3.59Å | ||
| 34 | L | 97.6 | Very high | 97.8 | Very high | 114 Ų | 114 | 37 Ų | 37 | 60% | 0.597 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -77.5 | -38.3 | 177.1 | -179.8 | 64.5 | 0 | 0 | 0 | 112 | V70 V72 | L34-V70 WeakPolarHBondContact CB-O 3.24Å; L34-V70 PolarHBondContact N-O 2.97Å; L34-V72 HydrophobicContact CD2-CB 4.23Å; L34-V72 HydrophobicContact CD2-CG2 4.04Å |
| 35 | F | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 173.4 | 177.1 | 68.3 | -87 | 0 | 0 | 0 | 110.4 | V70 V72 L157 E160 A161 V454 L456 | F35-V70 HydrophobicContact CD1-CB 4.32Å; F35-V70 HydrophobicContact CD2-CB 4.37Å; F35-V70 HydrophobicContact CE1-CB 3.91Å; F35-V70 HydrophobicContact CE1-CG1 3.74Å; F35-V70 HydrophobicContact CE2-CB 3.97Å; F35-V70 HydrophobicContact CE2-CG1 4.33Å; F35-V70 HydrophobicContact CE2-CG2 4.03Å; F35-V70 HydrophobicContact CZ-CB 3.72Å; F35-V70 HydrophobicContact CZ-CG1 3.61Å; F35-V70 HydrophobicContact CZ-CG2 4.14Å; F35-V70 PolarHBondContact N-O 3.47Å; F35-V70 PolarHBondContact O-N 3.01Å; F35-V72 HydrophobicContact CE1-CG2 4.04Å; F35-L157 HydrophobicContact CE2-CB 3.86Å; F35-L157 HydrophobicContact CZ-CB 4.15Å; F35-E160 HydrophobicContact CD2-CG 4.28Å; F35-E160 HydrophobicContact CE1-CG 4.21Å; F35-E160 HydrophobicContact CE2-CB 4.13Å; F35-E160 HydrophobicContact CE2-CG 3.96Å; F35-E160 HydrophobicContact CZ-CB 4.04Å; F35-E160 HydrophobicContact CZ-CG 3.92Å; F35-A161 HydrophobicContact CZ-CB 4.42Å; F35-V454 HydrophobicContact CB-CG1 4.46Å; F35-V454 HydrophobicContact CD2-CG1 4.04Å; F35-L456 HydrophobicContact CB-CD2 3.78Å |
| 36 | Y | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154.9 | 170.9 | -48.9 | -104.3 | 0 | 0 | 0 | 110.3 | I10 I12 L18 L21 P33 A68 A69 V454 L455 | I10-Y36 HydrophobicContact CD1-CD2 4.08Å; I10-Y36 HydrophobicContact CD1-CE2 4.45Å; I12-Y36 HydrophobicContact CD1-CE2 3.85Å; I12-Y36 WeakPolarHBondContact CD1-OH 3.46Å; L18-Y36 HydrophobicContact CD2-CD1 3.85Å; L18-Y36 HydrophobicContact CD2-CD2 4.49Å; L18-Y36 HydrophobicContact CD2-CE1 4.08Å; L18-Y36 HydrophobicContact CD2-CG 4.09Å; L21-Y36 HydrophobicContact CD2-CD1 4.08Å; L21-Y36 HydrophobicContact CD2-CE1 4.36Å; P33-Y36 HydrophobicContact CB-CE1 4.47Å; P33-Y36 HydrophobicContact CG-CE1 3.99Å; P33-Y36 HydrophobicContact CG-CE2 4.26Å; P33-Y36 WeakPolarHBondContact CG-OH 3.37Å; Y36-A68 CarbonylContact C-O 3.54Å; Y36-A68 WeakPolarHBondContact CA-O 3.34Å; Y36-A68 WeakPolarHBondContact CB-O 3.25Å; Y36-A69 HydrophobicContact CD1-CB 3.64Å; Y36-A69 HydrophobicContact CE1-CB 3.58Å; Y36-V454 CarbonylContact O-C 3.56Å; Y36-V454 WeakPolarHBondContact O-CA 3.47Å; Y36-L455 PolarHBondContact N-O 3.16Å; Y36-L455 PolarHBondContact O-N 3.36Å |
| 37 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | L67 A68 C153 L156 L157 | A37-L67 CarbonylContact O-C 3.56Å; A37-L67 WeakPolarHBondContact O-CA 3.47Å; A37-A68 PolarHBondContact N-O 3.28Å; A37-A68 PolarHBondContact O-N 3.26Å; A37-C153 PolarHBondContact O-SG 3.06Å; A37-C153 VanDerWaalsContact O-SG 3.37Å; A37-L156 HydrophobicContact CB-CD2 4.43Å; A37-L157 HydrophobicContact CB-CB 3.89Å |
| 38 | C | 98 | Very high | 97.9 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 14% | 0.135 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.5 | 172.5 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | I66 L67 A452 A453 | C38-I66 CarbonylContact C-O 3.58Å; C38-I66 WeakPolarHBondContact CA-O 3.39Å; C38-L67 HydrophobicContact CB-CD1 3.89Å; C38-A452 WeakPolarHBondContact O-CA 3.33Å; C38-A452 VanDerWaalsContact O-CB 3.24Å; C38-A452 WeakPolarHBondContact O-CB 3.32Å; C38-A453 PolarHBondContact N-O 3.41Å; C38-A453 PolarHBondContact O-N 3.44Å; C38-A453 VanDerWaalsContact O-N 3.08Å |
| 39 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 124.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N65 I66 A149 C152 C153 A452 | A39-N65 WeakPolarHBondContact O-CA 3.44Å; A39-N65 VanDerWaalsContact O-CB 3.29Å; A39-N65 WeakPolarHBondContact O-CB 3.3Å; A39-I66 PolarHBondContact N-O 3.23Å; A39-I66 PolarHBondContact O-N 2.94Å; A39-A149 WeakPolarHBondContact CB-O 3.34Å; A39-C152 HydrophobicContact CB-CB 3.97Å; A39-C153 HydrophobicContact CB-CB 3.8Å; A39-A452 HydrophobicContact CB-CB 4.04Å |
| 40 | P | 98.6 | Very high | 98 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 153.9 | -175.5 | 34.2 | -38.9 | 0 | 0 | 0 | 112.5 | A61 I62 N65 S194 G450 | P40-A61 HydrophobicContact CB-CB 3.92Å; P40-A61 HydrophobicContact CG-CB 3.72Å; P40-I62 WeakPolarHBondContact CB-O 3.32Å; P40-N65 HydrophobicContact CB-CB 4.38Å; P40-S194 WeakPolarHBondContact CD-O 3.28Å; P40-S194 PolarHBondContact O-OG 3.07Å; P40-G450 WeakPolarHBondContact CG-O 3.34Å |
| 41 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -173.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A61 I62 Q64 I138 L144 | G41-A61 WeakPolarHBondContact O-CA 3.41Å; G41-I62 PolarHBondContact O-N 3.42Å; G41-Q64 PolarHBondContact N-O 3.09Å; G41-I138 VanDerWaalsContact CA-CD1 3.49Å; G41-I138 VanDerWaalsContact N-CD1 3.33Å; G41-L144 WeakPolarHBondContact CA-O 3.42Å |
| 42 | R | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 12.8 Ų | 12.8 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 156.8 | -177.9 | 65.4 | 96.3 | -172.7 | 98.7 | -2.4 | 113.4 | M60 G143 L144 S145 D190 I193 | R42-M60 WeakPolarHBondContact CA-O 3.49Å; R42-M60 WeakPolarHBondContact CB-O 3.47Å; R42-G143 PolarHBondContact NH1-O 3.47Å; R42-L144 PolarHBondContact N-O 2.73Å; R42-L144 CarbonylContact O-C 3.56Å; R42-L144 WeakPolarHBondContact O-CA 3.31Å; R42-S145 WeakPolarHBondContact CG-OG 3.46Å; R42-S145 PolarHBondContact NE-OG 2.89Å; R42-S145 PolarHBondContact NH1-OG 3.1Å; R42-S145 PolarHBondContact NH2-OG 3.14Å; R42-D190 IonicContact CZ-OD1 2.76Å; R42-D190 IonicContact CZ-OD2 3.06Å; R42-D190 IonicContact NE-OD1 2.68Å; R42-D190 PolarHBondContact NE-OD1 2.79Å; R42-D190 IonicContact NE-OD2 3.65Å; R42-D190 VanDerWaalsContact NH2-CG 3.25Å; R42-D190 IonicContact NH2-OD1 2.68Å; R42-D190 PolarHBondContact NH2-OD1 3.5Å; R42-D190 IonicContact NH2-OD2 3.12Å; R42-D190 PolarHBondContact NH2-OD2 3.39Å; R42-I193 HydrophobicContact CB-CG2 3.41Å; R42-I193 VanDerWaalsContact CB-CG2 3.41Å; R42-I193 HydrophobicContact CG-CG2 3.55Å |
| 43 | V | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.2 | 165.2 | 59.9 | 0 | 0 | 0 | 0 | 109 | L45 P59 M60 I62 I225 T400 V409 | V43-L45 HydrophobicContact CG1-CD2 4.09Å; V43-L45 HydrophobicContact CG2-CD2 4.41Å; V43-P59 VanDerWaalsContact O-CA 3.24Å; V43-P59 WeakPolarHBondContact O-CA 3.28Å; V43-P59 WeakPolarHBondContact O-CB 3.35Å; V43-M60 HydrophobicContact CG1-CE 3.59Å; V43-M60 HydrophobicContact CG1-CG 3.55Å; V43-M60 HydrophobicContact CG1-SD 4.44Å; V43-M60 PolarHBondContact N-O 2.75Å; V43-M60 PolarHBondContact O-N 3.49Å; V43-I62 HydrophobicContact CB-CG2 4.09Å; V43-I62 HydrophobicContact CG1-CG2 3.85Å; V43-I225 HydrophobicContact CB-CD1 3.83Å; V43-I225 HydrophobicContact CG1-CD1 4.33Å; V43-I225 HydrophobicContact CG2-CD1 3.52Å; V43-T400 HydrophobicContact CG2-CG2 4.13Å; V43-V409 HydrophobicContact CG2-CB 3.6Å; V43-V409 HydrophobicContact CG2-CG1 4.03Å; V43-V409 HydrophobicContact CG2-CG2 3.67Å |
| 44 | N | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114.4 | 171.5 | -169.6 | 19.3 | 0 | 0 | 0 | 108.7 | I46 G47 E48 M189 R398 T400 | N44-I46 PolarHBondContact OD1-O 3.44Å; N44-G47 VanDerWaalsContact ND2-C 3.29Å; N44-G47 PolarHBondContact ND2-O 3.47Å; N44-E48 PolarHBondContact ND2-OE1 3.46Å; N44-E48 PolarHBondContact ND2-OE2 3.26Å; N44-M189 HydrophobicContact CB-CE 4.09Å; N44-M189 HydrophobicContact CB-SD 3.85Å; N44-M189 PolarHBondContact ND2-SD 3.48Å; N44-M189 VanDerWaalsContact ND2-SD 3.43Å; N44-R398 PolarHBondContact O-NH1 3.45Å; N44-T400 PolarHBondContact N-OG1 2.93Å |
| 45 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -37.2 | -176.2 | -55.6 | -178.3 | 0 | 0 | 0 | 110.9 | V43 L58 M60 A202 L217 F223 R398 V409 | V43-L45 HydrophobicContact CG1-CD2 4.09Å; V43-L45 HydrophobicContact CG2-CD2 4.41Å; L45-L58 HydrophobicContact CB-CD2 4.36Å; L45-L58 VanDerWaalsContact CB-O 3.22Å; L45-L58 WeakPolarHBondContact CB-O 3.39Å; L45-L58 HydrophobicContact CD1-CD2 3.87Å; L45-L58 HydrophobicContact CG-CD2 4.49Å; L45-L58 WeakPolarHBondContact CG-O 3.41Å; L45-L58 PolarHBondContact N-O 2.94Å; L45-M60 HydrophobicContact CD2-CE 4.19Å; L45-M60 HydrophobicContact CD2-CG 4.46Å; L45-M60 HydrophobicContact CD2-SD 4.49Å; L45-A202 HydrophobicContact CD1-CB 4.09Å; L45-L217 HydrophobicContact CD1-CD1 4.1Å; L45-L217 HydrophobicContact CD1-CD2 3.61Å; L45-L217 HydrophobicContact CD1-CG 4.5Å; L45-F223 HydrophobicContact CD1-CE1 4.4Å; L45-F223 HydrophobicContact CD1-CZ 4.26Å; L45-F223 HydrophobicContact CD2-CD1 3.69Å; L45-F223 HydrophobicContact CD2-CE1 3.76Å; L45-F223 HydrophobicContact CD2-CG 4.21Å; L45-F223 HydrophobicContact CD2-CZ 4.35Å; L45-R398 WeakPolarHBondContact O-CD 3.4Å; L45-V409 HydrophobicContact CD2-CG2 4.3Å |
| 46 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 153.1 | 174.6 | -164.9 | 158 | 0 | 0 | 0 | 109.6 | N44 L58 R341 V342 F345 L363 | N44-I46 PolarHBondContact OD1-O 3.44Å; I46-L58 HydrophobicContact CG2-CB 3.99Å; I46-L58 PolarHBondContact O-N 3.05Å; I46-L58 VanDerWaalsContact O-N 3.13Å; I46-R341 HydrophobicContact CD1-CB 3.73Å; I46-R341 HydrophobicContact CG1-CB 4.33Å; I46-V342 HydrophobicContact CG2-CG2 4.12Å; I46-F345 HydrophobicContact CB-CD2 4.28Å; I46-F345 HydrophobicContact CD1-CD2 4.11Å; I46-F345 HydrophobicContact CG2-CB 3.84Å; I46-F345 HydrophobicContact CG2-CD1 4.44Å; I46-F345 HydrophobicContact CG2-CD2 3.75Å; I46-F345 HydrophobicContact CG2-CE2 4.44Å; I46-F345 HydrophobicContact CG2-CG 3.76Å; I46-L363 HydrophobicContact CD1-CB 3.86Å |
| 47 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | 105.2 | 45.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N44 V57 E338 | N44-G47 VanDerWaalsContact ND2-C 3.29Å; N44-G47 PolarHBondContact ND2-O 3.47Å; G47-V57 WeakPolarHBondContact O-CG1 3.35Å; G47-E338 WeakPolarHBondContact CA-OE1 3.36Å; G47-E338 PolarHBondContact N-OE1 2.55Å | ||
| 48 | E | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 1% | 0.014 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 144.7 | 179 | -137.7 | 61.8 | -109.6 | 0 | 0 | 111.9 | N44 I50 H334 E338 R398 L399 G401 | N44-E48 PolarHBondContact ND2-OE1 3.46Å; N44-E48 PolarHBondContact ND2-OE2 3.26Å; E48-I50 VanDerWaalsContact O-CG2 3.3Å; E48-I50 WeakPolarHBondContact O-CG2 3.41Å; E48-I50 PolarHBondContact O-N 3.37Å; E48-H334 PolarHBondContact O-NE2 2.82Å; E48-E338 PolarHBondContact N-OE1 3.35Å; E48-E338 VanDerWaalsContact N-OE1 3.16Å; E48-R398 VanDerWaalsContact CB-NH2 3.34Å; E48-R398 IonicContact OE2-CZ 3.5Å; E48-R398 VanDerWaalsContact OE2-CZ 3.31Å; E48-R398 IonicContact OE2-NH1 2.94Å; E48-R398 PolarHBondContact OE2-NH1 3.2Å; E48-R398 IonicContact OE2-NH2 2.69Å; E48-R398 PolarHBondContact OE2-NH2 3.18Å; E48-L399 HydrophobicContact CG-CD1 4.03Å; E48-G401 WeakPolarHBondContact CG-O 3.5Å; E48-G401 VanDerWaalsContact OE1-C 3.28Å; E48-G401 WeakPolarHBondContact OE1-CA 3.48Å; E48-G401 PolarHBondContact OE1-N 2.76Å; E48-G401 VanDerWaalsContact OE1-N 3.09Å; E48-G401 VanDerWaalsContact OE1-O 3.11Å; E48-G401 PolarHBondContact OE2-N 3.45Å; E48-G401 VanDerWaalsContact OE2-N 3.13Å |
| 49 | H | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 4.9 Ų | 4.9 | 2% | 0.023 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.2 | 169.9 | -75.5 | -74.1 | 0 | 0 | 0 | 116.2 | Y52 Y240 Y375 C377 A402 W404 | H49-Y52 WeakPolarHBondContact CA-OH 3.48Å; H49-Y52 HydrophobicContact CB-CE1 4.38Å; H49-Y52 WeakPolarHBondContact CB-OH 3.22Å; H49-Y52 AromaticContact ND1-CE1 3.78Å; H49-Y52 AromaticContact ND1-CZ 3.79Å; H49-Y52 PolarHBondContact ND1-OH 2.94Å; H49-Y52 VanDerWaalsContact O-CZ 3.23Å; H49-Y52 PolarHBondContact O-OH 2.92Å; H49-Y52 VanDerWaalsContact O-OH 3.1Å; H49-Y240 AromaticContact CE1-CD2 3.96Å; H49-Y240 AromaticContact CE1-CE2 3.85Å; H49-Y375 HydrophobicContact CB-CD1 3.8Å; H49-Y375 HydrophobicContact CB-CE1 3.33Å; H49-Y375 HydrophobicContact CB-CE2 4.39Å; H49-Y375 AromaticContact CD2-CD1 3.6Å; H49-Y375 AromaticContact CD2-CE1 3.67Å; H49-Y375 AromaticContact CE1-CE1 3.86Å; H49-Y375 AromaticContact CG-CD1 3.57Å; H49-Y375 AromaticContact CG-CE1 3.16Å; H49-Y375 AromaticContact CG-CZ 3.97Å; H49-Y375 AromaticContact ND1-CE1 3.32Å; H49-Y375 VanDerWaalsContact ND1-CE1 3.32Å; H49-Y375 WeakPolarHBondContact ND1-CE1 3.19Å; H49-C377 VanDerWaalsContact CD2-SG 3.6Å; H49-A402 PolarHBondContact NE2-O 2.74Å; H49-W404 AromaticContact CE1-CH2 3.82Å; H49-W404 AromaticContact CE1-CZ3 3.99Å |
| 50 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | trans | -117 | -11.6 | 178.9 | 69.3 | 178.5 | 0 | 0 | 0 | 113.9 | E48 C53 G54 Y55 S56 V57 V335 E338 A339 V342 | E48-I50 VanDerWaalsContact O-CG2 3.3Å; E48-I50 WeakPolarHBondContact O-CG2 3.41Å; E48-I50 PolarHBondContact O-N 3.37Å; I50-C53 CarbonylContact O-C 3.59Å; I50-C53 WeakPolarHBondContact O-CA 3.48Å; I50-C53 WeakPolarHBondContact O-CB 3.34Å; I50-C53 PolarHBondContact O-N 2.79Å; I50-C53 VanDerWaalsContact O-N 3.1Å; I50-G54 PolarHBondContact O-N 2.72Å; I50-G54 VanDerWaalsContact O-N 3.14Å; I50-Y55 PolarHBondContact O-N 3.45Å; I50-S56 VanDerWaalsContact CD1-O 3.28Å; I50-S56 WeakPolarHBondContact CD1-O 3.43Å; I50-V57 HydrophobicContact CD1-CG1 4.17Å; I50-V57 HydrophobicContact CG1-CG1 3.68Å; I50-V335 HydrophobicContact CB-CG1 4.29Å; I50-V335 HydrophobicContact CG2-CB 4.13Å; I50-V335 HydrophobicContact CG2-CG1 3.91Å; I50-V335 HydrophobicContact CG2-CG2 4.17Å; I50-E338 HydrophobicContact CD1-CG 4.19Å; I50-E338 HydrophobicContact CG2-CB 3.82Å; I50-E338 HydrophobicContact CG2-CG 3.98Å; I50-A339 HydrophobicContact CD1-CB 4.21Å; I50-V342 HydrophobicContact CD1-CG2 3.92Å | ||
| 51 | D | 98.3 | Very high | 98.5 | Very high | 8 Ų | 8 | 4.5 Ų | 4.5 | 4% | 0.043 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -44.3 | -176.9 | 67.2 | -31 | 0 | 0 | 0 | 112.3 | C53 G54 V57 G187 G188 M189 F207 | D51-C53 PolarHBondContact O-N 2.74Å; D51-G54 PolarHBondContact O-N 2.81Å; D51-V57 HydrophobicContact CB-CG1 3.96Å; D51-G187 WeakPolarHBondContact OD2-CA 3.38Å; D51-G188 PolarHBondContact OD2-N 3.02Å; D51-M189 HydrophobicContact CB-CB 4.05Å; D51-M189 WeakPolarHBondContact OD2-CB 3.24Å; D51-M189 PolarHBondContact OD2-N 3.17Å; D51-F207 HydrophobicContact CB-CD2 4.47Å; D51-F207 HydrophobicContact CB-CE2 3.58Å; D51-F207 HydrophobicContact CB-CZ 3.69Å |
| 52 | Y | 97.5 | Very high | 98.5 | Very high | 16 Ų | 16 | 4.5 Ų | 4.5 | 6% | 0.063 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -21.9 | 171 | 52.5 | -98.8 | 0 | 0 | 0 | 112.7 | H49 G54 Y240 V244 C247 K267 Y375 | H49-Y52 WeakPolarHBondContact CA-OH 3.48Å; H49-Y52 HydrophobicContact CB-CE1 4.38Å; H49-Y52 WeakPolarHBondContact CB-OH 3.22Å; H49-Y52 AromaticContact ND1-CE1 3.78Å; H49-Y52 AromaticContact ND1-CZ 3.79Å; H49-Y52 PolarHBondContact ND1-OH 2.94Å; H49-Y52 VanDerWaalsContact O-CZ 3.23Å; H49-Y52 PolarHBondContact O-OH 2.92Å; H49-Y52 VanDerWaalsContact O-OH 3.1Å; Y52-G54 PolarHBondContact O-N 2.89Å; Y52-Y240 HydrophobicContact CD1-CE1 4.4Å; Y52-Y240 VanDerWaalsContact CD1-OH 3.26Å; Y52-Y240 WeakPolarHBondContact CD1-OH 3.48Å; Y52-Y240 HydrophobicContact CE1-CE1 4.29Å; Y52-Y240 HydrophobicContact CE1-CE2 4.49Å; Y52-Y240 AromaticContact CE1-CZ 3.81Å; Y52-Y240 VanDerWaalsContact CE1-OH 3.29Å; Y52-Y240 WeakPolarHBondContact CE1-OH 3.46Å; Y52-V244 HydrophobicContact CD1-CG2 4.13Å; Y52-V244 HydrophobicContact CD2-CB 4.43Å; Y52-V244 HydrophobicContact CD2-CG1 4.35Å; Y52-V244 HydrophobicContact CD2-CG2 3.94Å; Y52-V244 HydrophobicContact CE1-CG2 4.1Å; Y52-V244 HydrophobicContact CE2-CB 4.48Å; Y52-V244 HydrophobicContact CE2-CG2 3.96Å; Y52-V244 HydrophobicContact CG-CG2 4.02Å; Y52-C247 HydrophobicContact CE2-CB 4.48Å; Y52-K267 VanDerWaalsContact O-CD 3.31Å; Y52-K267 WeakPolarHBondContact O-CD 3.08Å; Y52-K267 WeakPolarHBondContact O-CE 3.48Å; Y52-K267 WeakPolarHBondContact O-CG 3.26Å; Y52-Y375 PolarHBondContact OH-OH 2.94Å |
| 53 | C | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.3 | 169.1 | -61.8 | 0 | 0 | 0 | 0 | 113.3 | I50 D51 Y55 C247 K267 L268 S269 V335 | I50-C53 CarbonylContact O-C 3.59Å; I50-C53 WeakPolarHBondContact O-CA 3.48Å; I50-C53 WeakPolarHBondContact O-CB 3.34Å; I50-C53 PolarHBondContact O-N 2.79Å; I50-C53 VanDerWaalsContact O-N 3.1Å; D51-C53 PolarHBondContact O-N 2.74Å; C53-Y55 HydrophobicContact CB-CD2 4.22Å; C53-C247 VanDerWaalsContact SG-CB 3.59Å; C53-K267 WeakPolarHBondContact O-CB 3.39Å; C53-L268 HydrophobicContact CB-CB 4.4Å; C53-S269 VanDerWaalsContact O-CB 3.29Å; C53-S269 WeakPolarHBondContact O-CB 3.46Å; C53-S269 PolarHBondContact O-N 2.92Å; C53-S269 PolarHBondContact O-OG 2.84Å; C53-S269 VanDerWaalsContact O-OG 3.04Å; C53-V335 HydrophobicContact CB-CG1 3.73Å |
| 54 | G | 97.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 12% | 0.124 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 17.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I50 D51 Y52 S269 | I50-G54 PolarHBondContact O-N 2.72Å; I50-G54 VanDerWaalsContact O-N 3.14Å; D51-G54 PolarHBondContact O-N 2.81Å; Y52-G54 PolarHBondContact O-N 2.89Å; G54-S269 WeakPolarHBondContact CA-OG 3.33Å; G54-S269 PolarHBondContact O-OG 3.12Å |
| 55 | Y | 98.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 13.7 Ų | 13.7 | 7% | 0.071 | 7% | 0.07 | C | C | . | . | trans | -96.3 | 154.1 | 175.1 | -77.7 | -68.5 | 0 | 0 | 0 | 112.1 | I50 C53 F207 L268 S269 Q272 L279 V335 Y336 A339 | I50-Y55 PolarHBondContact O-N 3.45Å; C53-Y55 HydrophobicContact CB-CD2 4.22Å; Y55-F207 VanDerWaalsContact O-CD2 3.23Å; Y55-F207 WeakPolarHBondContact O-CD2 3.5Å; Y55-F207 WeakPolarHBondContact O-CE2 3.29Å; Y55-L268 HydrophobicContact CE2-CB 4.26Å; Y55-S269 WeakPolarHBondContact OH-CA 3.46Å; Y55-Q272 VanDerWaalsContact CZ-OE1 3.29Å; Y55-Q272 WeakPolarHBondContact OH-CB 3.42Å; Y55-Q272 PolarHBondContact OH-OE1 2.95Å; Y55-L279 HydrophobicContact CE1-CD2 3.9Å; Y55-V335 HydrophobicContact CD2-CG1 3.66Å; Y55-V335 HydrophobicContact CE2-CG1 3.79Å; Y55-Y336 AromaticContact CE2-CD1 3.95Å; Y55-Y336 HydrophobicContact CE2-CD1 3.95Å; Y55-Y336 HydrophobicContact CE2-CE1 4.02Å; Y55-Y336 AromaticContact CZ-CD1 3.82Å; Y55-Y336 AromaticContact CZ-CE1 3.93Å; Y55-Y336 WeakPolarHBondContact OH-CD1 3.37Å; Y55-Y336 WeakPolarHBondContact OH-CE1 3.4Å; Y55-A339 HydrophobicContact CD1-CB 3.53Å; Y55-A339 HydrophobicContact CD2-CB 4.11Å; Y55-A339 HydrophobicContact CE1-CB 3.99Å; Y55-A339 HydrophobicContact CE2-CB 4.5Å; Y55-A339 HydrophobicContact CG-CB 3.6Å | ||
| 56 | S | 98.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 14.3 Ų | 14.3 | 17% | 0.168 | 7% | 0.073 | C | C | . | . | trans | -68.1 | 150.5 | 176.9 | -48 | 0 | 0 | 0 | 0 | 112.1 | I50 I205 E206 | I50-S56 VanDerWaalsContact CD1-O 3.28Å; I50-S56 WeakPolarHBondContact CD1-O 3.43Å; S56-I205 CarbonylContact C-O 3.59Å; S56-I205 WeakPolarHBondContact CA-O 3.43Å; S56-I205 VanDerWaalsContact CB-O 3.28Å; S56-I205 WeakPolarHBondContact CB-O 3.43Å; S56-E206 WeakPolarHBondContact OG-CG 3.29Å | ||
| 57 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | B | Isolated β-bridge | trans | -131.8 | 161.4 | -179.4 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | G47 I50 D51 P59 M189 L204 I205 F207 | G47-V57 WeakPolarHBondContact O-CG1 3.35Å; I50-V57 HydrophobicContact CD1-CG1 4.17Å; I50-V57 HydrophobicContact CG1-CG1 3.68Å; D51-V57 HydrophobicContact CB-CG1 3.96Å; V57-P59 HydrophobicContact CG2-CG 4.43Å; V57-P59 WeakPolarHBondContact O-CD 3.09Å; V57-M189 HydrophobicContact CB-CG 4.48Å; V57-M189 HydrophobicContact CB-SD 3.96Å; V57-M189 HydrophobicContact CG1-SD 4.3Å; V57-M189 HydrophobicContact CG2-CB 3.92Å; V57-M189 HydrophobicContact CG2-CG 3.65Å; V57-M189 HydrophobicContact CG2-SD 3.79Å; V57-L204 CarbonylContact O-C 3.48Å; V57-L204 WeakPolarHBondContact O-CA 3.18Å; V57-I205 HydrophobicContact CG2-CB 4.01Å; V57-I205 PolarHBondContact N-O 3.49Å; V57-I205 PolarHBondContact O-N 2.66Å; V57-F207 HydrophobicContact CG1-CE2 4.43Å; V57-F207 HydrophobicContact CG2-CE2 3.91Å; V57-F207 HydrophobicContact CG2-CZ 3.77Å |
| 58 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 71.6 | -175.8 | -150 | 162.2 | 0 | 0 | 0 | 112.7 | L45 I46 A202 K203 V215 V342 F345 K346 | L45-L58 HydrophobicContact CB-CD2 4.36Å; L45-L58 VanDerWaalsContact CB-O 3.22Å; L45-L58 WeakPolarHBondContact CB-O 3.39Å; L45-L58 HydrophobicContact CD1-CD2 3.87Å; L45-L58 HydrophobicContact CG-CD2 4.49Å; L45-L58 WeakPolarHBondContact CG-O 3.41Å; L45-L58 PolarHBondContact N-O 2.94Å; I46-L58 HydrophobicContact CG2-CB 3.99Å; I46-L58 PolarHBondContact O-N 3.05Å; I46-L58 VanDerWaalsContact O-N 3.13Å; L58-A202 HydrophobicContact CD2-CB 3.99Å; L58-K203 WeakPolarHBondContact CA-O 3.46Å; L58-V215 HydrophobicContact CD1-CG1 4.27Å; L58-V215 HydrophobicContact CD1-CG2 4.3Å; L58-V215 HydrophobicContact CD2-CB 4.4Å; L58-V215 HydrophobicContact CD2-CG1 4.33Å; L58-V215 HydrophobicContact CG-CG2 4.33Å; L58-V342 HydrophobicContact CB-CG1 4.34Å; L58-F345 HydrophobicContact CD1-CB 4.38Å; L58-F345 HydrophobicContact CD1-CD1 3.62Å; L58-F345 HydrophobicContact CD1-CE1 4.33Å; L58-F345 HydrophobicContact CD1-CG 4.28Å; L58-F345 HydrophobicContact CD2-CE1 4.42Å; L58-K346 HydrophobicContact CD1-CB 4.24Å |
| 59 | P | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 171.2 | 175.6 | 37.3 | -39.4 | 0 | 0 | 0 | 113.6 | V43 V57 M189 I193 K203 I205 | V43-P59 VanDerWaalsContact O-CA 3.24Å; V43-P59 WeakPolarHBondContact O-CA 3.28Å; V43-P59 WeakPolarHBondContact O-CB 3.35Å; V57-P59 HydrophobicContact CG2-CG 4.43Å; V57-P59 WeakPolarHBondContact O-CD 3.09Å; P59-M189 HydrophobicContact CB-CG 4.29Å; P59-M189 HydrophobicContact CB-SD 4.28Å; P59-M189 HydrophobicContact CG-CG 3.99Å; P59-M189 HydrophobicContact CG-SD 4.39Å; P59-I193 HydrophobicContact CB-CB 4.23Å; P59-I193 HydrophobicContact CB-CG1 4.07Å; P59-I193 HydrophobicContact CB-CG2 4.28Å; P59-I193 HydrophobicContact CG-CB 3.81Å; P59-I193 HydrophobicContact CG-CD1 4.12Å; P59-I193 HydrophobicContact CG-CG1 3.91Å; P59-I193 HydrophobicContact CG-CG2 4.27Å; P59-K203 VanDerWaalsContact CD-O 3.31Å; P59-K203 WeakPolarHBondContact CD-O 3.29Å; P59-K203 PolarHBondContact O-N 2.88Å; P59-I205 HydrophobicContact CG-CD1 3.63Å; P59-I205 HydrophobicContact CG-CG1 4.09Å |
| 60 | M | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.8 | 160.1 | 66.8 | 179.9 | -174.3 | 0 | 0 | 110.4 | R42 V43 L45 A202 L217 F223 T446 P448 | R42-M60 WeakPolarHBondContact CA-O 3.49Å; R42-M60 WeakPolarHBondContact CB-O 3.47Å; V43-M60 HydrophobicContact CG1-CE 3.59Å; V43-M60 HydrophobicContact CG1-CG 3.55Å; V43-M60 HydrophobicContact CG1-SD 4.44Å; V43-M60 PolarHBondContact N-O 2.75Å; V43-M60 PolarHBondContact O-N 3.49Å; L45-M60 HydrophobicContact CD2-CE 4.19Å; L45-M60 HydrophobicContact CD2-CG 4.46Å; L45-M60 HydrophobicContact CD2-SD 4.49Å; M60-A202 HydrophobicContact CB-CB 4.06Å; M60-L217 HydrophobicContact SD-CD1 3.96Å; M60-F223 HydrophobicContact CE-CB 3.94Å; M60-F223 HydrophobicContact CE-CD2 4.32Å; M60-F223 HydrophobicContact CE-CG 4.18Å; M60-T446 HydrophobicContact CE-CG2 3.55Å; M60-P448 HydrophobicContact CB-CB 4.16Å; M60-P448 HydrophobicContact SD-CB 3.97Å; M60-P448 HydrophobicContact SD-CG 3.56Å; M60-P448 VanDerWaalsContact SD-CG 3.56Å |
| 61 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 145.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P40 G41 A197 A449 | P40-A61 HydrophobicContact CB-CB 3.92Å; P40-A61 HydrophobicContact CG-CB 3.72Å; G41-A61 WeakPolarHBondContact O-CA 3.41Å; A61-A197 HydrophobicContact CB-CB 3.37Å; A61-A449 HydrophobicContact CB-CB 4.26Å; A61-A449 PolarHBondContact O-N 2.72Å |
| 62 | I | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 166.2 | 171.8 | 66.6 | -176.9 | 0 | 0 | 0 | 110 | P40 G41 V43 Q64 L144 T446 A449 | P40-I62 WeakPolarHBondContact CB-O 3.32Å; G41-I62 PolarHBondContact O-N 3.42Å; V43-I62 HydrophobicContact CB-CG2 4.09Å; V43-I62 HydrophobicContact CG1-CG2 3.85Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 HydrophobicContact CD1-CB 4.04Å; I62-Q64 HydrophobicContact CG1-CB 4.17Å; I62-L144 HydrophobicContact CD1-CB 4.17Å; I62-L144 HydrophobicContact CD1-CD1 4.14Å; I62-L144 HydrophobicContact CD1-CD2 4.47Å; I62-T446 HydrophobicContact CG2-CG2 4.42Å; I62-T446 WeakPolarHBondContact CG2-OG1 3.16Å; I62-A449 VanDerWaalsContact C-CB 3.48Å; I62-A449 WeakPolarHBondContact O-CB 3.26Å |
| 63 | E | 95.8 | Very high | 98 | Very high | 127 Ų | 127 | 17.7 Ų | 17.7 | 59% | 0.593 | 10% | 0.095 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -32.7 | -178.7 | -64.9 | -177.6 | 174.3 | 0 | 0 | 112.6 | N65 A449 | E63-N65 PolarHBondContact O-N 2.95Å; E63-N65 PolarHBondContact O-ND2 3.44Å; E63-A449 HydrophobicContact CG-CB 4.24Å |
| 64 | Q | 96.7 | Very high | 97.5 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 19% | 0.192 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 132.2 | 174.2 | -65 | 77.8 | 10.8 | 0 | 0 | 110 | G41 I62 T137 I138 | G41-Q64 PolarHBondContact N-O 3.09Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 HydrophobicContact CD1-CB 4.04Å; I62-Q64 HydrophobicContact CG1-CB 4.17Å; Q64-T137 WeakPolarHBondContact CG-O 3.28Å; Q64-I138 HydrophobicContact CB-CB 4.4Å; Q64-I138 HydrophobicContact CB-CG1 3.86Å; Q64-I138 WeakPolarHBondContact O-CG1 3.44Å |
| 65 | N | 97.8 | Very high | 97.2 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163.1 | -172.6 | 62.3 | 57.5 | 0 | 0 | 0 | 111.9 | R17 A39 P40 E63 T137 | R17-N65 PolarHBondContact NH1-OD1 3.2Å; R17-N65 PolarHBondContact NH2-O 3.42Å; R17-N65 PolarHBondContact NH2-OD1 2.89Å; A39-N65 WeakPolarHBondContact O-CA 3.44Å; A39-N65 VanDerWaalsContact O-CB 3.29Å; A39-N65 WeakPolarHBondContact O-CB 3.3Å; P40-N65 HydrophobicContact CB-CB 4.38Å; E63-N65 PolarHBondContact O-N 2.95Å; E63-N65 PolarHBondContact O-ND2 3.44Å; N65-T137 PolarHBondContact N-OG1 3.42Å; N65-T137 PolarHBondContact O-N 3.22Å; N65-T137 VanDerWaalsContact O-N 3.17Å; N65-T137 PolarHBondContact O-OG1 3.46Å |
| 66 | I | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 133.1 | 159 | -60.1 | -55.9 | 0 | 0 | 0 | 107.7 | C38 A39 V134 I138 A149 L150 C153 | C38-I66 CarbonylContact C-O 3.58Å; C38-I66 WeakPolarHBondContact CA-O 3.39Å; A39-I66 PolarHBondContact N-O 3.23Å; A39-I66 PolarHBondContact O-N 2.94Å; I66-V134 HydrophobicContact CG2-CG1 3.8Å; I66-I138 HydrophobicContact CD1-CD1 4.39Å; I66-I138 HydrophobicContact CG1-CD1 4.17Å; I66-A149 HydrophobicContact CB-CB 4.43Å; I66-A149 HydrophobicContact CG1-CB 3.75Å; I66-L150 HydrophobicContact CG1-CB 4.2Å; I66-L150 HydrophobicContact CG2-CD1 4.04Å; I66-C153 HydrophobicContact CB-CB 4.26Å; I66-C153 HydrophobicContact CG2-CB 3.91Å |
| 67 | L | 98.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.4 | 175.3 | -179.5 | 66.7 | 0 | 0 | 0 | 107.8 | R17 L18 L21 A37 C38 D135 L455 | R17-L67 HydrophobicContact CG-CD2 4.43Å; L18-L67 HydrophobicContact CD2-CD1 4.29Å; L18-L67 HydrophobicContact CD2-CD2 3.82Å; L18-L67 HydrophobicContact CG-CD2 4.25Å; L21-L67 HydrophobicContact CD2-CB 4.38Å; L21-L67 HydrophobicContact CD2-CD2 3.63Å; L21-L67 HydrophobicContact CD2-CG 3.56Å; A37-L67 CarbonylContact O-C 3.56Å; A37-L67 WeakPolarHBondContact O-CA 3.47Å; C38-L67 HydrophobicContact CB-CD1 3.89Å; L67-D135 PolarHBondContact N-O 2.87Å; L67-D135 PolarHBondContact O-N 3.44Å; L67-D135 VanDerWaalsContact O-O 3.1Å; L67-L455 HydrophobicContact CD1-CD1 3.9Å |
| 68 | A | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y36 A37 V70 V133 V134 L157 | Y36-A68 CarbonylContact C-O 3.54Å; Y36-A68 WeakPolarHBondContact CA-O 3.34Å; Y36-A68 WeakPolarHBondContact CB-O 3.25Å; A37-A68 PolarHBondContact N-O 3.28Å; A37-A68 PolarHBondContact O-N 3.26Å; A68-V70 HydrophobicContact CB-CG2 4.47Å; A68-V133 VanDerWaalsContact CA-O 3.31Å; A68-V133 WeakPolarHBondContact CA-O 3.35Å; A68-V134 HydrophobicContact CB-CG2 4.28Å; A68-L157 HydrophobicContact CB-CD2 3.84Å |
| 69 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L21 F25 P33 Y36 C132 V133 | L21-A69 HydrophobicContact CD1-CB 4.23Å; L21-A69 HydrophobicContact CD2-CB 3.97Å; L21-A69 HydrophobicContact CG-CB 3.81Å; F25-A69 HydrophobicContact CB-CB 4.27Å; F25-A69 HydrophobicContact CD2-CB 3.62Å; F25-A69 HydrophobicContact CE2-CB 4.33Å; F25-A69 WeakPolarHBondContact CE2-O 3.39Å; F25-A69 HydrophobicContact CG-CB 4.15Å; P33-A69 HydrophobicContact CB-CB 3.94Å; P33-A69 HydrophobicContact CG-CB 4.31Å; Y36-A69 HydrophobicContact CD1-CB 3.64Å; Y36-A69 HydrophobicContact CE1-CB 3.58Å; A69-C132 VanDerWaalsContact O-CA 3.3Å; A69-C132 WeakPolarHBondContact O-CA 3.33Å; A69-V133 PolarHBondContact N-O 3.41Å; A69-V133 PolarHBondContact O-N 3.48Å |
| 70 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.9 | -168.4 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | P33 L34 F35 A68 M130 S131 L157 | P33-V70 CarbonylContact C-O 3.59Å; L34-V70 WeakPolarHBondContact CB-O 3.24Å; L34-V70 PolarHBondContact N-O 2.97Å; F35-V70 HydrophobicContact CD1-CB 4.32Å; F35-V70 HydrophobicContact CD2-CB 4.37Å; F35-V70 HydrophobicContact CE1-CB 3.91Å; F35-V70 HydrophobicContact CE1-CG1 3.74Å; F35-V70 HydrophobicContact CE2-CB 3.97Å; F35-V70 HydrophobicContact CE2-CG1 4.33Å; F35-V70 HydrophobicContact CE2-CG2 4.03Å; F35-V70 HydrophobicContact CZ-CB 3.72Å; F35-V70 HydrophobicContact CZ-CG1 3.61Å; F35-V70 HydrophobicContact CZ-CG2 4.14Å; F35-V70 PolarHBondContact N-O 3.47Å; F35-V70 PolarHBondContact O-N 3.01Å; A68-V70 HydrophobicContact CB-CG2 4.47Å; V70-M130 HydrophobicContact CG1-CB 4.31Å; V70-S131 WeakPolarHBondContact CA-O 3.4Å; V70-L157 HydrophobicContact CG2-CB 4.07Å; V70-L157 HydrophobicContact CG2-CD1 4.42Å; V70-L157 HydrophobicContact CG2-CD2 4.03Å; V70-L157 HydrophobicContact CG2-CG 4.39Å |
| 71 | S | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.4 | 162.1 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | E31 M130 S131 | E31-S71 VanDerWaalsContact CD-OG 3.29Å; E31-S71 WeakPolarHBondContact OE1-CB 3.09Å; E31-S71 PolarHBondContact OE1-OG 3.09Å; S71-M130 CarbonylContact O-C 3.51Å; S71-M130 WeakPolarHBondContact O-CA 3.35Å; S71-M130 WeakPolarHBondContact O-CB 3.44Å; S71-S131 PolarHBondContact N-O 2.92Å; S71-S131 PolarHBondContact O-N 3.28Å |
| 72 | V | 97.4 | Very high | 96.8 | Very high | 52 Ų | 52 | 31.5 Ų | 31.5 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.9 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | L34 F35 A128 A161 | L34-V72 HydrophobicContact CD2-CB 4.23Å; L34-V72 HydrophobicContact CD2-CG2 4.04Å; F35-V72 HydrophobicContact CE1-CG2 4.04Å; V72-A128 HydrophobicContact CG1-CB 4.04Å; V72-A161 HydrophobicContact CG2-CB 3.73Å |
| 73 | N | 93.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 33 Ų | 33 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 171 | -171.7 | 63 | 53.1 | 0 | 0 | 0 | 113.3 | S75 G129 S131 | N73-S75 VanDerWaalsContact C-N 3.33Å; N73-S75 WeakPolarHBondContact OD1-CB 3.47Å; N73-S75 PolarHBondContact OD1-N 2.93Å; N73-S75 VanDerWaalsContact OD1-N 3.11Å; N73-S75 PolarHBondContact OD1-OG 3.38Å; N73-G129 PolarHBondContact N-O 3.25Å; N73-G129 CarbonylContact O-C 3.49Å; N73-G129 VanDerWaalsContact O-CA 3.3Å; N73-G129 WeakPolarHBondContact O-CA 3.35Å; N73-G129 PolarHBondContact O-N 2.83Å; N73-S131 PolarHBondContact ND2-OG 3.45Å |
| 74 | N | 89.3 | Confident | 96.8 | Very high | 174 Ų | 174 | 29.8 Ų | 29.8 | 93% | 0.93 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -93.8 | 19.3 | -179.1 | -66 | -37.6 | 0 | 0 | 0 | 113.2 | G76 | N74-G76 PolarHBondContact O-N 3.27Š|
| 75 | S | 92.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 39% | 0.385 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -66.7 | -17.5 | -177.5 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | N73 T77 | N73-S75 VanDerWaalsContact C-N 3.33Å; N73-S75 WeakPolarHBondContact OD1-CB 3.47Å; N73-S75 PolarHBondContact OD1-N 2.93Å; N73-S75 VanDerWaalsContact OD1-N 3.11Å; N73-S75 PolarHBondContact OD1-OG 3.38Å; S75-T77 PolarHBondContact O-N 2.76Å; S75-T77 PolarHBondContact OG-N 3.3Å; S75-T77 PolarHBondContact OG-O 3.01Å; S75-T77 VanDerWaalsContact OG-O 3.12Å; S75-T77 PolarHBondContact OG-OG1 3.06Å |
| 76 | G | 93.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 68.4 | 15.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N74 C94 | N74-G76 PolarHBondContact O-N 3.27Å; G76-C94 VanDerWaalsContact C-SG 3.59Å; G76-C94 WeakPolarHBondContact O-CB 3.38Å; G76-C94 PolarHBondContact O-N 3.06Å |
| 77 | T | 97.2 | Very high | 96.5 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 13% | 0.129 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.5 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | S75 K91 V92 C94 G129 M130 | S75-T77 PolarHBondContact O-N 2.76Å; S75-T77 PolarHBondContact OG-N 3.3Å; S75-T77 PolarHBondContact OG-O 3.01Å; S75-T77 VanDerWaalsContact OG-O 3.12Å; S75-T77 PolarHBondContact OG-OG1 3.06Å; T77-K91 VanDerWaalsContact CB-CE 3.48Å; T77-K91 VanDerWaalsContact OG1-CE 3.27Å; T77-K91 WeakPolarHBondContact OG1-CE 3.4Å; T77-V92 CarbonylContact C-O 3.54Å; T77-V92 WeakPolarHBondContact CA-O 3.43Å; T77-V92 WeakPolarHBondContact CB-O 3.29Å; T77-C94 VanDerWaalsContact CA-SG 3.57Å; T77-G129 WeakPolarHBondContact O-CA 3.31Å; T77-M130 PolarHBondContact O-N 2.77Å |
| 78 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.3 | 166.5 | -56.6 | 178.2 | 0 | 0 | 0 | 106.7 | L80 K91 V92 F111 V115 L127 M130 | I78-L80 HydrophobicContact CG2-CD2 3.64Å; I78-L80 HydrophobicContact CG2-CG 4.12Å; I78-K91 WeakPolarHBondContact O-CA 3.42Å; I78-V92 HydrophobicContact CB-CG1 3.87Å; I78-V92 HydrophobicContact CD1-CG1 4.42Å; I78-V92 HydrophobicContact CG1-CG1 4.42Å; I78-V92 PolarHBondContact N-O 2.9Å; I78-V92 PolarHBondContact O-N 3.45Å; I78-F111 HydrophobicContact CG2-CE1 4.31Å; I78-V115 HydrophobicContact CD1-CG1 3.66Å; I78-V115 HydrophobicContact CD1-CG2 4.23Å; I78-L127 HydrophobicContact CD1-CD1 4.34Å; I78-M130 CarbonylContact C-O 3.42Å; I78-M130 WeakPolarHBondContact CA-O 3.47Å; I78-M130 HydrophobicContact CB-CG 4.25Å; I78-M130 HydrophobicContact CD1-CE 4.24Å; I78-M130 HydrophobicContact CG1-CE 4.31Å; I78-M130 HydrophobicContact CG1-CG 4.05Å; I78-M130 HydrophobicContact CG2-CG 3.81Å; I78-M130 HydrophobicContact CG2-SD 4.28Å |
| 79 | Q | 98.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.2 | 178.8 | -59 | -180 | 49.8 | 0 | 0 | 109 | F29 K91 M130 C132 | F29-Q79 HydrophobicContact CE1-CB 4.01Å; F29-Q79 HydrophobicContact CZ-CB 4.23Å; Q79-K91 HydrophobicContact CG-CD 4.28Å; Q79-K91 HydrophobicContact CG-CG 4.22Å; Q79-M130 PolarHBondContact N-O 2.95Å; Q79-C132 PolarHBondContact O-N 2.89Å |
| 80 | L | 98.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.5 | -175.7 | -55.1 | -178.1 | 0 | 0 | 0 | 109.6 | I78 D89 F90 W107 F111 C132 | I78-L80 HydrophobicContact CG2-CD2 3.64Å; I78-L80 HydrophobicContact CG2-CG 4.12Å; L80-D89 CarbonylContact O-C 3.52Å; L80-D89 VanDerWaalsContact O-CA 3.23Å; L80-D89 WeakPolarHBondContact O-CA 3.4Å; L80-D89 WeakPolarHBondContact O-CB 3.48Å; L80-F90 HydrophobicContact CB-CB 4.41Å; L80-F90 HydrophobicContact CD1-CD1 4.28Å; L80-F90 PolarHBondContact N-O 2.68Å; L80-F90 PolarHBondContact O-N 2.79Å; L80-W107 HydrophobicContact CB-CH2 3.93Å; L80-W107 HydrophobicContact CB-CZ2 4.19Å; L80-F111 HydrophobicContact CD1-CB 4.11Å; L80-F111 HydrophobicContact CD1-CD1 3.82Å; L80-F111 HydrophobicContact CD1-CE1 4.4Å; L80-F111 HydrophobicContact CD1-CG 3.92Å; L80-F111 HydrophobicContact CD2-CD1 3.81Å; L80-F111 HydrophobicContact CD2-CD2 4.2Å; L80-F111 HydrophobicContact CD2-CE1 3.54Å; L80-F111 HydrophobicContact CD2-CE2 3.93Å; L80-F111 HydrophobicContact CD2-CG 4.14Å; L80-F111 HydrophobicContact CD2-CZ 3.6Å; L80-F111 HydrophobicContact CG-CD1 4.48Å; L80-C132 HydrophobicContact CD2-CB 3.83Å |
| 81 | A | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 166.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K28 F29 D89 C132 V133 V134 | K28-A81 HydrophobicContact CD-CB 4.5Å; K28-A81 HydrophobicContact CG-CB 4.16Å; F29-A81 HydrophobicContact CZ-CB 4.41Å; A81-D89 WeakPolarHBondContact CA-OD1 3.48Å; A81-D89 VanDerWaalsContact CB-OD1 3.25Å; A81-D89 WeakPolarHBondContact CB-OD1 3.24Å; A81-C132 PolarHBondContact N-O 2.89Å; A81-V133 HydrophobicContact CB-CG2 4.24Å; A81-V133 WeakPolarHBondContact O-CA 3.28Å; A81-V134 PolarHBondContact O-N 3.49Å |
| 82 | N | 98.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.8 | 179 | -156.7 | -74.7 | 0 | 0 | 0 | 110.5 | N84 Y87 W107 V134 | N82-N84 PolarHBondContact O-N 3Å; N82-N84 WeakPolarHBondContact OD1-CB 3.44Å; N82-N84 PolarHBondContact OD1-N 3.47Å; N82-Y87 HydrophobicContact CB-CD2 4.47Å; N82-W107 HydrophobicContact CB-CH2 4.34Å; N82-W107 HydrophobicContact CB-CZ2 4.28Å; N82-V134 VanDerWaalsContact CA-O 3.31Å; N82-V134 WeakPolarHBondContact CA-O 3.01Å; N82-V134 VanDerWaalsContact CG-O 3.29Å; N82-V134 PolarHBondContact OD1-O 3.43Å |
| 83 | T | 97.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -66.8 | -27.1 | 173.5 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | L21 H24 V133 V134 D135 | L21-T83 HydrophobicContact CD1-CG2 3.82Å; H24-T83 HydrophobicContact CB-CG2 4.39Å; T83-V133 HydrophobicContact CG2-CG1 3.89Å; T83-V134 PolarHBondContact N-O 3.23Å; T83-D135 HydrophobicContact CG2-CB 3.84Å; T83-D135 PolarHBondContact OG1-OD2 3.26Å |
| 84 | N | 95.7 | Very high | 96.1 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -91.6 | 118.4 | 175.9 | -172.7 | -28.5 | 0 | 0 | 0 | 110.9 | N82 Q86 Y87 | N82-N84 PolarHBondContact O-N 3Å; N82-N84 WeakPolarHBondContact OD1-CB 3.44Å; N82-N84 PolarHBondContact OD1-N 3.47Å; N84-Q86 PolarHBondContact ND2-NE2 3.06Å; N84-Q86 PolarHBondContact O-N 3.18Å; N84-Q86 WeakPolarHBondContact OD1-CB 3.49Å; N84-Q86 WeakPolarHBondContact OD1-CG 3.49Å; N84-Q86 PolarHBondContact OD1-N 3.16Å; N84-Q86 VanDerWaalsContact OD1-N 3.09Å; N84-Y87 HydrophobicContact CB-CD2 3.96Å; N84-Y87 HydrophobicContact CB-CE2 4.31Å; N84-Y87 PolarHBondContact O-N 3.01Å |
| 85 | P | 94.3 | Very high | 95.8 | Very high | 122 Ų | 122 | 53.4 Ų | 53.4 | 79% | 0.792 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.6 | -174.2 | 27.4 | -36.5 | 0 | 0 | 0 | 114.4 | Y87 | P85-Y87 PolarHBondContact O-N 3.33Š|
| 86 | Q | 94.4 | Very high | 95.5 | Very high | 119 Ų | 119 | 57.2 Ų | 57.2 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.4 | 173.3 | 80.1 | -172.7 | -23.7 | 0 | 0 | 112.7 | N84 | N84-Q86 PolarHBondContact ND2-NE2 3.06Å; N84-Q86 PolarHBondContact O-N 3.18Å; N84-Q86 WeakPolarHBondContact OD1-CB 3.49Å; N84-Q86 WeakPolarHBondContact OD1-CG 3.49Å; N84-Q86 PolarHBondContact OD1-N 3.16Å; N84-Q86 VanDerWaalsContact OD1-N 3.09Å |
| 87 | Y | 96.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -100.6 | 98.9 | -179.5 | -60.1 | -54.5 | 0 | 0 | 0 | 109.5 | N82 N84 P85 W107 | N82-Y87 HydrophobicContact CB-CD2 4.47Å; N84-Y87 HydrophobicContact CB-CD2 3.96Å; N84-Y87 HydrophobicContact CB-CE2 4.31Å; N84-Y87 PolarHBondContact O-N 3.01Å; P85-Y87 PolarHBondContact O-N 3.33Å; Y87-W107 HydrophobicContact CD1-CB 3.81Å; Y87-W107 AromaticContact CD1-CD1 3.99Å; Y87-W107 AromaticContact CD1-CG 3.88Å; Y87-W107 HydrophobicContact CD1-CG 3.88Å; Y87-W107 HydrophobicContact CE1-CB 4.28Å; Y87-W107 HydrophobicContact CG-CB 4.45Å; Y87-W107 HydrophobicContact CG-CG 4.15Å |
| 88 | Q | 96.9 | Very high | 95.1 | Very high | 155 Ų | 155 | 62 Ų | 62 | 72% | 0.724 | 32% | 0.321 | S | S | * | . | trans | -61.3 | 146.8 | -177.1 | -64.6 | 178.3 | -1.7 | 0 | 0 | 112.5 | W107 | Q88-W107 PolarHBondContact O-NE1 3.09Š| ||
| 89 | D | 98.3 | Very high | 94.8 | Very high | 83 Ų | 83 | 67.4 Ų | 67.4 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | trans | -59.5 | 153.1 | 173.2 | -60.7 | -22.6 | 0 | 0 | 0 | 112 | K28 L80 A81 | K28-D89 WeakPolarHBondContact CE-OD2 3.26Å; K28-D89 IonicContact NZ-OD1 2.59Å; K28-D89 IonicContact NZ-OD2 3.49Å; K28-D89 PolarHBondContact NZ-OD2 2.84Å; L80-D89 CarbonylContact O-C 3.52Å; L80-D89 VanDerWaalsContact O-CA 3.23Å; L80-D89 WeakPolarHBondContact O-CA 3.4Å; L80-D89 WeakPolarHBondContact O-CB 3.48Å; A81-D89 WeakPolarHBondContact CA-OD1 3.48Å; A81-D89 VanDerWaalsContact CB-OD1 3.25Å; A81-D89 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 90 | F | 98 | Very high | 94.7 | Very high | 50 Ų | 50 | 66 Ų | 66 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 152.5 | 179.3 | -175.2 | -100.4 | 0 | 0 | 0 | 111.6 | L80 V92 Y108 L112 | L80-F90 HydrophobicContact CB-CB 4.41Å; L80-F90 HydrophobicContact CD1-CD1 4.28Å; L80-F90 PolarHBondContact N-O 2.68Å; L80-F90 PolarHBondContact O-N 2.79Å; F90-V92 HydrophobicContact CE1-CB 3.85Å; F90-V92 HydrophobicContact CE1-CG1 4.3Å; F90-V92 HydrophobicContact CZ-CB 4.45Å; F90-Y108 HydrophobicContact CB-CD1 3.59Å; F90-Y108 HydrophobicContact CB-CD2 4.32Å; F90-Y108 HydrophobicContact CB-CE1 4.14Å; F90-Y108 HydrophobicContact CB-CG 3.7Å; F90-Y108 AromaticContact CD1-CD2 3.71Å; F90-Y108 HydrophobicContact CD1-CD2 3.71Å; F90-Y108 HydrophobicContact CD1-CE2 4.28Å; F90-Y108 AromaticContact CD1-CG 3.85Å; F90-Y108 HydrophobicContact CD1-CG 3.85Å; F90-Y108 AromaticContact CD2-CD1 3.9Å; F90-Y108 HydrophobicContact CD2-CD1 3.9Å; F90-Y108 AromaticContact CD2-CD2 3.75Å; F90-Y108 HydrophobicContact CD2-CD2 3.75Å; F90-Y108 AromaticContact CD2-CE1 3.69Å; F90-Y108 HydrophobicContact CD2-CE1 3.69Å; F90-Y108 AromaticContact CD2-CE2 3.53Å; F90-Y108 HydrophobicContact CD2-CE2 3.53Å; F90-Y108 AromaticContact CD2-CG 3.93Å; F90-Y108 HydrophobicContact CD2-CG 3.93Å; F90-Y108 AromaticContact CD2-CZ 3.5Å; F90-Y108 AromaticContact CE1-CD2 3.88Å; F90-Y108 HydrophobicContact CE1-CD2 3.88Å; F90-Y108 HydrophobicContact CE1-CE2 4.22Å; F90-Y108 HydrophobicContact CE1-CG 4.47Å; F90-Y108 AromaticContact CE2-CD2 3.92Å; F90-Y108 HydrophobicContact CE2-CD2 3.92Å; F90-Y108 HydrophobicContact CE2-CE1 4.4Å; F90-Y108 AromaticContact CE2-CE2 3.47Å; F90-Y108 HydrophobicContact CE2-CE2 3.47Å; F90-Y108 VanDerWaalsContact CE2-CE2 3.47Å; F90-Y108 AromaticContact CE2-CZ 3.74Å; F90-Y108 AromaticContact CG-CD1 3.74Å; F90-Y108 HydrophobicContact CG-CD1 3.74Å; F90-Y108 AromaticContact CG-CD2 3.64Å; F90-Y108 HydrophobicContact CG-CD2 3.64Å; F90-Y108 HydrophobicContact CG-CE1 4.04Å; F90-Y108 AromaticContact CG-CE2 3.95Å; F90-Y108 HydrophobicContact CG-CE2 3.95Å; F90-Y108 AromaticContact CG-CG 3.53Å; F90-Y108 HydrophobicContact CG-CG 3.53Å; F90-Y108 AromaticContact CZ-CD2 3.99Å; F90-Y108 HydrophobicContact CZ-CD2 3.99Å; F90-Y108 AromaticContact CZ-CE2 3.83Å; F90-Y108 HydrophobicContact CZ-CE2 3.83Å; F90-L112 HydrophobicContact CE1-CD1 3.91Å |
| 91 | K | 97.2 | Very high | 94.4 | Very high | 127 Ų | 127 | 68.3 Ų | 68.3 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 137.4 | 179.2 | -178.6 | 176.5 | 177.7 | 176.3 | 0 | 110.9 | T77 I78 Q79 | T77-K91 VanDerWaalsContact CB-CE 3.48Å; T77-K91 VanDerWaalsContact OG1-CE 3.27Å; T77-K91 WeakPolarHBondContact OG1-CE 3.4Å; I78-K91 WeakPolarHBondContact O-CA 3.42Å; Q79-K91 HydrophobicContact CG-CD 4.28Å; Q79-K91 HydrophobicContact CG-CG 4.22Å |
| 92 | V | 96.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 75 Ų | 75 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.2 | 176.4 | 65 | 0 | 0 | 0 | 0 | 112.1 | T77 I78 F90 I98 L112 | T77-V92 CarbonylContact C-O 3.54Å; T77-V92 WeakPolarHBondContact CA-O 3.43Å; T77-V92 WeakPolarHBondContact CB-O 3.29Å; I78-V92 HydrophobicContact CB-CG1 3.87Å; I78-V92 HydrophobicContact CD1-CG1 4.42Å; I78-V92 HydrophobicContact CG1-CG1 4.42Å; I78-V92 PolarHBondContact N-O 2.9Å; I78-V92 PolarHBondContact O-N 3.45Å; F90-V92 HydrophobicContact CE1-CB 3.85Å; F90-V92 HydrophobicContact CE1-CG1 4.3Å; F90-V92 HydrophobicContact CZ-CB 4.45Å; V92-I98 HydrophobicContact CG1-CD1 4.19Å; V92-I98 HydrophobicContact CG2-CD1 4.06Å; V92-L112 HydrophobicContact CG1-CD2 3.84Å |
| 93 | S | 95.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 81 Ų | 81 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.8 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | S95 | S93-S95 PolarHBondContact OG-N 3.42Å |
| 94 | C | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -89.1 | -7.4 | 173.1 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | G76 T77 R126 L127 | G76-C94 VanDerWaalsContact C-SG 3.59Å; G76-C94 WeakPolarHBondContact O-CB 3.38Å; G76-C94 PolarHBondContact O-N 3.06Å; T77-C94 VanDerWaalsContact CA-SG 3.57Å; C94-R126 WeakPolarHBondContact O-CA 3.29Å; C94-L127 HydrophobicContact CB-CB 3.99Å; C94-L127 VanDerWaalsContact CB-O 3.26Å; C94-L127 WeakPolarHBondContact CB-O 3.44Å; C94-L127 PolarHBondContact O-N 2.78Å |
| 95 | S | 83.8 | Confident | 92.4 | Very high | 64 Ų | 64 | 82.7 Ų | 82.7 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -97.6 | 1 | -173.7 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | S93 R126 | S93-S95 PolarHBondContact OG-N 3.42Å; S95-R126 PolarHBondContact OG-NE 2.86Å |
| 96 | E | 85 | Confident | 92.4 | Very high | 134 Ų | 134 | 82 Ų | 82 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -123.6 | 163.7 | -177.3 | -67.3 | 174.5 | -169.3 | 0 | 0 | 109.9 | I98 Q119 | E96-I98 PolarHBondContact O-N 2.92Å; E96-Q119 PolarHBondContact O-NE2 3.27Å |
| 97 | D | 88.4 | Confident | 92.5 | Very high | 129 Ų | 129 | 77.8 Ų | 77.8 | 69% | 0.69 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 132.7 | 171.1 | -74.7 | -27.3 | 0 | 0 | 0 | 110.2 | V99 | D97-V99 PolarHBondContact O-N 3.44Š|
| 98 | I | 93.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 121.5 | 176.7 | -61.8 | -61 | 0 | 0 | 0 | 109.6 | V92 E96 I100 L112 V115 K116 L127 | V92-I98 HydrophobicContact CG1-CD1 4.19Å; V92-I98 HydrophobicContact CG2-CD1 4.06Å; E96-I98 PolarHBondContact O-N 2.92Å; I98-I100 HydrophobicContact CG2-CG1 4.48Å; I98-L112 HydrophobicContact CD1-CD2 4.44Å; I98-L112 HydrophobicContact CG2-CB 3.76Å; I98-L112 HydrophobicContact CG2-CD1 4.17Å; I98-L112 HydrophobicContact CG2-CD2 4.18Å; I98-L112 HydrophobicContact CG2-CG 4.24Å; I98-V115 HydrophobicContact CD1-CG1 4.46Å; I98-V115 HydrophobicContact CG1-CG1 4.12Å; I98-K116 HydrophobicContact CB-CB 4.07Å; I98-K116 HydrophobicContact CB-CG 4.35Å; I98-K116 HydrophobicContact CG2-CB 4.04Å; I98-K116 WeakPolarHBondContact O-CD 3.42Å; I98-K116 PolarHBondContact O-NZ 2.83Å; I98-K116 VanDerWaalsContact O-NZ 3.15Å; I98-L127 HydrophobicContact CG1-CD1 4.32Å |
| 99 | V | 92.8 | Very high | 92.5 | Very high | 115 Ų | 115 | 70.5 Ų | 70.5 | 70% | 0.697 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 135.2 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 110 | D97 | D97-V99 PolarHBondContact O-N 3.44Š|
| 100 | I | 94.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | trans | -117.9 | 119.9 | -179.5 | -66.2 | 161.6 | 0 | 0 | 0 | 108.3 | I98 R102 Y109 L112 C113 K116 Y181 I182 | I98-I100 HydrophobicContact CG2-CG1 4.48Å; I100-R102 PolarHBondContact O-N 3.01Å; I100-Y109 HydrophobicContact CB-CD1 4.41Å; I100-Y109 HydrophobicContact CG1-CD1 4.49Å; I100-Y109 HydrophobicContact CG2-CD1 4.24Å; I100-Y109 HydrophobicContact CG2-CG 4.37Å; I100-L112 HydrophobicContact CG1-CB 4.31Å; I100-C113 HydrophobicContact CD1-CB 4.39Å; I100-K116 HydrophobicContact CD1-CB 4.43Å; I100-K116 HydrophobicContact CD1-CD 3.71Å; I100-Y181 HydrophobicContact CD1-CD2 4.05Å; I100-Y181 HydrophobicContact CD1-CG 3.93Å; I100-Y181 WeakPolarHBondContact CG2-O 3.29Å; I100-I182 HydrophobicContact CG2-CD1 4.17Å | ||
| 101 | D | 92.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | trans | -83.4 | 107.5 | 172.4 | -177.1 | 1.4 | 0 | 0 | 0 | 109.2 | E103 N104 Y109 | D101-E103 WeakPolarHBondContact OD1-CB 3.44Å; D101-E103 PolarHBondContact OD1-N 3.2Å; D101-N104 PolarHBondContact OD1-N 3.27Å; D101-N104 WeakPolarHBondContact OD2-CB 3.16Å; D101-N104 PolarHBondContact OD2-ND2 3.03Å; D101-Y109 HydrophobicContact CB-CD2 4.41Å; D101-Y109 HydrophobicContact CB-CE1 4.23Å; D101-Y109 HydrophobicContact CB-CE2 3.67Å | ||
| 102 | R | 88.9 | Confident | 92.6 | Very high | 146 Ų | 146 | 59.5 Ų | 59.5 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -81.1 | -20.9 | 178.5 | 73.4 | -176.2 | 81.3 | -173.6 | 7.3 | 113.1 | I100 | I100-R102 PolarHBondContact O-N 3.01Š|
| 103 | E | 86 | Confident | 92.7 | Very high | 152 Ų | 152 | 58 Ų | 58 | 71% | 0.71 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -78.4 | -30 | -178.1 | -60.1 | -59.4 | 141.7 | 0 | 0 | 110.9 | D101 P105 | D101-E103 WeakPolarHBondContact OD1-CB 3.44Å; D101-E103 PolarHBondContact OD1-N 3.2Å; E103-P105 WeakPolarHBondContact O-CD 3.46Å |
| 104 | N | 87.4 | Confident | 92.8 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -123.9 | 71 | 177.7 | -56.6 | -76.4 | 0 | 0 | 0 | 111.1 | D101 K106 | D101-N104 PolarHBondContact OD1-N 3.27Å; D101-N104 WeakPolarHBondContact OD2-CB 3.16Å; D101-N104 PolarHBondContact OD2-ND2 3.03Å; N104-K106 PolarHBondContact O-N 3.42Å; N104-K106 VanDerWaalsContact O-N 3.09Å |
| 105 | P | 86.9 | Confident | 93 | Very high | 31 Ų | 31 | 56.3 Ų | 56.3 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | trans | -61.6 | 118.6 | -176.9 | 25.4 | -33.6 | 0 | 0 | 0 | 110.9 | E103 I182 A235 | E103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-I182 HydrophobicContact CB-CD1 4.19Å; P105-I182 HydrophobicContact CB-CG1 4.2Å; P105-A235 HydrophobicContact CB-CB 4.14Å; P105-A235 HydrophobicContact CG-CB 4.26Å | ||
| 106 | K | 94 | Very high | 93.7 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | trans | -114.8 | 157.6 | 174.3 | -59.9 | -58 | -176.2 | -178.9 | 0 | 109.3 | N104 Y108 Y109 | N104-K106 PolarHBondContact O-N 3.42Å; N104-K106 VanDerWaalsContact O-N 3.09Å; K106-Y108 VanDerWaalsContact C-N 3.26Å; K106-Y108 HydrophobicContact CB-CD1 3.97Å; K106-Y108 HydrophobicContact CB-CD2 4.34Å; K106-Y108 HydrophobicContact CB-CE1 3.53Å; K106-Y108 HydrophobicContact CB-CE2 3.94Å; K106-Y108 HydrophobicContact CB-CG 4.36Å; K106-Y108 HydrophobicContact CG-CE1 3.96Å; K106-Y108 HydrophobicContact CG-CE2 4.41Å; K106-Y108 WeakPolarHBondContact CG-OH 3.35Å; K106-Y108 PolarHBondContact O-N 3.5Å; K106-Y109 HydrophobicContact CB-CD2 3.84Å; K106-Y109 HydrophobicContact CB-CE2 4.18Å; K106-Y109 HydrophobicContact CG-CD2 4.25Å; K106-Y109 HydrophobicContact CG-CE2 4.14Å; K106-Y109 WeakPolarHBondContact O-CB 3.47Å; K106-Y109 PolarHBondContact O-N 3.27Å | ||
| 107 | W | 95.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.6 | -41.4 | -175.7 | 80.7 | -87.6 | 0 | 0 | 0 | 112.5 | L80 N82 Y87 Q88 Y109 Y110 V134 L150 | L80-W107 HydrophobicContact CB-CH2 3.93Å; L80-W107 HydrophobicContact CB-CZ2 4.19Å; N82-W107 HydrophobicContact CB-CH2 4.34Å; N82-W107 HydrophobicContact CB-CZ2 4.28Å; Y87-W107 HydrophobicContact CD1-CB 3.81Å; Y87-W107 AromaticContact CD1-CD1 3.99Å; Y87-W107 AromaticContact CD1-CG 3.88Å; Y87-W107 HydrophobicContact CD1-CG 3.88Å; Y87-W107 HydrophobicContact CE1-CB 4.28Å; Y87-W107 HydrophobicContact CG-CB 4.45Å; Y87-W107 HydrophobicContact CG-CG 4.15Å; Q88-W107 PolarHBondContact O-NE1 3.09Å; W107-Y109 VanDerWaalsContact C-N 3.26Å; W107-Y109 PolarHBondContact O-N 2.91Å; W107-Y110 WeakPolarHBondContact O-CB 3.43Å; W107-Y110 PolarHBondContact O-N 3.24Å; W107-V134 HydrophobicContact CH2-CB 4.43Å; W107-V134 HydrophobicContact CH2-CG2 4.26Å; W107-V134 HydrophobicContact CZ3-CB 4.11Å; W107-V134 HydrophobicContact CZ3-CG1 4.47Å; W107-V134 HydrophobicContact CZ3-CG2 3.97Å; W107-L150 HydrophobicContact CE3-CD2 4.11Å; W107-L150 WeakPolarHBondContact O-CD2 3.23Å |
| 108 | Y | 97.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 14% | 0.141 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -23.2 | -179.8 | 53.6 | -104.3 | 0 | 0 | 0 | 112.9 | F90 K106 Y110 F111 L112 | F90-Y108 HydrophobicContact CB-CD1 3.59Å; F90-Y108 HydrophobicContact CB-CD2 4.32Å; F90-Y108 HydrophobicContact CB-CE1 4.14Å; F90-Y108 HydrophobicContact CB-CG 3.7Å; F90-Y108 AromaticContact CD1-CD2 3.71Å; F90-Y108 HydrophobicContact CD1-CD2 3.71Å; F90-Y108 HydrophobicContact CD1-CE2 4.28Å; F90-Y108 AromaticContact CD1-CG 3.85Å; F90-Y108 HydrophobicContact CD1-CG 3.85Å; F90-Y108 AromaticContact CD2-CD1 3.9Å; F90-Y108 HydrophobicContact CD2-CD1 3.9Å; F90-Y108 AromaticContact CD2-CD2 3.75Å; F90-Y108 HydrophobicContact CD2-CD2 3.75Å; F90-Y108 AromaticContact CD2-CE1 3.69Å; F90-Y108 HydrophobicContact CD2-CE1 3.69Å; F90-Y108 AromaticContact CD2-CE2 3.53Å; F90-Y108 HydrophobicContact CD2-CE2 3.53Å; F90-Y108 AromaticContact CD2-CG 3.93Å; F90-Y108 HydrophobicContact CD2-CG 3.93Å; F90-Y108 AromaticContact CD2-CZ 3.5Å; F90-Y108 AromaticContact CE1-CD2 3.88Å; F90-Y108 HydrophobicContact CE1-CD2 3.88Å; F90-Y108 HydrophobicContact CE1-CE2 4.22Å; F90-Y108 HydrophobicContact CE1-CG 4.47Å; F90-Y108 AromaticContact CE2-CD2 3.92Å; F90-Y108 HydrophobicContact CE2-CD2 3.92Å; F90-Y108 HydrophobicContact CE2-CE1 4.4Å; F90-Y108 AromaticContact CE2-CE2 3.47Å; F90-Y108 HydrophobicContact CE2-CE2 3.47Å; F90-Y108 VanDerWaalsContact CE2-CE2 3.47Å; F90-Y108 AromaticContact CE2-CZ 3.74Å; F90-Y108 AromaticContact CG-CD1 3.74Å; F90-Y108 HydrophobicContact CG-CD1 3.74Å; F90-Y108 AromaticContact CG-CD2 3.64Å; F90-Y108 HydrophobicContact CG-CD2 3.64Å; F90-Y108 HydrophobicContact CG-CE1 4.04Å; F90-Y108 AromaticContact CG-CE2 3.95Å; F90-Y108 HydrophobicContact CG-CE2 3.95Å; F90-Y108 AromaticContact CG-CG 3.53Å; F90-Y108 HydrophobicContact CG-CG 3.53Å; F90-Y108 AromaticContact CZ-CD2 3.99Å; F90-Y108 HydrophobicContact CZ-CD2 3.99Å; F90-Y108 AromaticContact CZ-CE2 3.83Å; F90-Y108 HydrophobicContact CZ-CE2 3.83Å; K106-Y108 VanDerWaalsContact C-N 3.26Å; K106-Y108 HydrophobicContact CB-CD1 3.97Å; K106-Y108 HydrophobicContact CB-CD2 4.34Å; K106-Y108 HydrophobicContact CB-CE1 3.53Å; K106-Y108 HydrophobicContact CB-CE2 3.94Å; K106-Y108 HydrophobicContact CB-CG 4.36Å; K106-Y108 HydrophobicContact CG-CE1 3.96Å; K106-Y108 HydrophobicContact CG-CE2 4.41Å; K106-Y108 WeakPolarHBondContact CG-OH 3.35Å; K106-Y108 PolarHBondContact O-N 3.5Å; Y108-Y110 VanDerWaalsContact C-N 3.31Å; Y108-Y110 PolarHBondContact O-N 3.37Å; Y108-F111 VanDerWaalsContact O-CB 3.31Å; Y108-F111 WeakPolarHBondContact O-CB 3.32Å; Y108-F111 PolarHBondContact O-N 3.27Å; Y108-F111 VanDerWaalsContact O-N 3.15Å; Y108-L112 VanDerWaalsContact O-CG 3.32Å; Y108-L112 WeakPolarHBondContact O-CG 3.37Å; Y108-L112 PolarHBondContact O-N 3.5Å |
| 109 | Y | 97.6 | Very high | 95 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 14% | 0.137 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -30.8 | 175.3 | -73.8 | -53.3 | 0 | 0 | 0 | 112.6 | I100 D101 K106 W107 L112 C113 I182 | I100-Y109 HydrophobicContact CB-CD1 4.41Å; I100-Y109 HydrophobicContact CG1-CD1 4.49Å; I100-Y109 HydrophobicContact CG2-CD1 4.24Å; I100-Y109 HydrophobicContact CG2-CG 4.37Å; D101-Y109 HydrophobicContact CB-CD2 4.41Å; D101-Y109 HydrophobicContact CB-CE1 4.23Å; D101-Y109 HydrophobicContact CB-CE2 3.67Å; K106-Y109 HydrophobicContact CB-CD2 3.84Å; K106-Y109 HydrophobicContact CB-CE2 4.18Å; K106-Y109 HydrophobicContact CG-CD2 4.25Å; K106-Y109 HydrophobicContact CG-CE2 4.14Å; K106-Y109 WeakPolarHBondContact O-CB 3.47Å; K106-Y109 PolarHBondContact O-N 3.27Å; W107-Y109 VanDerWaalsContact C-N 3.26Å; W107-Y109 PolarHBondContact O-N 2.91Å; Y109-L112 HydrophobicContact CD1-CD1 4Å; Y109-L112 HydrophobicContact CE1-CD1 4.32Å; Y109-L112 PolarHBondContact O-N 3.08Å; Y109-C113 PolarHBondContact O-N 3.25Å; Y109-C113 PolarHBondContact O-SG 3.02Å; Y109-I182 VanDerWaalsContact CB-CD1 3.49Å |
| 110 | Y | 97.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 169.1 | -66.9 | -85 | 0 | 0 | 0 | 111.3 | W107 Y108 L112 C113 S147 V151 I182 A235 | W107-Y110 WeakPolarHBondContact O-CB 3.43Å; W107-Y110 PolarHBondContact O-N 3.24Å; Y108-Y110 VanDerWaalsContact C-N 3.31Å; Y108-Y110 PolarHBondContact O-N 3.37Å; Y110-L112 VanDerWaalsContact C-N 3.31Å; Y110-L112 PolarHBondContact O-N 3.07Å; Y110-C113 WeakPolarHBondContact O-CB 3.44Å; Y110-C113 PolarHBondContact O-N 2.71Å; Y110-S147 VanDerWaalsContact CE1-CB 3.48Å; Y110-V151 HydrophobicContact CD1-CG2 4.35Å; Y110-V151 WeakPolarHBondContact O-CG2 3.41Å; Y110-I182 HydrophobicContact CD1-CG1 4.17Å; Y110-I182 HydrophobicContact CD2-CD1 4.4Å; Y110-I182 HydrophobicContact CE1-CB 4.2Å; Y110-I182 HydrophobicContact CE1-CG1 3.74Å; Y110-I182 HydrophobicContact CE1-CG2 3.89Å; Y110-I182 HydrophobicContact CE2-CD1 4.34Å; Y110-I182 HydrophobicContact CE2-CG1 4.15Å; Y110-A235 VanDerWaalsContact OH-CB 3.26Å; Y110-A235 WeakPolarHBondContact OH-CB 3.4Å |
| 111 | F | 98.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 172.8 | -170.1 | -75.1 | 0 | 0 | 0 | 110.3 | I78 L80 Y108 C113 G114 V115 C132 V134 L150 S154 L157 | I78-F111 HydrophobicContact CG2-CE1 4.31Å; L80-F111 HydrophobicContact CD1-CB 4.11Å; L80-F111 HydrophobicContact CD1-CD1 3.82Å; L80-F111 HydrophobicContact CD1-CE1 4.4Å; L80-F111 HydrophobicContact CD1-CG 3.92Å; L80-F111 HydrophobicContact CD2-CD1 3.81Å; L80-F111 HydrophobicContact CD2-CD2 4.2Å; L80-F111 HydrophobicContact CD2-CE1 3.54Å; L80-F111 HydrophobicContact CD2-CE2 3.93Å; L80-F111 HydrophobicContact CD2-CG 4.14Å; L80-F111 HydrophobicContact CD2-CZ 3.6Å; L80-F111 HydrophobicContact CG-CD1 4.48Å; Y108-F111 VanDerWaalsContact O-CB 3.31Å; Y108-F111 WeakPolarHBondContact O-CB 3.32Å; Y108-F111 PolarHBondContact O-N 3.27Å; Y108-F111 VanDerWaalsContact O-N 3.15Å; F111-C113 VanDerWaalsContact C-N 3.3Å; F111-C113 PolarHBondContact O-N 2.77Å; F111-G114 PolarHBondContact O-N 2.78Å; F111-G114 VanDerWaalsContact O-N 3.16Å; F111-V115 HydrophobicContact CD1-CG2 3.64Å; F111-V115 HydrophobicContact CE1-CG2 3.53Å; F111-V115 PolarHBondContact O-N 2.91Å; F111-C132 HydrophobicContact CE2-CB 4.48Å; F111-C132 HydrophobicContact CZ-CB 4.3Å; F111-V134 HydrophobicContact CD2-CG2 4.16Å; F111-V134 HydrophobicContact CE2-CG2 4.07Å; F111-L150 HydrophobicContact CB-CD1 4.46Å; F111-L150 HydrophobicContact CD2-CD1 4.03Å; F111-S154 VanDerWaalsContact O-CB 3.24Å; F111-S154 WeakPolarHBondContact O-CB 3.18Å; F111-S154 PolarHBondContact O-OG 3.4Å; F111-L157 HydrophobicContact CE1-CD1 4.37Å; F111-L157 HydrophobicContact CE2-CD2 3.84Å; F111-L157 HydrophobicContact CZ-CD1 3.68Å; F111-L157 HydrophobicContact CZ-CD2 3.83Å; F111-L157 HydrophobicContact CZ-CG 4.29Å |
| 112 | L | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -27.4 | 178.9 | -67.4 | -175.6 | 0 | 0 | 0 | 113.9 | F90 V92 I98 I100 Y108 Y109 Y110 G114 V115 K116 | F90-L112 HydrophobicContact CE1-CD1 3.91Å; V92-L112 HydrophobicContact CG1-CD2 3.84Å; I98-L112 HydrophobicContact CD1-CD2 4.44Å; I98-L112 HydrophobicContact CG2-CB 3.76Å; I98-L112 HydrophobicContact CG2-CD1 4.17Å; I98-L112 HydrophobicContact CG2-CD2 4.18Å; I98-L112 HydrophobicContact CG2-CG 4.24Å; I100-L112 HydrophobicContact CG1-CB 4.31Å; Y108-L112 VanDerWaalsContact O-CG 3.32Å; Y108-L112 WeakPolarHBondContact O-CG 3.37Å; Y108-L112 PolarHBondContact O-N 3.5Å; Y109-L112 HydrophobicContact CD1-CD1 4Å; Y109-L112 HydrophobicContact CE1-CD1 4.32Å; Y109-L112 PolarHBondContact O-N 3.08Å; Y110-L112 VanDerWaalsContact C-N 3.31Å; Y110-L112 PolarHBondContact O-N 3.07Å; L112-G114 VanDerWaalsContact C-N 3.34Å; L112-G114 PolarHBondContact O-N 2.95Å; L112-V115 HydrophobicContact CD2-CG2 4.42Å; L112-V115 PolarHBondContact O-N 3.43Å; L112-K116 WeakPolarHBondContact O-CB 3.31Å; L112-K116 PolarHBondContact O-N 3.05Å |
| 113 | C | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -46.8 | 171 | -69 | 0 | 0 | 0 | 0 | 111.1 | I100 Y109 Y110 F111 G117 V151 S178 | I100-C113 HydrophobicContact CD1-CB 4.39Å; Y109-C113 PolarHBondContact O-N 3.25Å; Y109-C113 PolarHBondContact O-SG 3.02Å; Y110-C113 WeakPolarHBondContact O-CB 3.44Å; Y110-C113 PolarHBondContact O-N 2.71Å; F111-C113 VanDerWaalsContact C-N 3.3Å; F111-C113 PolarHBondContact O-N 2.77Å; C113-G117 PolarHBondContact O-N 3.27Å; C113-V151 HydrophobicContact CB-CG1 4.26Å; C113-V151 HydrophobicContact CB-CG2 4.13Å; C113-S178 WeakPolarHBondContact CB-O 3.35Å; C113-S178 WeakPolarHBondContact O-CB 3.39Å; C113-S178 PolarHBondContact O-OG 3.06Å; C113-S178 PolarHBondContact SG-O 3.38Å |
| 114 | G | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F111 L112 G117 I118 S154 | F111-G114 PolarHBondContact O-N 2.78Å; F111-G114 VanDerWaalsContact O-N 3.16Å; L112-G114 VanDerWaalsContact C-N 3.34Å; L112-G114 PolarHBondContact O-N 2.95Å; G114-G117 PolarHBondContact O-N 3.31Å; G114-I118 WeakPolarHBondContact O-CG1 3.38Å; G114-I118 PolarHBondContact O-N 3.23Å; G114-S154 VanDerWaalsContact CA-OG 3.31Å; G114-S154 WeakPolarHBondContact CA-OG 3.06Å |
| 115 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -52.9 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 111 | I78 I98 F111 L112 G117 I118 Q119 L127 T158 | I78-V115 HydrophobicContact CD1-CG1 3.66Å; I78-V115 HydrophobicContact CD1-CG2 4.23Å; I98-V115 HydrophobicContact CD1-CG1 4.46Å; I98-V115 HydrophobicContact CG1-CG1 4.12Å; F111-V115 HydrophobicContact CD1-CG2 3.64Å; F111-V115 HydrophobicContact CE1-CG2 3.53Å; F111-V115 PolarHBondContact O-N 2.91Å; L112-V115 HydrophobicContact CD2-CG2 4.42Å; L112-V115 PolarHBondContact O-N 3.43Å; V115-G117 VanDerWaalsContact C-N 3.32Å; V115-G117 PolarHBondContact O-N 2.94Å; V115-I118 PolarHBondContact O-N 3.14Å; V115-Q119 PolarHBondContact O-N 3.47Å; V115-L127 HydrophobicContact CG1-CD1 3.57Å; V115-T158 HydrophobicContact CG1-CG2 4.19Å; V115-T158 WeakPolarHBondContact CG2-OG1 3.47Å |
| 116 | K | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 13% | 0.13 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | -179.3 | -176.2 | 174.6 | 178.1 | 56.9 | 0 | 111.6 | I98 I100 L112 I118 Q119 E120 Y181 | I98-K116 HydrophobicContact CB-CB 4.07Å; I98-K116 HydrophobicContact CB-CG 4.35Å; I98-K116 HydrophobicContact CG2-CB 4.04Å; I98-K116 WeakPolarHBondContact O-CD 3.42Å; I98-K116 PolarHBondContact O-NZ 2.83Å; I98-K116 VanDerWaalsContact O-NZ 3.15Å; I100-K116 HydrophobicContact CD1-CB 4.43Å; I100-K116 HydrophobicContact CD1-CD 3.71Å; L112-K116 WeakPolarHBondContact O-CB 3.31Å; L112-K116 PolarHBondContact O-N 3.05Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 2.8Å; K116-Q119 WeakPolarHBondContact O-CB 3.49Å; K116-Q119 PolarHBondContact O-N 3.42Å; K116-E120 WeakPolarHBondContact CE-OE1 3.31Å; K116-E120 HydrophobicContact CG-CG 4.36Å; K116-E120 WeakPolarHBondContact CG-OE1 3.5Å; K116-E120 IonicContact NZ-OE1 3.62Å; K116-E120 PolarHBondContact NZ-OE1 2.98Å; K116-E120 WeakPolarHBondContact O-CB 3.39Å; K116-E120 WeakPolarHBondContact O-CG 3.45Å; K116-E120 PolarHBondContact O-N 3.2Å; K116-Y181 HydrophobicContact CD-CD2 3.72Å; K116-Y181 HydrophobicContact CD-CE2 3.64Å; K116-Y181 HydrophobicContact CD-CG 4.23Å; K116-Y181 HydrophobicContact CG-CD2 4.31Å; K116-Y181 HydrophobicContact CG-CE2 3.95Å |
| 117 | G | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C113 G114 V115 K121 | C113-G117 PolarHBondContact O-N 3.27Å; G114-G117 PolarHBondContact O-N 3.31Å; V115-G117 VanDerWaalsContact C-N 3.32Å; V115-G117 PolarHBondContact O-N 2.94Å; G117-K121 VanDerWaalsContact O-CB 3.3Å; G117-K121 WeakPolarHBondContact O-CB 3.48Å; G117-K121 PolarHBondContact O-N 3.45Å |
| 118 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.3 | -41.6 | 176.1 | -61 | -58.3 | 0 | 0 | 0 | 111.6 | G114 V115 K116 E120 K121 F122 G155 T158 M159 L166 L171 I174 | G114-I118 WeakPolarHBondContact O-CG1 3.38Å; G114-I118 PolarHBondContact O-N 3.23Å; V115-I118 PolarHBondContact O-N 3.14Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 2.8Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.21Å; I118-K121 PolarHBondContact O-N 3.25Å; I118-F122 HydrophobicContact CG2-CD2 3.97Å; I118-F122 HydrophobicContact CG2-CE2 4.33Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 PolarHBondContact O-N 2.91Å; I118-G155 VanDerWaalsContact CG1-O 3.32Å; I118-G155 WeakPolarHBondContact CG1-O 3.26Å; I118-T158 HydrophobicContact CB-CG2 3.9Å; I118-T158 HydrophobicContact CG1-CG2 4.43Å; I118-T158 HydrophobicContact CG2-CG2 3.89Å; I118-M159 HydrophobicContact CD1-CB 4.22Å; I118-M159 HydrophobicContact CG2-CB 4.37Å; I118-L166 HydrophobicContact CD1-CD1 3.87Å; I118-L171 HydrophobicContact CD1-CD2 3.84Å; I118-I174 HydrophobicContact CD1-CG2 4.47Å |
| 119 | Q | 97.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.9 | -50.1 | 176.4 | -172.7 | -176.9 | 21.3 | 0 | 0 | 110.9 | E96 V115 K116 G123 I124 L127 | E96-Q119 PolarHBondContact O-NE2 3.27Å; V115-Q119 PolarHBondContact O-N 3.47Å; K116-Q119 WeakPolarHBondContact O-CB 3.49Å; K116-Q119 PolarHBondContact O-N 3.42Å; Q119-G123 WeakPolarHBondContact O-CA 3.38Å; Q119-G123 PolarHBondContact O-N 3.46Å; Q119-I124 HydrophobicContact CG-CB 4.34Å; Q119-I124 WeakPolarHBondContact CG-O 3.25Å; Q119-I124 PolarHBondContact NE2-O 3.33Å; Q119-I124 PolarHBondContact O-N 3.22Å; Q119-L127 HydrophobicContact CB-CD1 4.3Å; Q119-L127 HydrophobicContact CB-CD2 4.18Å; Q119-L127 HydrophobicContact CG-CD1 4.24Å; Q119-L127 HydrophobicContact CG-CD2 4.32Å; Q119-L127 HydrophobicContact CG-CG 4.26Å |
| 120 | E | 97.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 33.1 Ų | 33.1 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.6 | -42.6 | -178.9 | -71.8 | 173.7 | 176.3 | 0 | 0 | 112.1 | K116 I118 F122 G123 Y181 | K116-E120 WeakPolarHBondContact CE-OE1 3.31Å; K116-E120 HydrophobicContact CG-CG 4.36Å; K116-E120 WeakPolarHBondContact CG-OE1 3.5Å; K116-E120 IonicContact NZ-OE1 3.62Å; K116-E120 PolarHBondContact NZ-OE1 2.98Å; K116-E120 WeakPolarHBondContact O-CB 3.39Å; K116-E120 WeakPolarHBondContact O-CG 3.45Å; K116-E120 PolarHBondContact O-N 3.2Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.21Å; E120-F122 PolarHBondContact O-N 2.87Å; E120-G123 PolarHBondContact O-N 3.37Å; E120-Y181 VanDerWaalsContact CD-OH 3.27Å; E120-Y181 PolarHBondContact OE1-OH 3.39Å; E120-Y181 PolarHBondContact OE2-OH 2.85Å |
| 121 | K | 97.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 32 Ų | 32 | 46% | 0.457 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.1 | -38.3 | 178.4 | 174.6 | 64.2 | 174.8 | -168.4 | 0 | 112.6 | G117 I118 L166 I174 | G117-K121 VanDerWaalsContact O-CB 3.3Å; G117-K121 WeakPolarHBondContact O-CB 3.48Å; G117-K121 PolarHBondContact O-N 3.45Å; I118-K121 PolarHBondContact O-N 3.25Å; K121-L166 HydrophobicContact CG-CD1 4.39Å; K121-L166 HydrophobicContact CG-CD2 4.34Å; K121-I174 HydrophobicContact CB-CD1 3.96Å; K121-I174 HydrophobicContact CD-CD1 3.74Å; K121-I174 HydrophobicContact CD-CG1 4.36Å; K121-I174 HydrophobicContact CG-CD1 3.57Å; K121-I174 HydrophobicContact CG-CG1 4.49Å |
| 122 | F | 97 | Very high | 96.8 | Very high | 69 Ų | 69 | 32 Ų | 32 | 30% | 0.303 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -104.7 | 0.3 | -175.5 | -72.3 | -71.1 | 0 | 0 | 0 | 114.1 | I118 E120 I124 K164 L166 | I118-F122 HydrophobicContact CG2-CD2 3.97Å; I118-F122 HydrophobicContact CG2-CE2 4.33Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 PolarHBondContact O-N 2.91Å; E120-F122 PolarHBondContact O-N 2.87Å; F122-I124 VanDerWaalsContact C-N 3.28Å; F122-I124 HydrophobicContact CB-CD1 3.81Å; F122-I124 HydrophobicContact CB-CG1 3.64Å; F122-I124 PolarHBondContact O-N 2.86Å; F122-K164 HydrophobicContact CD1-CD 4.1Å; F122-K164 HydrophobicContact CD1-CG 4.25Å; F122-K164 HydrophobicContact CD2-CB 4.07Å; F122-K164 HydrophobicContact CD2-CG 3.91Å; F122-K164 HydrophobicContact CE1-CB 4.12Å; F122-K164 HydrophobicContact CE1-CD 4.28Å; F122-K164 HydrophobicContact CE1-CG 4.31Å; F122-K164 HydrophobicContact CE2-CB 3.59Å; F122-K164 HydrophobicContact CE2-CG 3.97Å; F122-K164 HydrophobicContact CG-CD 4.28Å; F122-K164 HydrophobicContact CG-CG 4.04Å; F122-K164 HydrophobicContact CZ-CB 3.62Å; F122-K164 HydrophobicContact CZ-CG 4.18Å; F122-L166 HydrophobicContact CE1-CD2 4.43Å; F122-L166 HydrophobicContact CE2-CD1 3.71Å; F122-L166 HydrophobicContact CE2-CD2 4.08Å; F122-L166 HydrophobicContact CE2-CG 3.8Å; F122-L166 HydrophobicContact CZ-CD1 4.05Å; F122-L166 HydrophobicContact CZ-CD2 3.57Å; F122-L166 HydrophobicContact CZ-CG 3.6Å |
| 123 | G | 95.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 32 Ų | 32 | 67% | 0.67 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 39.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q119 E120 G125 | Q119-G123 WeakPolarHBondContact O-CA 3.38Å; Q119-G123 PolarHBondContact O-N 3.46Å; E120-G123 PolarHBondContact O-N 3.37Å; G123-G125 PolarHBondContact O-N 3.19Å; G123-G125 VanDerWaalsContact O-N 3.16Å |
| 124 | I | 93.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 32.2 Ų | 32.2 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | trans | -77.4 | 104.2 | -174.4 | -60.5 | 169.8 | 0 | 0 | 0 | 109.4 | Q119 F122 R126 L127 N162 K164 | Q119-I124 HydrophobicContact CG-CB 4.34Å; Q119-I124 WeakPolarHBondContact CG-O 3.25Å; Q119-I124 PolarHBondContact NE2-O 3.33Å; Q119-I124 PolarHBondContact O-N 3.22Å; F122-I124 VanDerWaalsContact C-N 3.28Å; F122-I124 HydrophobicContact CB-CD1 3.81Å; F122-I124 HydrophobicContact CB-CG1 3.64Å; F122-I124 PolarHBondContact O-N 2.86Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 VanDerWaalsContact CG2-C 3.45Å; I124-R126 WeakPolarHBondContact CG2-O 3.48Å; I124-R126 PolarHBondContact O-N 2.68Å; I124-L127 HydrophobicContact CB-CD2 4.28Å; I124-L127 HydrophobicContact CD1-CD2 4.16Å; I124-L127 HydrophobicContact CG2-CD2 3.94Å; I124-L127 HydrophobicContact CG2-CG 4.24Å; I124-N162 HydrophobicContact CD1-CB 4.11Å; I124-K164 HydrophobicContact CD1-CG 4.49Å | ||
| 125 | G | 89.6 | Confident | 96.8 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 68% | 0.68 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -68.8 | -23.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G123 | G123-G125 PolarHBondContact O-N 3.19Å; G123-G125 VanDerWaalsContact O-N 3.16Å |
| 126 | R | 93.6 | Very high | 96.8 | Very high | 163 Ų | 163 | 35.4 Ų | 35.4 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -144 | 114.8 | 173 | -171.7 | 177.2 | -175.2 | -169.7 | -1.5 | 110.4 | C94 S95 I124 | C94-R126 WeakPolarHBondContact O-CA 3.29Å; S95-R126 PolarHBondContact OG-NE 2.86Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 VanDerWaalsContact CG2-C 3.45Å; I124-R126 WeakPolarHBondContact CG2-O 3.48Å; I124-R126 PolarHBondContact O-N 2.68Å |
| 127 | L | 95.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 154.5 | 178.3 | -70.4 | 163.2 | 0 | 0 | 0 | 111.1 | I78 C94 I98 V115 Q119 I124 T158 | I78-L127 HydrophobicContact CD1-CD1 4.34Å; C94-L127 HydrophobicContact CB-CB 3.99Å; C94-L127 VanDerWaalsContact CB-O 3.26Å; C94-L127 WeakPolarHBondContact CB-O 3.44Å; C94-L127 PolarHBondContact O-N 2.78Å; I98-L127 HydrophobicContact CG1-CD1 4.32Å; V115-L127 HydrophobicContact CG1-CD1 3.57Å; Q119-L127 HydrophobicContact CB-CD1 4.3Å; Q119-L127 HydrophobicContact CB-CD2 4.18Å; Q119-L127 HydrophobicContact CG-CD1 4.24Å; Q119-L127 HydrophobicContact CG-CD2 4.32Å; Q119-L127 HydrophobicContact CG-CG 4.26Å; I124-L127 HydrophobicContact CB-CD2 4.28Å; I124-L127 HydrophobicContact CD1-CD2 4.16Å; I124-L127 HydrophobicContact CG2-CD2 3.94Å; I124-L127 HydrophobicContact CG2-CG 4.24Å; L127-T158 HydrophobicContact CD2-CG2 4.13Å |
| 128 | A | 96 | Very high | 96.5 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -62 | 135.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V72 N162 | V72-A128 HydrophobicContact CG1-CB 4.04Å; A128-N162 PolarHBondContact N-OD1 2.88Å |
| 129 | G | 97.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 142.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | N73 T77 | N73-G129 PolarHBondContact N-O 3.25Å; N73-G129 CarbonylContact O-C 3.49Å; N73-G129 VanDerWaalsContact O-CA 3.3Å; N73-G129 WeakPolarHBondContact O-CA 3.35Å; N73-G129 PolarHBondContact O-N 2.83Å; T77-G129 WeakPolarHBondContact O-CA 3.31Å |
| 130 | M | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 147.1 | -179.9 | 66.6 | -171.6 | 80.5 | 0 | 0 | 112.1 | V70 S71 T77 I78 Q79 L157 A161 | V70-M130 HydrophobicContact CG1-CB 4.31Å; S71-M130 CarbonylContact O-C 3.51Å; S71-M130 WeakPolarHBondContact O-CA 3.35Å; S71-M130 WeakPolarHBondContact O-CB 3.44Å; T77-M130 PolarHBondContact O-N 2.77Å; I78-M130 CarbonylContact C-O 3.42Å; I78-M130 WeakPolarHBondContact CA-O 3.47Å; I78-M130 HydrophobicContact CB-CG 4.25Å; I78-M130 HydrophobicContact CD1-CE 4.24Å; I78-M130 HydrophobicContact CG1-CE 4.31Å; I78-M130 HydrophobicContact CG1-CG 4.05Å; I78-M130 HydrophobicContact CG2-CG 3.81Å; I78-M130 HydrophobicContact CG2-SD 4.28Å; Q79-M130 PolarHBondContact N-O 2.95Å; M130-L157 HydrophobicContact SD-CD1 3.57Å; M130-L157 VanDerWaalsContact SD-CD1 3.57Å; M130-A161 HydrophobicContact CE-CB 3.99Å |
| 131 | S | 98.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.8 | 168.5 | -60.4 | 0 | 0 | 0 | 0 | 107.9 | F25 V70 S71 N73 | F25-S131 WeakPolarHBondContact CE2-O 3.48Å; V70-S131 WeakPolarHBondContact CA-O 3.4Å; S71-S131 PolarHBondContact N-O 2.92Å; S71-S131 PolarHBondContact O-N 3.28Å; N73-S131 PolarHBondContact ND2-OG 3.45Å |
| 132 | C | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.7 | -175.5 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | A69 Q79 L80 A81 F111 | A69-C132 VanDerWaalsContact O-CA 3.3Å; A69-C132 WeakPolarHBondContact O-CA 3.33Å; Q79-C132 PolarHBondContact O-N 2.89Å; L80-C132 HydrophobicContact CD2-CB 3.83Å; A81-C132 PolarHBondContact N-O 2.89Å; F111-C132 HydrophobicContact CE2-CB 4.48Å; F111-C132 HydrophobicContact CZ-CB 4.3Å |
| 133 | V | 98.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.3 | 162 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | L21 H24 F25 K28 F29 A68 A69 A81 T83 | L21-V133 HydrophobicContact CD1-CB 3.96Å; L21-V133 HydrophobicContact CD1-CG1 3.62Å; H24-V133 HydrophobicContact CB-CG1 4.48Å; F25-V133 HydrophobicContact CB-CB 4.45Å; F25-V133 HydrophobicContact CB-CG2 4.01Å; F25-V133 HydrophobicContact CD2-CB 3.98Å; F25-V133 HydrophobicContact CD2-CG2 3.61Å; F25-V133 HydrophobicContact CE2-CG2 4.43Å; F25-V133 HydrophobicContact CG-CG2 4.14Å; K28-V133 HydrophobicContact CB-CG2 4.49Å; F29-V133 HydrophobicContact CD2-CG2 4.13Å; F29-V133 HydrophobicContact CE2-CG2 3.63Å; A68-V133 VanDerWaalsContact CA-O 3.31Å; A68-V133 WeakPolarHBondContact CA-O 3.35Å; A69-V133 PolarHBondContact N-O 3.41Å; A69-V133 PolarHBondContact O-N 3.48Å; A81-V133 HydrophobicContact CB-CG2 4.24Å; A81-V133 WeakPolarHBondContact O-CA 3.28Å; T83-V133 HydrophobicContact CG2-CG1 3.89Å |
| 134 | V | 98.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.2 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | I66 A68 A81 N82 T83 W107 F111 L150 | I66-V134 HydrophobicContact CG2-CG1 3.8Å; A68-V134 HydrophobicContact CB-CG2 4.28Å; A81-V134 PolarHBondContact O-N 3.49Å; N82-V134 VanDerWaalsContact CA-O 3.31Å; N82-V134 WeakPolarHBondContact CA-O 3.01Å; N82-V134 VanDerWaalsContact CG-O 3.29Å; N82-V134 PolarHBondContact OD1-O 3.43Å; T83-V134 PolarHBondContact N-O 3.23Å; W107-V134 HydrophobicContact CH2-CB 4.43Å; W107-V134 HydrophobicContact CH2-CG2 4.26Å; W107-V134 HydrophobicContact CZ3-CB 4.11Å; W107-V134 HydrophobicContact CZ3-CG1 4.47Å; W107-V134 HydrophobicContact CZ3-CG2 3.97Å; F111-V134 HydrophobicContact CD2-CG2 4.16Å; F111-V134 HydrophobicContact CE2-CG2 4.07Å; V134-L150 HydrophobicContact CG1-CD1 3.99Å |
| 135 | D | 98.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.2 | 173.1 | 179.4 | -89.9 | 0 | 0 | 0 | 110.2 | R17 L21 L67 T83 | R17-D135 IonicContact CZ-OD1 2.7Å; R17-D135 IonicContact NE-OD1 3.73Å; R17-D135 PolarHBondContact NE-OD1 2.87Å; R17-D135 PolarHBondContact NH2-O 3.48Å; R17-D135 VanDerWaalsContact NH2-O 3.16Å; R17-D135 IonicContact NH2-OD1 2.58Å; R17-D135 PolarHBondContact NH2-OD1 3.24Å; L21-D135 HydrophobicContact CD1-CB 4.07Å; L21-D135 HydrophobicContact CD2-CB 4.45Å; L67-D135 PolarHBondContact N-O 2.87Å; L67-D135 PolarHBondContact O-N 3.44Å; L67-D135 VanDerWaalsContact O-O 3.1Å; T83-D135 HydrophobicContact CG2-CB 3.84Å; T83-D135 PolarHBondContact OG1-OD2 3.26Å |
| 136 | G | 97.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 41% | 0.412 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 137 | T | 95.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 15.7 Ų | 15.7 | 38% | 0.38 | 11% | 0.111 | S | C | . | . | trans | -109.6 | -3.6 | 177 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | R17 Q64 N65 P139 | R17-T137 VanDerWaalsContact CZ-CG2 3.44Å; R17-T137 PolarHBondContact NH1-OG1 3.01Å; Q64-T137 WeakPolarHBondContact CG-O 3.28Å; N65-T137 PolarHBondContact N-OG1 3.42Å; N65-T137 PolarHBondContact O-N 3.22Å; N65-T137 VanDerWaalsContact O-N 3.17Å; N65-T137 PolarHBondContact O-OG1 3.46Å; T137-P139 WeakPolarHBondContact O-CD 3.39Å | ||
| 138 | I | 95.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 5% | 0.046 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.7 | 126.7 | 175.9 | -52.9 | 161.6 | 0 | 0 | 0 | 107.6 | G41 Q64 I66 P140 L144 A149 | G41-I138 VanDerWaalsContact CA-CD1 3.49Å; G41-I138 VanDerWaalsContact N-CD1 3.33Å; Q64-I138 HydrophobicContact CB-CB 4.4Å; Q64-I138 HydrophobicContact CB-CG1 3.86Å; Q64-I138 WeakPolarHBondContact O-CG1 3.44Å; I66-I138 HydrophobicContact CD1-CD1 4.39Å; I66-I138 HydrophobicContact CG1-CD1 4.17Å; I138-P140 WeakPolarHBondContact O-CD 3.13Å; I138-P140 VanDerWaalsContact O-N 3.09Å; I138-L144 HydrophobicContact CG2-CB 3.74Å; I138-A149 HydrophobicContact CD1-CB 3.41Å; I138-A149 VanDerWaalsContact CD1-CB 3.41Å |
| 139 | P | 90.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 119.2 | 174.2 | -25.1 | 32.8 | 0 | 0 | 0 | 110.2 | T137 S142 L144 Q441 | T137-P139 WeakPolarHBondContact O-CD 3.39Å; P139-S142 WeakPolarHBondContact O-CB 3.45Å; P139-S142 PolarHBondContact O-OG 3.21Å; P139-L144 HydrophobicContact CG-CD1 4.06Å; P139-Q441 WeakPolarHBondContact CG-O 3.42Å |
| 140 | P | 86.2 | Confident | 94.9 | Very high | 48 Ų | 48 | 14.8 Ų | 14.8 | 31% | 0.312 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 151.9 | -175.2 | 27.5 | -34.4 | 0 | 0 | 0 | 110.8 | I138 S142 | I138-P140 WeakPolarHBondContact O-CD 3.13Å; I138-P140 VanDerWaalsContact O-N 3.09Å; P140-S142 PolarHBondContact O-N 2.98Å |
| 141 | S | 87.6 | Confident | 95 | Very high | 26 Ų | 26 | 14.8 Ų | 14.8 | 18% | 0.182 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 24.9 | 173.1 | -58.4 | 0 | 0 | 0 | 0 | 115.2 | M232 | S141-M232 PolarHBondContact O-N 3.44Š|
| 142 | S | 88.6 | Confident | 95 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -111.2 | 11.2 | -169 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | P139 P140 L144 G406 C407 | P139-S142 WeakPolarHBondContact O-CB 3.45Å; P139-S142 PolarHBondContact O-OG 3.21Å; P140-S142 PolarHBondContact O-N 2.98Å; S142-L144 VanDerWaalsContact C-N 3.3Å; S142-L144 PolarHBondContact O-N 2.7Å; S142-G406 VanDerWaalsContact C-CA 3.5Å; S142-G406 CarbonylContact O-C 3.48Å; S142-G406 VanDerWaalsContact O-CA 3.28Å; S142-G406 WeakPolarHBondContact O-CA 3.33Å; S142-C407 VanDerWaalsContact O-CB 3.3Å; S142-C407 WeakPolarHBondContact O-CB 3.44Å; S142-C407 PolarHBondContact O-N 3Å; S142-C407 PolarHBondContact O-SG 2.91Å |
| 143 | G | 88.2 | Confident | 95 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 77.8 | 9.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R42 | R42-G143 PolarHBondContact NH1-O 3.47Š|
| 144 | L | 94.2 | Very high | 95 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -101.5 | 14.6 | 176.9 | -58.5 | 176.2 | 0 | 0 | 0 | 114.9 | G41 R42 I62 I138 P139 S142 I225 T400 C407 F444 | G41-L144 WeakPolarHBondContact CA-O 3.42Å; R42-L144 PolarHBondContact N-O 2.73Å; R42-L144 CarbonylContact O-C 3.56Å; R42-L144 WeakPolarHBondContact O-CA 3.31Å; I62-L144 HydrophobicContact CD1-CB 4.17Å; I62-L144 HydrophobicContact CD1-CD1 4.14Å; I62-L144 HydrophobicContact CD1-CD2 4.47Å; I138-L144 HydrophobicContact CG2-CB 3.74Å; P139-L144 HydrophobicContact CG-CD1 4.06Å; S142-L144 VanDerWaalsContact C-N 3.3Å; S142-L144 PolarHBondContact O-N 2.7Å; L144-I225 HydrophobicContact CD1-CG2 4.02Å; L144-I225 HydrophobicContact CD2-CG2 3.99Å; L144-T400 HydrophobicContact CD2-CG2 4.16Å; L144-C407 HydrophobicContact CD2-CB 4.04Å; L144-C407 HydrophobicContact CG-CB 4.19Å; L144-F444 HydrophobicContact CD1-CZ 4.13Å |
| 145 | S | 94.4 | Very high | 95 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | trans | 62.5 | 40.7 | 175.6 | -50.7 | 0 | 0 | 0 | 0 | 116.4 | R42 S147 S148 A149 D190 | R42-S145 WeakPolarHBondContact CG-OG 3.46Å; R42-S145 PolarHBondContact NE-OG 2.89Å; R42-S145 PolarHBondContact NH1-OG 3.1Å; R42-S145 PolarHBondContact NH2-OG 3.14Å; S145-S147 PolarHBondContact O-N 3.34Å; S145-S148 PolarHBondContact O-N 3.49Å; S145-A149 WeakPolarHBondContact O-CB 3.3Å; S145-A149 PolarHBondContact O-N 2.72Å; S145-D190 WeakPolarHBondContact CB-OD2 3.4Å; S145-D190 PolarHBondContact OG-OD1 3.32Å; S145-D190 PolarHBondContact OG-OD2 3.35Å | ||
| 146 | S | 94.9 | Very high | 95 | Very high | 26 Ų | 26 | 13 Ų | 13 | 18% | 0.182 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58 | -33.6 | 171.1 | 62.9 | 0 | 0 | 0 | 0 | 113 | L150 | S146-L150 PolarHBondContact O-N 3.42Å; S146-L150 VanDerWaalsContact O-N 3.15Å |
| 147 | S | 95.2 | Very high | 95.1 | Very high | 25 Ų | 25 | 11.1 Ų | 11.1 | 18% | 0.175 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.3 | -53.1 | 176.8 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | Y110 S145 A149 L150 V151 E179 | Y110-S147 VanDerWaalsContact CE1-CB 3.48Å; S145-S147 PolarHBondContact O-N 3.34Å; S147-A149 VanDerWaalsContact C-N 3.33Å; S147-A149 PolarHBondContact O-N 2.94Å; S147-L150 WeakPolarHBondContact O-CB 3.41Å; S147-L150 PolarHBondContact O-N 3.23Å; S147-L150 VanDerWaalsContact O-N 3.07Å; S147-V151 WeakPolarHBondContact O-CG2 3.3Å; S147-V151 PolarHBondContact O-N 3.2Å; S147-E179 VanDerWaalsContact CB-OE1 3.32Å; S147-E179 WeakPolarHBondContact CB-OE1 3.28Å; S147-E179 PolarHBondContact OG-OE1 3.01Å |
| 148 | S | 98.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.014 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | -179.5 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | S145 L150 V151 C152 E179 D190 | S145-S148 PolarHBondContact O-N 3.49Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.77Å; S148-V151 PolarHBondContact O-N 2.86Å; S148-C152 VanDerWaalsContact O-CB 3.31Å; S148-C152 WeakPolarHBondContact O-CB 3.45Å; S148-C152 PolarHBondContact O-N 2.94Å; S148-C152 PolarHBondContact O-SG 3.06Å; S148-E179 WeakPolarHBondContact CA-OE2 3.42Å; S148-E179 VanDerWaalsContact CB-OE2 3.29Å; S148-E179 WeakPolarHBondContact CB-OE2 3.37Å; S148-E179 PolarHBondContact N-OE1 3.07Å; S148-E179 VanDerWaalsContact OG-CD 3.3Å; S148-E179 PolarHBondContact OG-OE1 3.44Å; S148-E179 VanDerWaalsContact OG-OE1 3.13Å; S148-E179 PolarHBondContact OG-OE2 3.44Å; S148-D190 VanDerWaalsContact OG-CB 3.29Å; S148-D190 WeakPolarHBondContact OG-CB 3.15Å |
| 149 | A | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A39 I66 I138 S145 S147 C153 | A39-A149 WeakPolarHBondContact CB-O 3.34Å; I66-A149 HydrophobicContact CB-CB 4.43Å; I66-A149 HydrophobicContact CG1-CB 3.75Å; I138-A149 HydrophobicContact CD1-CB 3.41Å; I138-A149 VanDerWaalsContact CD1-CB 3.41Å; S145-A149 WeakPolarHBondContact O-CB 3.3Å; S145-A149 PolarHBondContact O-N 2.72Å; S147-A149 VanDerWaalsContact C-N 3.33Å; S147-A149 PolarHBondContact O-N 2.94Å; A149-C153 WeakPolarHBondContact O-CB 3.17Å; A149-C153 PolarHBondContact O-N 3.3Å |
| 150 | L | 98.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 9.7 Ų | 9.7 | 8% | 0.079 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 175.5 | -179.6 | 58.1 | 0 | 0 | 0 | 112 | I66 W107 F111 V134 S146 S147 S148 S154 | I66-L150 HydrophobicContact CG1-CB 4.2Å; I66-L150 HydrophobicContact CG2-CD1 4.04Å; W107-L150 HydrophobicContact CE3-CD2 4.11Å; W107-L150 WeakPolarHBondContact O-CD2 3.23Å; F111-L150 HydrophobicContact CB-CD1 4.46Å; F111-L150 HydrophobicContact CD2-CD1 4.03Å; V134-L150 HydrophobicContact CG1-CD1 3.99Å; S146-L150 PolarHBondContact O-N 3.42Å; S146-L150 VanDerWaalsContact O-N 3.15Å; S147-L150 WeakPolarHBondContact O-CB 3.41Å; S147-L150 PolarHBondContact O-N 3.23Å; S147-L150 VanDerWaalsContact O-N 3.07Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.77Å; L150-S154 WeakPolarHBondContact O-CB 3.38Å; L150-S154 PolarHBondContact O-N 2.84Å; L150-S154 PolarHBondContact O-OG 2.84Å |
| 151 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | Y110 C113 S147 S148 S154 G155 C175 E179 | Y110-V151 HydrophobicContact CD1-CG2 4.35Å; Y110-V151 WeakPolarHBondContact O-CG2 3.41Å; C113-V151 HydrophobicContact CB-CG1 4.26Å; C113-V151 HydrophobicContact CB-CG2 4.13Å; S147-V151 WeakPolarHBondContact O-CG2 3.3Å; S147-V151 PolarHBondContact O-N 3.2Å; S148-V151 PolarHBondContact O-N 2.86Å; V151-S154 PolarHBondContact O-N 3.28Å; V151-S154 PolarHBondContact O-OG 2.88Å; V151-S154 VanDerWaalsContact O-OG 3.04Å; V151-G155 PolarHBondContact O-N 2.92Å; V151-C175 HydrophobicContact CG1-CB 3.96Å; V151-E179 HydrophobicContact CG1-CB 4.25Å; V151-E179 HydrophobicContact CG2-CB 4.1Å; V151-E179 HydrophobicContact CG2-CG 3.96Å |
| 152 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 179.3 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | A39 S148 G155 L156 Q191 F195 | A39-C152 HydrophobicContact CB-CB 3.97Å; S148-C152 VanDerWaalsContact O-CB 3.31Å; S148-C152 WeakPolarHBondContact O-CB 3.45Å; S148-C152 PolarHBondContact O-N 2.94Å; S148-C152 PolarHBondContact O-SG 3.06Å; C152-G155 PolarHBondContact O-N 3.2Å; C152-L156 WeakPolarHBondContact O-CB 3.4Å; C152-L156 PolarHBondContact O-N 3.5Å; C152-Q191 VanDerWaalsContact SG-CA 3.6Å; C152-F195 HydrophobicContact CB-CD2 4.32Å; C152-F195 HydrophobicContact CB-CE2 3.56Å; C152-F195 HydrophobicContact CB-CZ 3.7Å; C152-F195 WeakPolarHBondContact O-CZ 3.49Å; C152-F195 WeakPolarHBondContact SG-CE2 3.44Å |
| 153 | C | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.4 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | A37 A39 I66 A149 L156 L157 | A37-C153 PolarHBondContact O-SG 3.06Å; A37-C153 VanDerWaalsContact O-SG 3.37Å; A39-C153 HydrophobicContact CB-CB 3.8Å; I66-C153 HydrophobicContact CB-CB 4.26Å; I66-C153 HydrophobicContact CG2-CB 3.91Å; A149-C153 WeakPolarHBondContact O-CB 3.17Å; A149-C153 PolarHBondContact O-N 3.3Å; C153-L156 PolarHBondContact O-N 3.35Å; C153-L157 WeakPolarHBondContact O-CD2 3.32Å; C153-L157 WeakPolarHBondContact O-CG 3.14Å; C153-L157 PolarHBondContact O-N 3.14Å |
| 154 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.8 | -37.5 | -179.8 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | F111 G114 L150 V151 L157 T158 | F111-S154 VanDerWaalsContact O-CB 3.24Å; F111-S154 WeakPolarHBondContact O-CB 3.18Å; F111-S154 PolarHBondContact O-OG 3.4Å; G114-S154 VanDerWaalsContact CA-OG 3.31Å; G114-S154 WeakPolarHBondContact CA-OG 3.06Å; L150-S154 WeakPolarHBondContact O-CB 3.38Å; L150-S154 PolarHBondContact O-N 2.84Å; L150-S154 PolarHBondContact O-OG 2.84Å; V151-S154 PolarHBondContact O-N 3.28Å; V151-S154 PolarHBondContact O-OG 2.88Å; V151-S154 VanDerWaalsContact O-OG 3.04Å; S154-L157 WeakPolarHBondContact O-CG 3.34Å; S154-T158 VanDerWaalsContact O-CB 3.24Å; S154-T158 WeakPolarHBondContact O-CB 3.31Å; S154-T158 PolarHBondContact O-N 3.49Å; S154-T158 PolarHBondContact O-OG1 2.92Å |
| 155 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | I118 V151 C152 T158 M159 | I118-G155 VanDerWaalsContact CG1-O 3.32Å; I118-G155 WeakPolarHBondContact CG1-O 3.26Å; V151-G155 PolarHBondContact O-N 2.92Å; C152-G155 PolarHBondContact O-N 3.2Å; G155-T158 PolarHBondContact O-N 3.19Å; G155-M159 WeakPolarHBondContact O-CB 3.17Å; G155-M159 PolarHBondContact O-N 3.43Å |
| 156 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -50.8 | 178.6 | -179.5 | 58.1 | 0 | 0 | 0 | 112.3 | P5 A37 C152 C153 T158 M159 E160 L171 F195 A452 V454 | P5-L156 HydrophobicContact CB-CD1 3.81Å; P5-L156 HydrophobicContact CG-CD1 3.75Å; A37-L156 HydrophobicContact CB-CD2 4.43Å; C152-L156 WeakPolarHBondContact O-CB 3.4Å; C152-L156 PolarHBondContact O-N 3.5Å; C153-L156 PolarHBondContact O-N 3.35Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 3.41Å; L156-M159 HydrophobicContact CD1-CE 3.88Å; L156-M159 WeakPolarHBondContact O-CB 3.43Å; L156-M159 PolarHBondContact O-N 3.49Å; L156-E160 PolarHBondContact O-N 2.95Å; L156-L171 HydrophobicContact CD1-CD1 4.22Å; L156-F195 HydrophobicContact CB-CE1 4.27Å; L156-A452 HydrophobicContact CD2-CB 4.08Å; L156-V454 HydrophobicContact CD1-CG2 4.05Å; L156-V454 HydrophobicContact CD2-CG2 4.18Å; L156-V454 HydrophobicContact CG-CG2 4Å |
| 157 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.7 | -32.1 | 179.6 | 68 | 86.8 | 0 | 0 | 0 | 112.4 | F35 A37 A68 V70 F111 M130 C153 S154 E160 A161 | F35-L157 HydrophobicContact CE2-CB 3.86Å; F35-L157 HydrophobicContact CZ-CB 4.15Å; A37-L157 HydrophobicContact CB-CB 3.89Å; A68-L157 HydrophobicContact CB-CD2 3.84Å; V70-L157 HydrophobicContact CG2-CB 4.07Å; V70-L157 HydrophobicContact CG2-CD1 4.42Å; V70-L157 HydrophobicContact CG2-CD2 4.03Å; V70-L157 HydrophobicContact CG2-CG 4.39Å; F111-L157 HydrophobicContact CE1-CD1 4.37Å; F111-L157 HydrophobicContact CE2-CD2 3.84Å; F111-L157 HydrophobicContact CZ-CD1 3.68Å; F111-L157 HydrophobicContact CZ-CD2 3.83Å; F111-L157 HydrophobicContact CZ-CG 4.29Å; M130-L157 HydrophobicContact SD-CD1 3.57Å; M130-L157 VanDerWaalsContact SD-CD1 3.57Å; C153-L157 WeakPolarHBondContact O-CD2 3.32Å; C153-L157 WeakPolarHBondContact O-CG 3.14Å; C153-L157 PolarHBondContact O-N 3.14Å; S154-L157 WeakPolarHBondContact O-CG 3.34Å; L157-E160 PolarHBondContact O-N 3.49Å; L157-A161 WeakPolarHBondContact O-CB 3.41Å; L157-A161 PolarHBondContact O-N 3.03Å |
| 158 | T | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | V115 I118 L127 S154 G155 L156 N162 | V115-T158 HydrophobicContact CG1-CG2 4.19Å; V115-T158 WeakPolarHBondContact CG2-OG1 3.47Å; I118-T158 HydrophobicContact CB-CG2 3.9Å; I118-T158 HydrophobicContact CG1-CG2 4.43Å; I118-T158 HydrophobicContact CG2-CG2 3.89Å; L127-T158 HydrophobicContact CD2-CG2 4.13Å; S154-T158 VanDerWaalsContact O-CB 3.24Å; S154-T158 WeakPolarHBondContact O-CB 3.31Å; S154-T158 PolarHBondContact O-N 3.49Å; S154-T158 PolarHBondContact O-OG1 2.92Å; G155-T158 PolarHBondContact O-N 3.19Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 3.41Å; T158-N162 WeakPolarHBondContact O-CB 3.23Å; T158-N162 PolarHBondContact O-N 2.85Å; T158-N162 VanDerWaalsContact O-N 3.13Å; T158-N162 PolarHBondContact O-ND2 2.84Å |
| 159 | M | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 174.1 | -178.8 | -162.4 | 74 | 0 | 0 | 111 | I118 G155 L156 N162 Q163 K164 L166 L171 | I118-M159 HydrophobicContact CD1-CB 4.22Å; I118-M159 HydrophobicContact CG2-CB 4.37Å; G155-M159 WeakPolarHBondContact O-CB 3.17Å; G155-M159 PolarHBondContact O-N 3.43Å; L156-M159 HydrophobicContact CD1-CE 3.88Å; L156-M159 WeakPolarHBondContact O-CB 3.43Å; L156-M159 PolarHBondContact O-N 3.49Å; M159-N162 PolarHBondContact O-N 3.25Å; M159-Q163 PolarHBondContact O-N 2.79Å; M159-K164 HydrophobicContact CG-CB 3.91Å; M159-K164 WeakPolarHBondContact CG-O 3.25Å; M159-K164 PolarHBondContact O-N 2.79Å; M159-L166 HydrophobicContact SD-CB 3.69Å; M159-L166 HydrophobicContact SD-CD1 4.27Å; M159-L166 HydrophobicContact SD-CG 4.05Å; M159-L166 PolarHBondContact SD-N 3.18Å; M159-L171 HydrophobicContact CE-CD1 4.38Å; M159-L171 HydrophobicContact SD-CD1 4.03Å; M159-L171 HydrophobicContact SD-CD2 4.15Å; M159-L171 HydrophobicContact SD-CG 4.39Å |
| 160 | E | 98.3 | Very high | 98.1 | Very high | 40 Ų | 40 | 27.3 Ų | 27.3 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 179.8 | -175.4 | 63.3 | -160.4 | 0 | 0 | 111.9 | K7 F35 L156 L157 N162 Q163 V454 | K7-E160 WeakPolarHBondContact CE-OE2 3.41Å; K7-E160 IonicContact NZ-OE1 2.61Å; K7-E160 PolarHBondContact NZ-OE1 2.84Å; K7-E160 IonicContact NZ-OE2 2.84Å; K7-E160 PolarHBondContact NZ-OE2 2.87Å; F35-E160 HydrophobicContact CD2-CG 4.28Å; F35-E160 HydrophobicContact CE1-CG 4.21Å; F35-E160 HydrophobicContact CE2-CB 4.13Å; F35-E160 HydrophobicContact CE2-CG 3.96Å; F35-E160 HydrophobicContact CZ-CB 4.04Å; F35-E160 HydrophobicContact CZ-CG 3.92Å; L156-E160 PolarHBondContact O-N 2.95Å; L157-E160 PolarHBondContact O-N 3.49Å; E160-N162 PolarHBondContact O-N 3.45Å; E160-Q163 PolarHBondContact O-N 3.4Å; E160-V454 HydrophobicContact CB-CG2 4.46Å; E160-V454 HydrophobicContact CG-CG1 4.37Å; E160-V454 HydrophobicContact CG-CG2 4.37Å |
| 161 | A | 97.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 5% | 0.05 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -30.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F35 V72 M130 L157 | F35-A161 HydrophobicContact CZ-CB 4.42Å; V72-A161 HydrophobicContact CG2-CB 3.73Å; M130-A161 HydrophobicContact CE-CB 3.99Å; L157-A161 WeakPolarHBondContact O-CB 3.41Å; L157-A161 PolarHBondContact O-N 3.03Å |
| 162 | N | 97.4 | Very high | 98.1 | Very high | 24 Ų | 24 | 26.6 Ų | 26.6 | 13% | 0.128 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 11 | 176.7 | -69.9 | -89.4 | 0 | 0 | 0 | 113.1 | I124 A128 T158 M159 E160 K164 | I124-N162 HydrophobicContact CD1-CB 4.11Å; A128-N162 PolarHBondContact N-OD1 2.88Å; T158-N162 WeakPolarHBondContact O-CB 3.23Å; T158-N162 PolarHBondContact O-N 2.85Å; T158-N162 VanDerWaalsContact O-N 3.13Å; T158-N162 PolarHBondContact O-ND2 2.84Å; M159-N162 PolarHBondContact O-N 3.25Å; E160-N162 PolarHBondContact O-N 3.45Å; N162-K164 VanDerWaalsContact C-N 3.25Å; N162-K164 HydrophobicContact CB-CG 4.22Å; N162-K164 WeakPolarHBondContact O-CG 3.44Å; N162-K164 PolarHBondContact O-N 2.83Å |
| 163 | Q | 96.9 | Very high | 98 | Very high | 182 Ų | 182 | 30.1 Ų | 30.1 | 85% | 0.85 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 41.4 | 177.1 | -55.7 | 175.8 | 24.1 | 0 | 0 | 112.7 | M159 E160 | M159-Q163 PolarHBondContact O-N 2.79Å; E160-Q163 PolarHBondContact O-N 3.4Å |
| 164 | K | 97.4 | Very high | 98 | Very high | 89 Ų | 89 | 31.1 Ų | 31.1 | 39% | 0.387 | 16% | 0.16 | S | C | . | . | trans | -103.4 | 168 | 175.9 | -57.8 | -54.9 | -180 | -176 | 0 | 110.7 | F122 I124 M159 N162 | F122-K164 HydrophobicContact CD1-CD 4.1Å; F122-K164 HydrophobicContact CD1-CG 4.25Å; F122-K164 HydrophobicContact CD2-CB 4.07Å; F122-K164 HydrophobicContact CD2-CG 3.91Å; F122-K164 HydrophobicContact CE1-CB 4.12Å; F122-K164 HydrophobicContact CE1-CD 4.28Å; F122-K164 HydrophobicContact CE1-CG 4.31Å; F122-K164 HydrophobicContact CE2-CB 3.59Å; F122-K164 HydrophobicContact CE2-CG 3.97Å; F122-K164 HydrophobicContact CG-CD 4.28Å; F122-K164 HydrophobicContact CG-CG 4.04Å; F122-K164 HydrophobicContact CZ-CB 3.62Å; F122-K164 HydrophobicContact CZ-CG 4.18Å; I124-K164 HydrophobicContact CD1-CG 4.49Å; M159-K164 HydrophobicContact CG-CB 3.91Å; M159-K164 WeakPolarHBondContact CG-O 3.25Å; M159-K164 PolarHBondContact O-N 2.79Å; N162-K164 VanDerWaalsContact C-N 3.25Å; N162-K164 HydrophobicContact CB-CG 4.22Å; N162-K164 WeakPolarHBondContact O-CG 3.44Å; N162-K164 PolarHBondContact O-N 2.83Å | ||
| 165 | S | 96.4 | Very high | 98 | Very high | 72 Ų | 72 | 31.1 Ų | 31.1 | 50% | 0.503 | 16% | 0.16 | S | C | . | . | trans | -137.5 | 134.1 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | N4 | N4-S165 PolarHBondContact ND2-OG 2.96Š| ||
| 166 | L | 97.4 | Very high | 98 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | trans | -141.8 | 151.6 | 174.7 | -69.2 | 172.1 | 0 | 0 | 0 | 109.4 | N4 P5 I118 K121 F122 M159 D170 L171 I174 | N4-L166 PolarHBondContact OD1-O 3.43Å; P5-L166 WeakPolarHBondContact CD-O 3.44Å; I118-L166 HydrophobicContact CD1-CD1 3.87Å; K121-L166 HydrophobicContact CG-CD1 4.39Å; K121-L166 HydrophobicContact CG-CD2 4.34Å; F122-L166 HydrophobicContact CE1-CD2 4.43Å; F122-L166 HydrophobicContact CE2-CD1 3.71Å; F122-L166 HydrophobicContact CE2-CD2 4.08Å; F122-L166 HydrophobicContact CE2-CG 3.8Å; F122-L166 HydrophobicContact CZ-CD1 4.05Å; F122-L166 HydrophobicContact CZ-CD2 3.57Å; F122-L166 HydrophobicContact CZ-CG 3.6Å; M159-L166 HydrophobicContact SD-CB 3.69Å; M159-L166 HydrophobicContact SD-CD1 4.27Å; M159-L166 HydrophobicContact SD-CG 4.05Å; M159-L166 PolarHBondContact SD-N 3.18Å; L166-D170 HydrophobicContact CB-CB 4.12Å; L166-D170 HydrophobicContact CD2-CB 4.07Å; L166-L171 HydrophobicContact CB-CD1 4.33Å; L166-L171 HydrophobicContact CB-CD2 4.37Å; L166-L171 HydrophobicContact CB-CG 3.86Å; L166-L171 HydrophobicContact CD1-CD2 3.86Å; L166-L171 HydrophobicContact CD1-CG 4.15Å; L166-I174 HydrophobicContact CD1-CD1 3.53Å; L166-I174 HydrophobicContact CD2-CD1 4.48Å | ||
| 167 | S | 98.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | trans | -69.9 | 160.5 | 169.8 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | V169 D170 L171 | S167-V169 PolarHBondContact O-N 2.75Å; S167-V169 PolarHBondContact OG-N 2.89Å; S167-D170 WeakPolarHBondContact CB-OD2 3.36Å; S167-D170 PolarHBondContact N-OD2 3.2Å; S167-D170 PolarHBondContact O-N 3.14Å; S167-D170 VanDerWaalsContact OG-CG 3.3Å; S167-D170 PolarHBondContact OG-N 2.69Å; S167-D170 VanDerWaalsContact OG-N 3.09Å; S167-D170 PolarHBondContact OG-OD2 3.04Å; S167-L171 PolarHBondContact O-N 3.3Å | ||
| 168 | K | 98.4 | Very high | 97.9 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.1 | -37.6 | 171.9 | -73.2 | 171.6 | 173.5 | -164 | 0 | 112.3 | S3 P5 A172 F195 L196 | S3-K168 WeakPolarHBondContact O-CB 3.34Å; S3-K168 VanDerWaalsContact O-CG 3.28Å; S3-K168 WeakPolarHBondContact O-CG 3.44Å; S3-K168 PolarHBondContact O-N 3.45Å; P5-K168 HydrophobicContact CG-CG 4.16Å; K168-A172 WeakPolarHBondContact O-CB 3.26Å; K168-A172 PolarHBondContact O-N 2.9Å; K168-F195 HydrophobicContact CB-CB 4.17Å; K168-F195 WeakPolarHBondContact CD-O 3.08Å; K168-L196 HydrophobicContact CB-CD2 3.63Å; K168-L196 HydrophobicContact CD-CD2 4.46Å |
| 169 | V | 97.9 | Very high | 97.8 | Very high | 33 Ų | 33 | 39 Ų | 39 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -49.6 | 178.2 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | A2 S167 L171 A172 E173 L196 L210 | A2-V169 HydrophobicContact CB-CB 4.19Å; A2-V169 HydrophobicContact CB-CG2 3.92Å; S167-V169 PolarHBondContact O-N 2.75Å; S167-V169 PolarHBondContact OG-N 2.89Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 2.92Å; V169-A172 WeakPolarHBondContact O-CB 3.45Å; V169-A172 PolarHBondContact O-N 3.41Å; V169-E173 WeakPolarHBondContact O-CG 3.28Å; V169-E173 PolarHBondContact O-N 2.74Å; V169-L196 HydrophobicContact CG2-CD2 3.96Å; V169-L210 HydrophobicContact CG1-CB 4.17Å; V169-L210 HydrophobicContact CG1-CD2 4.07Å; V169-L210 HydrophobicContact CG1-CG 4.29Å |
| 170 | D | 98 | Very high | 97.7 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 178.1 | -69.2 | -64.4 | 0 | 0 | 0 | 111.5 | L166 S167 E173 I174 | L166-D170 HydrophobicContact CB-CB 4.12Å; L166-D170 HydrophobicContact CD2-CB 4.07Å; S167-D170 WeakPolarHBondContact CB-OD2 3.36Å; S167-D170 PolarHBondContact N-OD2 3.2Å; S167-D170 PolarHBondContact O-N 3.14Å; S167-D170 VanDerWaalsContact OG-CG 3.3Å; S167-D170 PolarHBondContact OG-N 2.69Å; S167-D170 VanDerWaalsContact OG-N 3.09Å; S167-D170 PolarHBondContact OG-OD2 3.04Å; D170-E173 PolarHBondContact O-N 2.99Å; D170-I174 HydrophobicContact CB-CD1 4.49Å; D170-I174 WeakPolarHBondContact O-CB 3.3Å; D170-I174 VanDerWaalsContact O-CD1 3.28Å; D170-I174 WeakPolarHBondContact O-CD1 3.34Å; D170-I174 WeakPolarHBondContact O-CG1 3.36Å; D170-I174 PolarHBondContact O-N 3.01Å |
| 171 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.3 | -79.9 | 165.1 | 0 | 0 | 0 | 112.2 | P5 I118 L156 M159 L166 S167 V169 I174 C175 F195 | P5-L171 HydrophobicContact CG-CD1 3.35Å; I118-L171 HydrophobicContact CD1-CD2 3.84Å; L156-L171 HydrophobicContact CD1-CD1 4.22Å; M159-L171 HydrophobicContact CE-CD1 4.38Å; M159-L171 HydrophobicContact SD-CD1 4.03Å; M159-L171 HydrophobicContact SD-CD2 4.15Å; M159-L171 HydrophobicContact SD-CG 4.39Å; L166-L171 HydrophobicContact CB-CD1 4.33Å; L166-L171 HydrophobicContact CB-CD2 4.37Å; L166-L171 HydrophobicContact CB-CG 3.86Å; L166-L171 HydrophobicContact CD1-CD2 3.86Å; L166-L171 HydrophobicContact CD1-CG 4.15Å; S167-L171 PolarHBondContact O-N 3.3Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 2.92Å; L171-I174 PolarHBondContact O-N 2.87Å; L171-C175 VanDerWaalsContact O-CB 3.29Å; L171-C175 WeakPolarHBondContact O-CB 3.24Å; L171-C175 PolarHBondContact O-N 2.85Å; L171-C175 PolarHBondContact O-SG 3.09Å; L171-F195 HydrophobicContact CB-CD1 4.1Å; L171-F195 HydrophobicContact CB-CD2 4.02Å; L171-F195 HydrophobicContact CB-CE1 3.85Å; L171-F195 HydrophobicContact CB-CE2 3.71Å; L171-F195 HydrophobicContact CB-CG 4.21Å; L171-F195 HydrophobicContact CB-CZ 3.64Å; L171-F195 HydrophobicContact CD1-CD1 4.27Å; L171-F195 HydrophobicContact CD1-CE1 3.84Å; L171-F195 HydrophobicContact CD1-CZ 4.3Å; L171-F195 HydrophobicContact CD2-CZ 4.36Å; L171-F195 HydrophobicContact CG-CE1 4.34Å; L171-F195 HydrophobicContact CG-CZ 4.32Å |
| 172 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K168 V169 C175 T176 F195 L210 | K168-A172 WeakPolarHBondContact O-CB 3.26Å; K168-A172 PolarHBondContact O-N 2.9Å; V169-A172 WeakPolarHBondContact O-CB 3.45Å; V169-A172 PolarHBondContact O-N 3.41Å; A172-C175 PolarHBondContact O-N 2.63Å; A172-T176 VanDerWaalsContact O-CB 3.31Å; A172-T176 WeakPolarHBondContact O-CB 3.47Å; A172-T176 PolarHBondContact O-N 3.18Å; A172-T176 PolarHBondContact O-OG1 3.41Å; A172-F195 HydrophobicContact CB-CB 4.43Å; A172-F195 HydrophobicContact CB-CD2 4.03Å; A172-L210 HydrophobicContact CB-CD2 3.79Å |
| 173 | E | 97.9 | Very high | 97.2 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 178.9 | -70 | -173.3 | 155.4 | 0 | 0 | 112.6 | V169 D170 K177 L210 | V169-E173 WeakPolarHBondContact O-CG 3.28Å; V169-E173 PolarHBondContact O-N 2.74Å; D170-E173 PolarHBondContact O-N 2.99Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 2.76Å; E173-K177 VanDerWaalsContact O-N 3.14Å; E173-L210 HydrophobicContact CG-CB 4.44Å; E173-L210 HydrophobicContact CG-CD2 3.8Å |
| 174 | I | 98.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -49.8 | 177.1 | -70.5 | 159.9 | 0 | 0 | 0 | 110 | I118 K121 L166 D170 L171 T176 K177 S178 | I118-I174 HydrophobicContact CD1-CG2 4.47Å; K121-I174 HydrophobicContact CB-CD1 3.96Å; K121-I174 HydrophobicContact CD-CD1 3.74Å; K121-I174 HydrophobicContact CD-CG1 4.36Å; K121-I174 HydrophobicContact CG-CD1 3.57Å; K121-I174 HydrophobicContact CG-CG1 4.49Å; L166-I174 HydrophobicContact CD1-CD1 3.53Å; L166-I174 HydrophobicContact CD2-CD1 4.48Å; D170-I174 HydrophobicContact CB-CD1 4.49Å; D170-I174 WeakPolarHBondContact O-CB 3.3Å; D170-I174 VanDerWaalsContact O-CD1 3.28Å; D170-I174 WeakPolarHBondContact O-CD1 3.34Å; D170-I174 WeakPolarHBondContact O-CG1 3.36Å; D170-I174 PolarHBondContact O-N 3.01Å; L171-I174 PolarHBondContact O-N 2.87Å; I174-T176 VanDerWaalsContact C-N 3.28Å; I174-T176 PolarHBondContact O-N 3.27Å; I174-K177 PolarHBondContact O-N 2.85Å; I174-K177 VanDerWaalsContact O-N 3.14Å; I174-S178 WeakPolarHBondContact O-CB 3.38Å; I174-S178 PolarHBondContact O-N 3.13Å; I174-S178 PolarHBondContact O-OG 3.24Å |
| 175 | C | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -34.8 | 180 | -66 | 0 | 0 | 0 | 0 | 111.8 | V151 L171 A172 K177 S178 E179 Q191 F195 | V151-C175 HydrophobicContact CG1-CB 3.96Å; L171-C175 VanDerWaalsContact O-CB 3.29Å; L171-C175 WeakPolarHBondContact O-CB 3.24Å; L171-C175 PolarHBondContact O-N 2.85Å; L171-C175 PolarHBondContact O-SG 3.09Å; A172-C175 PolarHBondContact O-N 2.63Å; C175-K177 VanDerWaalsContact C-N 3.33Å; C175-K177 PolarHBondContact O-N 3.37Å; C175-S178 PolarHBondContact O-N 3.2Å; C175-E179 WeakPolarHBondContact O-CB 3.23Å; C175-E179 PolarHBondContact O-N 2.78Å; C175-Q191 HydrophobicContact CB-CB 4.08Å; C175-Q191 HydrophobicContact CB-CG 3.98Å; C175-F195 HydrophobicContact CB-CE2 4.35Å |
| 176 | T | 97.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 33 Ų | 33 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 173 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | A172 I174 G188 Q191 | A172-T176 VanDerWaalsContact O-CB 3.31Å; A172-T176 WeakPolarHBondContact O-CB 3.47Å; A172-T176 PolarHBondContact O-N 3.18Å; A172-T176 PolarHBondContact O-OG1 3.41Å; I174-T176 VanDerWaalsContact C-N 3.28Å; I174-T176 PolarHBondContact O-N 3.27Å; T176-G188 VanDerWaalsContact CG2-CA 3.47Å; T176-G188 WeakPolarHBondContact OG1-CA 3.39Å; T176-Q191 PolarHBondContact OG1-OE1 2.88Å |
| 177 | K | 97.3 | Very high | 96.3 | Very high | 137 Ų | 137 | 32.6 Ų | 32.6 | 60% | 0.596 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -71.4 | -42.2 | 179.6 | -69.6 | 171.2 | -174.2 | 171.7 | 0 | 111.2 | E173 I174 C175 R180 | E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 2.76Å; E173-K177 VanDerWaalsContact O-N 3.14Å; I174-K177 PolarHBondContact O-N 2.85Å; I174-K177 VanDerWaalsContact O-N 3.14Å; C175-K177 VanDerWaalsContact C-N 3.33Å; C175-K177 PolarHBondContact O-N 3.37Å; K177-R180 WeakPolarHBondContact O-CB 3.34Å; K177-R180 PolarHBondContact O-N 3.39Å |
| 178 | S | 97.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -76.6 | -29.7 | -172.8 | 77.6 | 0 | 0 | 0 | 0 | 113.3 | C113 I174 C175 R180 Y181 | C113-S178 WeakPolarHBondContact CB-O 3.35Å; C113-S178 WeakPolarHBondContact O-CB 3.39Å; C113-S178 PolarHBondContact O-OG 3.06Å; C113-S178 PolarHBondContact SG-O 3.38Å; I174-S178 WeakPolarHBondContact O-CB 3.38Å; I174-S178 PolarHBondContact O-N 3.13Å; I174-S178 PolarHBondContact O-OG 3.24Å; C175-S178 PolarHBondContact O-N 3.2Å; S178-R180 PolarHBondContact O-N 2.8Å; S178-Y181 VanDerWaalsContact O-CB 3.29Å; S178-Y181 WeakPolarHBondContact O-CB 3.41Å; S178-Y181 WeakPolarHBondContact O-CD2 3.4Å; S178-Y181 PolarHBondContact O-N 3.16Å |
| 179 | E | 97.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -29.2 | 172.6 | -173.7 | 163.6 | -170.4 | 0 | 0 | 111.5 | S147 S148 V151 C175 Y181 I182 Q191 | S147-E179 VanDerWaalsContact CB-OE1 3.32Å; S147-E179 WeakPolarHBondContact CB-OE1 3.28Å; S147-E179 PolarHBondContact OG-OE1 3.01Å; S148-E179 WeakPolarHBondContact CA-OE2 3.42Å; S148-E179 VanDerWaalsContact CB-OE2 3.29Å; S148-E179 WeakPolarHBondContact CB-OE2 3.37Å; S148-E179 PolarHBondContact N-OE1 3.07Å; S148-E179 VanDerWaalsContact OG-CD 3.3Å; S148-E179 PolarHBondContact OG-OE1 3.44Å; S148-E179 VanDerWaalsContact OG-OE1 3.13Å; S148-E179 PolarHBondContact OG-OE2 3.44Å; V151-E179 HydrophobicContact CG1-CB 4.25Å; V151-E179 HydrophobicContact CG2-CB 4.1Å; V151-E179 HydrophobicContact CG2-CG 3.96Å; C175-E179 WeakPolarHBondContact O-CB 3.23Å; C175-E179 PolarHBondContact O-N 2.78Å; E179-Y181 PolarHBondContact O-N 3.5Å; E179-Y181 VanDerWaalsContact O-N 3.1Å; E179-I182 WeakPolarHBondContact O-CB 3.41Å; E179-I182 WeakPolarHBondContact O-CG2 3.46Å; E179-I182 PolarHBondContact O-N 3.18Å; E179-Q191 PolarHBondContact OE2-NE2 3.02Å |
| 180 | R | 95.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 31.2 Ų | 31.2 | 40% | 0.404 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -63 | -17.6 | 176.5 | -56.6 | -177.7 | 178.2 | 151.6 | 2.9 | 113.8 | K177 S178 I182 G183 T184 G186 | K177-R180 WeakPolarHBondContact O-CB 3.34Å; K177-R180 PolarHBondContact O-N 3.39Å; S178-R180 PolarHBondContact O-N 2.8Å; R180-I182 PolarHBondContact O-N 3.44Å; R180-G183 PolarHBondContact O-N 2.96Å; R180-T184 WeakPolarHBondContact CA-O 3.22Å; R180-T184 WeakPolarHBondContact CG-O 3.5Å; R180-G186 PolarHBondContact NE-O 3.02Å; R180-G186 VanDerWaalsContact NE-O 3.14Å; R180-G186 PolarHBondContact NH2-O 3.2Å |
| 181 | Y | 96.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 29 Ų | 29 | 33% | 0.329 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -60.8 | -22.6 | 172.1 | -69.3 | -53.1 | 0 | 0 | 0 | 113 | I100 K116 E120 S178 E179 G183 | I100-Y181 HydrophobicContact CD1-CD2 4.05Å; I100-Y181 HydrophobicContact CD1-CG 3.93Å; I100-Y181 WeakPolarHBondContact CG2-O 3.29Å; K116-Y181 HydrophobicContact CD-CD2 3.72Å; K116-Y181 HydrophobicContact CD-CE2 3.64Å; K116-Y181 HydrophobicContact CD-CG 4.23Å; K116-Y181 HydrophobicContact CG-CD2 4.31Å; K116-Y181 HydrophobicContact CG-CE2 3.95Å; E120-Y181 VanDerWaalsContact CD-OH 3.27Å; E120-Y181 PolarHBondContact OE1-OH 3.39Å; E120-Y181 PolarHBondContact OE2-OH 2.85Å; S178-Y181 VanDerWaalsContact O-CB 3.29Å; S178-Y181 WeakPolarHBondContact O-CB 3.41Å; S178-Y181 WeakPolarHBondContact O-CD2 3.4Å; S178-Y181 PolarHBondContact O-N 3.16Å; E179-Y181 PolarHBondContact O-N 3.5Å; E179-Y181 VanDerWaalsContact O-N 3.1Å; Y181-G183 PolarHBondContact O-N 3.42Å |
| 182 | I | 94.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -73.9 | -8.1 | 173.6 | -150.4 | 67.5 | 0 | 0 | 0 | 113.4 | I100 P105 Y109 Y110 E179 R180 T184 A235 | I100-I182 HydrophobicContact CG2-CD1 4.17Å; P105-I182 HydrophobicContact CB-CD1 4.19Å; P105-I182 HydrophobicContact CB-CG1 4.2Å; Y109-I182 VanDerWaalsContact CB-CD1 3.49Å; Y110-I182 HydrophobicContact CD1-CG1 4.17Å; Y110-I182 HydrophobicContact CD2-CD1 4.4Å; Y110-I182 HydrophobicContact CE1-CB 4.2Å; Y110-I182 HydrophobicContact CE1-CG1 3.74Å; Y110-I182 HydrophobicContact CE1-CG2 3.89Å; Y110-I182 HydrophobicContact CE2-CD1 4.34Å; Y110-I182 HydrophobicContact CE2-CG1 4.15Å; E179-I182 WeakPolarHBondContact O-CB 3.41Å; E179-I182 WeakPolarHBondContact O-CG2 3.46Å; E179-I182 PolarHBondContact O-N 3.18Å; R180-I182 PolarHBondContact O-N 3.44Å; I182-T184 HydrophobicContact CG2-CG2 4.07Å; I182-T184 WeakPolarHBondContact CG2-OG1 3.48Å; I182-A235 HydrophobicContact CG1-CB 4.13Å; I182-A235 HydrophobicContact CG2-CB 4.13Å |
| 183 | G | 92.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 24% | 0.237 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 103.4 | -6.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R180 Y181 N241 | R180-G183 PolarHBondContact O-N 2.96Å; Y181-G183 PolarHBondContact O-N 3.42Å; G183-N241 PolarHBondContact O-ND2 3.49Å |
| 184 | T | 91.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 9% | 0.092 | 13% | 0.127 | C | C | . | . | trans | -83.8 | 134.5 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | R180 I182 G186 K234 A235 | R180-T184 WeakPolarHBondContact CA-O 3.22Å; R180-T184 WeakPolarHBondContact CG-O 3.5Å; I182-T184 HydrophobicContact CG2-CG2 4.07Å; I182-T184 WeakPolarHBondContact CG2-OG1 3.48Å; T184-G186 VanDerWaalsContact C-N 3.26Å; T184-G186 PolarHBondContact O-N 3.39Å; T184-K234 HydrophobicContact CG2-CB 3.99Å; T184-A235 HydrophobicContact CG2-CB 3.97Å | ||
| 185 | E | 91.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 24.6 Ų | 24.6 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | trans | -93.8 | 42.8 | 176.6 | -62.9 | -162.1 | 168.3 | 0 | 0 | 113.1 | N241 V244 R248 S317 | E185-N241 PolarHBondContact N-OD1 3.24Å; E185-V244 HydrophobicContact CB-CB 4.46Å; E185-V244 HydrophobicContact CB-CG1 4.07Å; E185-V244 HydrophobicContact CB-CG2 4.35Å; E185-R248 IonicContact OE2-CZ 2.71Å; E185-R248 IonicContact OE2-NH1 3.21Å; E185-R248 IonicContact OE2-NH2 3.63Å; E185-R248 PolarHBondContact OE2-NH2 2.94Å; E185-S317 VanDerWaalsContact OE1-CB 3.29Å; E185-S317 WeakPolarHBondContact OE1-CB 3.48Å; E185-S317 PolarHBondContact OE1-OG 3.29Å; E185-S317 PolarHBondContact OE2-OG 3.32Å | ||
| 186 | G | 90.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | trans | -58.4 | 156.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R180 T184 | R180-G186 PolarHBondContact NE-O 3.02Å; R180-G186 VanDerWaalsContact NE-O 3.14Å; R180-G186 PolarHBondContact NH2-O 3.2Å; T184-G186 VanDerWaalsContact C-N 3.26Å; T184-G186 PolarHBondContact O-N 3.39Å | ||
| 187 | G | 94.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | trans | -80 | -164.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D51 Q191 | D51-G187 WeakPolarHBondContact OD2-CA 3.38Å; G187-Q191 PolarHBondContact O-OE1 3.33Å | ||
| 188 | G | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 6% | 0.062 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -105.8 | 6.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | D51 T176 D190 Q191 S192 F207 | D51-G188 PolarHBondContact OD2-N 3.02Å; T176-G188 VanDerWaalsContact CG2-CA 3.47Å; T176-G188 WeakPolarHBondContact OG1-CA 3.39Å; G188-D190 PolarHBondContact O-N 2.98Å; G188-Q191 VanDerWaalsContact C-OE1 3.32Å; G188-Q191 PolarHBondContact O-OE1 3.03Å; G188-S192 WeakPolarHBondContact O-CB 3.49Å; G188-S192 PolarHBondContact O-N 3.21Å; G188-S192 VanDerWaalsContact O-N 3.07Å; G188-S192 PolarHBondContact O-OG 2.9Å; G188-F207 VanDerWaalsContact C-CE1 3.49Å |
| 189 | M | 98.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.9 | -52.3 | -174 | 173 | 173.5 | 59.4 | 0 | 0 | 111.9 | N44 D51 V57 P59 S192 I193 F207 | N44-M189 HydrophobicContact CB-CE 4.09Å; N44-M189 HydrophobicContact CB-SD 3.85Å; N44-M189 PolarHBondContact ND2-SD 3.48Å; N44-M189 VanDerWaalsContact ND2-SD 3.43Å; D51-M189 HydrophobicContact CB-CB 4.05Å; D51-M189 WeakPolarHBondContact OD2-CB 3.24Å; D51-M189 PolarHBondContact OD2-N 3.17Å; V57-M189 HydrophobicContact CB-CG 4.48Å; V57-M189 HydrophobicContact CB-SD 3.96Å; V57-M189 HydrophobicContact CG1-SD 4.3Å; V57-M189 HydrophobicContact CG2-CB 3.92Å; V57-M189 HydrophobicContact CG2-CG 3.65Å; V57-M189 HydrophobicContact CG2-SD 3.79Å; P59-M189 HydrophobicContact CB-CG 4.29Å; P59-M189 HydrophobicContact CB-SD 4.28Å; P59-M189 HydrophobicContact CG-CG 3.99Å; P59-M189 HydrophobicContact CG-SD 4.39Å; M189-S192 PolarHBondContact O-N 3.01Å; M189-I193 WeakPolarHBondContact O-CG2 3.36Å; M189-I193 PolarHBondContact O-N 3.49Å; M189-F207 HydrophobicContact CB-CZ 4.21Å |
| 190 | D | 98.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 33 Ų | 33 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -46.7 | -167 | -64.1 | 6.4 | 0 | 0 | 0 | 111.5 | R42 S145 S148 G188 I193 S194 | R42-D190 IonicContact CZ-OD1 2.76Å; R42-D190 IonicContact CZ-OD2 3.06Å; R42-D190 IonicContact NE-OD1 2.68Å; R42-D190 PolarHBondContact NE-OD1 2.79Å; R42-D190 IonicContact NE-OD2 3.65Å; R42-D190 VanDerWaalsContact NH2-CG 3.25Å; R42-D190 IonicContact NH2-OD1 2.68Å; R42-D190 PolarHBondContact NH2-OD1 3.5Å; R42-D190 IonicContact NH2-OD2 3.12Å; R42-D190 PolarHBondContact NH2-OD2 3.39Å; S145-D190 WeakPolarHBondContact CB-OD2 3.4Å; S145-D190 PolarHBondContact OG-OD1 3.32Å; S145-D190 PolarHBondContact OG-OD2 3.35Å; S148-D190 VanDerWaalsContact OG-CB 3.29Å; S148-D190 WeakPolarHBondContact OG-CB 3.15Å; G188-D190 PolarHBondContact O-N 2.98Å; D190-I193 WeakPolarHBondContact O-CG2 3.12Å; D190-S194 VanDerWaalsContact O-CB 3.28Å; D190-S194 WeakPolarHBondContact O-CB 3.18Å; D190-S194 PolarHBondContact O-N 2.59Å |
| 191 | Q | 98.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.6 | -38.9 | 179.3 | -50.5 | 84.7 | -10.5 | 0 | 0 | 110.6 | C152 C175 T176 E179 G187 G188 S194 F195 | C152-Q191 VanDerWaalsContact SG-CA 3.6Å; C175-Q191 HydrophobicContact CB-CB 4.08Å; C175-Q191 HydrophobicContact CB-CG 3.98Å; T176-Q191 PolarHBondContact OG1-OE1 2.88Å; E179-Q191 PolarHBondContact OE2-NE2 3.02Å; G187-Q191 PolarHBondContact O-OE1 3.33Å; G188-Q191 VanDerWaalsContact C-OE1 3.32Å; G188-Q191 PolarHBondContact O-OE1 3.03Å; Q191-S194 PolarHBondContact O-N 3.42Å; Q191-F195 WeakPolarHBondContact O-CD2 3.37Å; Q191-F195 PolarHBondContact O-N 3.01Å |
| 192 | S | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -50.5 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.5 | G188 M189 S194 F195 L196 L210 | G188-S192 WeakPolarHBondContact O-CB 3.49Å; G188-S192 PolarHBondContact O-N 3.21Å; G188-S192 VanDerWaalsContact O-N 3.07Å; G188-S192 PolarHBondContact O-OG 2.9Å; M189-S192 PolarHBondContact O-N 3.01Å; S192-S194 VanDerWaalsContact C-N 3.3Å; S192-S194 PolarHBondContact O-N 3.46Å; S192-F195 PolarHBondContact O-N 3.4Å; S192-L196 WeakPolarHBondContact O-CB 3.34Å; S192-L196 VanDerWaalsContact O-CG 3.27Å; S192-L196 WeakPolarHBondContact O-CG 3.46Å; S192-L196 PolarHBondContact O-N 3.38Å; S192-L210 WeakPolarHBondContact OG-CD1 3.43Å |
| 193 | I | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 178.6 | -166.9 | 60.3 | 0 | 0 | 0 | 111.6 | R42 P59 M189 D190 F195 A197 K203 I205 | R42-I193 HydrophobicContact CB-CG2 3.41Å; R42-I193 VanDerWaalsContact CB-CG2 3.41Å; R42-I193 HydrophobicContact CG-CG2 3.55Å; P59-I193 HydrophobicContact CB-CB 4.23Å; P59-I193 HydrophobicContact CB-CG1 4.07Å; P59-I193 HydrophobicContact CB-CG2 4.28Å; P59-I193 HydrophobicContact CG-CB 3.81Å; P59-I193 HydrophobicContact CG-CD1 4.12Å; P59-I193 HydrophobicContact CG-CG1 3.91Å; P59-I193 HydrophobicContact CG-CG2 4.27Å; M189-I193 WeakPolarHBondContact O-CG2 3.36Å; M189-I193 PolarHBondContact O-N 3.49Å; D190-I193 WeakPolarHBondContact O-CG2 3.12Å; I193-F195 VanDerWaalsContact C-N 3.26Å; I193-F195 PolarHBondContact O-N 3.3Å; I193-A197 HydrophobicContact CD1-CB 3.83Å; I193-A197 HydrophobicContact CG1-CB 4.19Å; I193-A197 WeakPolarHBondContact O-CB 3.32Å; I193-A197 PolarHBondContact O-N 3.33Å; I193-K203 HydrophobicContact CD1-CB 3.96Å; I193-K203 HydrophobicContact CD1-CG 3.88Å; I193-I205 HydrophobicContact CB-CD1 3.62Å; I193-I205 HydrophobicContact CD1-CD1 4.1Å; I193-I205 HydrophobicContact CG1-CD1 4.4Å |
| 194 | S | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60 | -34.3 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | P40 D190 Q191 S192 G451 A452 | P40-S194 WeakPolarHBondContact CD-O 3.28Å; P40-S194 PolarHBondContact O-OG 3.07Å; D190-S194 VanDerWaalsContact O-CB 3.28Å; D190-S194 WeakPolarHBondContact O-CB 3.18Å; D190-S194 PolarHBondContact O-N 2.59Å; Q191-S194 PolarHBondContact O-N 3.42Å; S192-S194 VanDerWaalsContact C-N 3.3Å; S192-S194 PolarHBondContact O-N 3.46Å; S194-G451 CarbonylContact O-C 3.6Å; S194-G451 WeakPolarHBondContact O-CA 3.17Å; S194-A452 WeakPolarHBondContact O-CB 3.28Å; S194-A452 PolarHBondContact O-N 3.28Å |
| 195 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -94 | -36.3 | 177.1 | -76.6 | -69.2 | 0 | 0 | 0 | 114 | P5 C152 L156 K168 L171 A172 C175 Q191 S192 I193 A452 | P5-F195 HydrophobicContact CG-CD1 4.48Å; C152-F195 HydrophobicContact CB-CD2 4.32Å; C152-F195 HydrophobicContact CB-CE2 3.56Å; C152-F195 HydrophobicContact CB-CZ 3.7Å; C152-F195 WeakPolarHBondContact O-CZ 3.49Å; C152-F195 WeakPolarHBondContact SG-CE2 3.44Å; L156-F195 HydrophobicContact CB-CE1 4.27Å; K168-F195 HydrophobicContact CB-CB 4.17Å; K168-F195 WeakPolarHBondContact CD-O 3.08Å; L171-F195 HydrophobicContact CB-CD1 4.1Å; L171-F195 HydrophobicContact CB-CD2 4.02Å; L171-F195 HydrophobicContact CB-CE1 3.85Å; L171-F195 HydrophobicContact CB-CE2 3.71Å; L171-F195 HydrophobicContact CB-CG 4.21Å; L171-F195 HydrophobicContact CB-CZ 3.64Å; L171-F195 HydrophobicContact CD1-CD1 4.27Å; L171-F195 HydrophobicContact CD1-CE1 3.84Å; L171-F195 HydrophobicContact CD1-CZ 4.3Å; L171-F195 HydrophobicContact CD2-CZ 4.36Å; L171-F195 HydrophobicContact CG-CE1 4.34Å; L171-F195 HydrophobicContact CG-CZ 4.32Å; A172-F195 HydrophobicContact CB-CB 4.43Å; A172-F195 HydrophobicContact CB-CD2 4.03Å; C175-F195 HydrophobicContact CB-CE2 4.35Å; Q191-F195 WeakPolarHBondContact O-CD2 3.37Å; Q191-F195 PolarHBondContact O-N 3.01Å; S192-F195 PolarHBondContact O-N 3.4Å; I193-F195 VanDerWaalsContact C-N 3.26Å; I193-F195 PolarHBondContact O-N 3.3Å; F195-A452 HydrophobicContact CD1-CB 3.7Å; F195-A452 HydrophobicContact CE1-CB 3.83Å |
| 196 | L | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -96.9 | -4.8 | -168.8 | -57.5 | 171.6 | 0 | 0 | 0 | 113.9 | K168 V169 S192 K203 L210 A212 | K168-L196 HydrophobicContact CB-CD2 3.63Å; K168-L196 HydrophobicContact CD-CD2 4.46Å; V169-L196 HydrophobicContact CG2-CD2 3.96Å; S192-L196 WeakPolarHBondContact O-CB 3.34Å; S192-L196 VanDerWaalsContact O-CG 3.27Å; S192-L196 WeakPolarHBondContact O-CG 3.46Å; S192-L196 PolarHBondContact O-N 3.38Å; L196-K203 WeakPolarHBondContact O-CE 3.06Å; L196-L210 HydrophobicContact CD1-CD1 4.29Å; L196-L210 HydrophobicContact CD1-CD2 4.3Å; L196-L210 HydrophobicContact CD1-CG 4.23Å; L196-A212 HydrophobicContact CB-CB 3.8Å; L196-A212 HydrophobicContact CD1-CB 3.88Å; L196-A212 HydrophobicContact CG-CB 4.4Å |
| 197 | A | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | trans | -62.1 | 147.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A61 I193 G451 | A61-A197 HydrophobicContact CB-CB 3.37Å; I193-A197 HydrophobicContact CD1-CB 3.83Å; I193-A197 HydrophobicContact CG1-CB 4.19Å; I193-A197 WeakPolarHBondContact O-CB 3.32Å; I193-A197 PolarHBondContact O-N 3.33Å; A197-G451 PolarHBondContact O-N 3.47Å | ||
| 198 | E | 97.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 28.2 Ų | 28.2 | 41% | 0.411 | 15% | 0.146 | S | C | . | . | B | Isolated β-bridge | trans | -133.7 | 139.6 | 175.1 | -68.9 | 177.7 | 162.7 | 0 | 0 | 108.8 | G200 T201 K203 A449 | E198-G200 PolarHBondContact O-N 3.48Å; E198-T201 HydrophobicContact CB-CG2 3.87Å; E198-T201 WeakPolarHBondContact O-CG2 3.37Å; E198-T201 PolarHBondContact O-N 3.12Å; E198-K203 IonicContact OE2-NZ 2.76Å; E198-K203 PolarHBondContact OE2-NZ 3.34Å; E198-A449 CarbonylContact C-O 3.43Å |
| 199 | K | 96.8 | Very high | 97.4 | Very high | 184 Ų | 184 | 32 Ų | 32 | 80% | 0.8 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 130 | -175.5 | -173.7 | 178.4 | -178.7 | 177.6 | 0 | 109.9 | P448 | K199-P448 WeakPolarHBondContact CA-O 3.2Š|
| 200 | G | 96.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 50% | 0.495 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -6.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | E198 P448 | E198-G200 PolarHBondContact O-N 3.48Å; G200-P448 PolarHBondContact N-O 3.48Å |
| 201 | T | 97.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -133.6 | 139.2 | -178.5 | -174.8 | 0 | 0 | 0 | 0 | 112 | E198 K203 D214 V215 P448 | E198-T201 HydrophobicContact CB-CG2 3.87Å; E198-T201 WeakPolarHBondContact O-CG2 3.37Å; E198-T201 PolarHBondContact O-N 3.12Å; T201-K203 HydrophobicContact CG2-CD 4.33Å; T201-K203 VanDerWaalsContact CG2-NZ 3.32Å; T201-D214 WeakPolarHBondContact CG2-OD2 3.1Å; T201-D214 PolarHBondContact OG1-OD2 3.33Å; T201-V215 PolarHBondContact OG1-N 3.05Å; T201-P448 VanDerWaalsContact C-CB 3.49Å; T201-P448 VanDerWaalsContact O-CB 3.24Å; T201-P448 WeakPolarHBondContact O-CB 3.32Å |
| 202 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 167.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.6 | L45 L58 M60 V215 L217 | L45-A202 HydrophobicContact CD1-CB 4.09Å; L58-A202 HydrophobicContact CD2-CB 3.99Å; M60-A202 HydrophobicContact CB-CB 4.06Å; A202-V215 HydrophobicContact CB-CB 4.35Å; A202-V215 PolarHBondContact N-O 2.95Å; A202-V215 VanDerWaalsContact N-O 3.15Å; A202-V215 PolarHBondContact O-N 3.26Å; A202-L217 HydrophobicContact CB-CD1 4.11Å; A202-L217 HydrophobicContact CB-CD2 4.02Å; A202-L217 HydrophobicContact CB-CG 4.07Å |
| 203 | K | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.4 | 178.5 | -57 | -64.7 | -170.1 | -171.2 | 0 | 110.6 | L58 P59 I193 L196 E198 T201 I205 A212 T213 D214 | L58-K203 WeakPolarHBondContact CA-O 3.46Å; P59-K203 VanDerWaalsContact CD-O 3.31Å; P59-K203 WeakPolarHBondContact CD-O 3.29Å; P59-K203 PolarHBondContact O-N 2.88Å; I193-K203 HydrophobicContact CD1-CB 3.96Å; I193-K203 HydrophobicContact CD1-CG 3.88Å; L196-K203 WeakPolarHBondContact O-CE 3.06Å; E198-K203 IonicContact OE2-NZ 2.76Å; E198-K203 PolarHBondContact OE2-NZ 3.34Å; T201-K203 HydrophobicContact CG2-CD 4.33Å; T201-K203 VanDerWaalsContact CG2-NZ 3.32Å; K203-I205 HydrophobicContact CB-CG1 4.12Å; K203-I205 PolarHBondContact O-N 3.39Å; K203-A212 HydrophobicContact CB-CB 4.25Å; K203-A212 HydrophobicContact CD-CB 4.39Å; K203-A212 HydrophobicContact CG-CB 4.33Å; K203-T213 CarbonylContact C-O 3.58Å; K203-T213 VanDerWaalsContact CA-O 3.29Å; K203-T213 WeakPolarHBondContact CA-O 3.36Å; K203-D214 IonicContact NZ-OD1 2.74Å; K203-D214 PolarHBondContact NZ-OD1 2.9Å; K203-D214 IonicContact NZ-OD2 2.75Å; K203-D214 PolarHBondContact NZ-OD2 3.48Å |
| 204 | L | 98.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 113.9 | 155 | -179.9 | 77.8 | 0 | 0 | 0 | 107 | V57 E206 A212 T213 V215 V342 K346 | V57-L204 CarbonylContact O-C 3.48Å; V57-L204 WeakPolarHBondContact O-CA 3.18Å; L204-E206 HydrophobicContact CD2-CG 4.16Å; L204-E206 HydrophobicContact CG-CG 4.36Å; L204-A212 WeakPolarHBondContact O-CA 3.49Å; L204-T213 PolarHBondContact N-O 3.2Å; L204-T213 PolarHBondContact O-N 2.86Å; L204-V215 HydrophobicContact CB-CG2 3.96Å; L204-V342 HydrophobicContact CD1-CG1 3.58Å; L204-K346 HydrophobicContact CB-CD 4.23Å; L204-K346 HydrophobicContact CD2-CD 3.68Å; L204-K346 HydrophobicContact CG-CD 4.33Å |
| 205 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.7 | 176.5 | -58.9 | -172.7 | 0 | 0 | 0 | 109.1 | S56 V57 P59 I193 K203 F207 L210 R211 | S56-I205 CarbonylContact C-O 3.59Å; S56-I205 WeakPolarHBondContact CA-O 3.43Å; S56-I205 VanDerWaalsContact CB-O 3.28Å; S56-I205 WeakPolarHBondContact CB-O 3.43Å; V57-I205 HydrophobicContact CG2-CB 4.01Å; V57-I205 PolarHBondContact N-O 3.49Å; V57-I205 PolarHBondContact O-N 2.66Å; P59-I205 HydrophobicContact CG-CD1 3.63Å; P59-I205 HydrophobicContact CG-CG1 4.09Å; I193-I205 HydrophobicContact CB-CD1 3.62Å; I193-I205 HydrophobicContact CD1-CD1 4.1Å; I193-I205 HydrophobicContact CG1-CD1 4.4Å; K203-I205 HydrophobicContact CB-CG1 4.12Å; K203-I205 PolarHBondContact O-N 3.39Å; I205-F207 HydrophobicContact CB-CZ 4.44Å; I205-F207 HydrophobicContact CG2-CD1 4.31Å; I205-F207 HydrophobicContact CG2-CE1 3.63Å; I205-F207 HydrophobicContact CG2-CE2 4.44Å; I205-F207 HydrophobicContact CG2-CZ 3.71Å; I205-L210 HydrophobicContact CG2-CD1 3.82Å; I205-R211 CarbonylContact C-O 3.51Å; I205-R211 VanDerWaalsContact CA-O 3.32Å; I205-R211 WeakPolarHBondContact CA-O 3.48Å |
| 206 | E | 98.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151 | 177.5 | -50.3 | 172.5 | 86.1 | 0 | 0 | 108.6 | S56 L204 L210 R211 | S56-E206 WeakPolarHBondContact OG-CG 3.29Å; L204-E206 HydrophobicContact CD2-CG 4.16Å; L204-E206 HydrophobicContact CG-CG 4.36Å; E206-L210 CarbonylContact O-C 3.35Å; E206-L210 WeakPolarHBondContact O-CA 3.28Å; E206-L210 VanDerWaalsContact O-CD1 3.3Å; E206-L210 WeakPolarHBondContact O-CD1 3.44Å; E206-R211 HydrophobicContact CB-CB 4.32Å; E206-R211 VanDerWaalsContact CD-NH2 3.27Å; E206-R211 PolarHBondContact N-O 3.42Å; E206-R211 PolarHBondContact O-N 3.25Å; E206-R211 IonicContact OE1-CZ 3.36Å; E206-R211 IonicContact OE1-NE 2.72Å; E206-R211 IonicContact OE1-NH2 3.63Å; E206-R211 PolarHBondContact OE1-NH2 3.14Å; E206-R211 WeakPolarHBondContact OE2-CB 3.26Å; E206-R211 IonicContact OE2-CZ 3.77Å; E206-R211 IonicContact OE2-NE 2.76Å; E206-R211 PolarHBondContact OE2-NE 2.84Å; E206-R211 IonicContact OE2-NH2 3.83Å; E206-R211 PolarHBondContact OE2-NH2 3.43Å |
| 207 | F | 95.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -3.7 | -168.2 | -60.8 | -72.7 | 0 | 0 | 0 | 115.8 | D51 Y55 V57 G188 M189 I205 P209 L210 | D51-F207 HydrophobicContact CB-CD2 4.47Å; D51-F207 HydrophobicContact CB-CE2 3.58Å; D51-F207 HydrophobicContact CB-CZ 3.69Å; Y55-F207 VanDerWaalsContact O-CD2 3.23Å; Y55-F207 WeakPolarHBondContact O-CD2 3.5Å; Y55-F207 WeakPolarHBondContact O-CE2 3.29Å; V57-F207 HydrophobicContact CG1-CE2 4.43Å; V57-F207 HydrophobicContact CG2-CE2 3.91Å; V57-F207 HydrophobicContact CG2-CZ 3.77Å; G188-F207 VanDerWaalsContact C-CE1 3.49Å; M189-F207 HydrophobicContact CB-CZ 4.21Å; I205-F207 HydrophobicContact CB-CZ 4.44Å; I205-F207 HydrophobicContact CG2-CD1 4.31Å; I205-F207 HydrophobicContact CG2-CE1 3.63Å; I205-F207 HydrophobicContact CG2-CE2 4.44Å; I205-F207 HydrophobicContact CG2-CZ 3.71Å; F207-P209 VanDerWaalsContact C-C 3.45Å; F207-P209 CarbonylContact C-O 3.6Å; F207-L210 HydrophobicContact CD1-CD1 4.26Å |
| 208 | Q | 87.1 | Confident | 96.7 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.6 | 79.4 | -176 | -66.3 | -175.6 | -11.7 | 0 | 0 | 111.8 | ||
| 209 | P | 94.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -77.5 | 170.1 | -1.7 | 33.4 | -35.9 | 0 | 0 | 0 | 112.9 | F207 R211 | F207-P209 VanDerWaalsContact C-C 3.45Å; F207-P209 CarbonylContact C-O 3.6Å; P209-R211 HydrophobicContact CG-CG 4.24Å; P209-R211 PolarHBondContact O-N 3.38Å |
| 210 | L | 96.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 116.8 | 173.5 | 179.5 | 55.9 | 0 | 0 | 0 | 110.7 | V169 A172 E173 S192 L196 I205 E206 F207 | V169-L210 HydrophobicContact CG1-CB 4.17Å; V169-L210 HydrophobicContact CG1-CD2 4.07Å; V169-L210 HydrophobicContact CG1-CG 4.29Å; A172-L210 HydrophobicContact CB-CD2 3.79Å; E173-L210 HydrophobicContact CG-CB 4.44Å; E173-L210 HydrophobicContact CG-CD2 3.8Å; S192-L210 WeakPolarHBondContact OG-CD1 3.43Å; L196-L210 HydrophobicContact CD1-CD1 4.29Å; L196-L210 HydrophobicContact CD1-CD2 4.3Å; L196-L210 HydrophobicContact CD1-CG 4.23Å; I205-L210 HydrophobicContact CG2-CD1 3.82Å; E206-L210 CarbonylContact O-C 3.35Å; E206-L210 WeakPolarHBondContact O-CA 3.28Å; E206-L210 VanDerWaalsContact O-CD1 3.3Å; E206-L210 WeakPolarHBondContact O-CD1 3.44Å; F207-L210 HydrophobicContact CD1-CD1 4.26Å |
| 211 | R | 96.8 | Very high | 96.1 | Very high | 124 Ų | 124 | 46.7 Ų | 46.7 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.8 | 176.1 | -61.5 | -172.2 | -62 | -148 | -4 | 110.4 | I205 E206 P209 | I205-R211 CarbonylContact C-O 3.51Å; I205-R211 VanDerWaalsContact CA-O 3.32Å; I205-R211 WeakPolarHBondContact CA-O 3.48Å; E206-R211 HydrophobicContact CB-CB 4.32Å; E206-R211 VanDerWaalsContact CD-NH2 3.27Å; E206-R211 PolarHBondContact N-O 3.42Å; E206-R211 PolarHBondContact O-N 3.25Å; E206-R211 IonicContact OE1-CZ 3.36Å; E206-R211 IonicContact OE1-NE 2.72Å; E206-R211 IonicContact OE1-NH2 3.63Å; E206-R211 PolarHBondContact OE1-NH2 3.14Å; E206-R211 WeakPolarHBondContact OE2-CB 3.26Å; E206-R211 IonicContact OE2-CZ 3.77Å; E206-R211 IonicContact OE2-NE 2.76Å; E206-R211 PolarHBondContact OE2-NE 2.84Å; E206-R211 IonicContact OE2-NH2 3.83Å; E206-R211 PolarHBondContact OE2-NH2 3.43Å; P209-R211 HydrophobicContact CG-CG 4.24Å; P209-R211 PolarHBondContact O-N 3.38Å |
| 212 | A | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 28% | 0.281 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L196 K203 L204 | L196-A212 HydrophobicContact CB-CB 3.8Å; L196-A212 HydrophobicContact CD1-CB 3.88Å; L196-A212 HydrophobicContact CG-CB 4.4Å; K203-A212 HydrophobicContact CB-CB 4.25Å; K203-A212 HydrophobicContact CD-CB 4.39Å; K203-A212 HydrophobicContact CG-CB 4.33Å; L204-A212 WeakPolarHBondContact O-CA 3.49Å |
| 213 | T | 98.3 | Very high | 96 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.8 | 178.9 | -58.7 | 0 | 0 | 0 | 0 | 109.4 | K203 L204 | K203-T213 CarbonylContact C-O 3.58Å; K203-T213 VanDerWaalsContact CA-O 3.29Å; K203-T213 WeakPolarHBondContact CA-O 3.36Å; L204-T213 PolarHBondContact N-O 3.2Å; L204-T213 PolarHBondContact O-N 2.86Å |
| 214 | D | 98.3 | Very high | 96 | Very high | 70 Ų | 70 | 47.6 Ų | 47.6 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 137.4 | 178 | -71.2 | 39.4 | 0 | 0 | 0 | 112.3 | T201 K203 | T201-D214 WeakPolarHBondContact CG2-OD2 3.1Å; T201-D214 PolarHBondContact OG1-OD2 3.33Å; K203-D214 IonicContact NZ-OD1 2.74Å; K203-D214 PolarHBondContact NZ-OD1 2.9Å; K203-D214 IonicContact NZ-OD2 2.75Å; K203-D214 PolarHBondContact NZ-OD2 3.48Å |
| 215 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 108.6 | 170.1 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | L58 T201 A202 L204 L217 K346 C349 | L58-V215 HydrophobicContact CD1-CG1 4.27Å; L58-V215 HydrophobicContact CD1-CG2 4.3Å; L58-V215 HydrophobicContact CD2-CB 4.4Å; L58-V215 HydrophobicContact CD2-CG1 4.33Å; L58-V215 HydrophobicContact CG-CG2 4.33Å; T201-V215 PolarHBondContact OG1-N 3.05Å; A202-V215 HydrophobicContact CB-CB 4.35Å; A202-V215 PolarHBondContact N-O 2.95Å; A202-V215 VanDerWaalsContact N-O 3.15Å; A202-V215 PolarHBondContact O-N 3.26Å; L204-V215 HydrophobicContact CB-CG2 3.96Å; V215-L217 PolarHBondContact O-N 3.02Å; V215-K346 HydrophobicContact CG2-CD 4.48Å; V215-K346 HydrophobicContact CG2-CG 4.15Å; V215-C349 HydrophobicContact CG1-CB 3.67Å |
| 216 | Q | 97.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 119.9 | 174.2 | -61.7 | -59.4 | -10.9 | 0 | 0 | 109.1 | C349 | Q216-C349 WeakPolarHBondContact O-CB 3.12Š|
| 217 | L | 96.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 145.9 | 177.2 | -59.4 | 171.1 | 0 | 0 | 0 | 108.9 | L45 M60 A202 V215 D219 F223 F345 P448 | L45-L217 HydrophobicContact CD1-CD1 4.1Å; L45-L217 HydrophobicContact CD1-CD2 3.61Å; L45-L217 HydrophobicContact CD1-CG 4.5Å; M60-L217 HydrophobicContact SD-CD1 3.96Å; A202-L217 HydrophobicContact CB-CD1 4.11Å; A202-L217 HydrophobicContact CB-CD2 4.02Å; A202-L217 HydrophobicContact CB-CG 4.07Å; V215-L217 PolarHBondContact O-N 3.02Å; L217-D219 PolarHBondContact O-N 3.43Å; L217-F223 HydrophobicContact CB-CE2 4.32Å; L217-F223 HydrophobicContact CD1-CD2 4.11Å; L217-F223 HydrophobicContact CD1-CE2 3.63Å; L217-F223 HydrophobicContact CD1-CZ 4.38Å; L217-F223 HydrophobicContact CD2-CE2 4.24Å; L217-F223 HydrophobicContact CD2-CZ 4.27Å; L217-F223 HydrophobicContact CG-CE2 4.27Å; L217-F345 HydrophobicContact CD2-CE1 4.36Å; L217-P448 HydrophobicContact CD1-CG 4Å |
| 218 | P | 93.2 | Very high | 96 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 140 | -177 | -24.2 | 33.4 | 0 | 0 | 0 | 112.8 | G220 A221 I357 L360 | P218-G220 PolarHBondContact O-N 2.96Å; P218-A221 VanDerWaalsContact O-CB 3.23Å; P218-A221 WeakPolarHBondContact O-CB 3.5Å; P218-A221 PolarHBondContact O-N 3.36Å; P218-A221 VanDerWaalsContact O-N 3.08Å; P218-I357 HydrophobicContact CB-CG1 3.97Å; P218-I357 HydrophobicContact CG-CG1 4.48Å; P218-L360 HydrophobicContact CG-CD1 3.48Å; P218-L360 VanDerWaalsContact CG-CD1 3.48Å |
| 219 | D | 91.6 | Very high | 96.3 | Very high | 162 Ų | 162 | 40.7 Ų | 40.7 | 87% | 0.866 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 140.1 | 172.8 | -73.7 | -31.3 | 0 | 0 | 0 | 111.1 | L217 A221 | L217-D219 PolarHBondContact O-N 3.43Å; D219-A221 PolarHBondContact O-N 3.48Å |
| 220 | G | 91.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -5.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P218 T413 S414 | P218-G220 PolarHBondContact O-N 2.96Å; G220-T413 CarbonylContact O-C 3.57Å; G220-T413 WeakPolarHBondContact O-CA 3.47Å; G220-S414 PolarHBondContact O-N 2.91Å |
| 221 | A | 94.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P218 D219 F223 I357 M411 | P218-A221 VanDerWaalsContact O-CB 3.23Å; P218-A221 WeakPolarHBondContact O-CB 3.5Å; P218-A221 PolarHBondContact O-N 3.36Å; P218-A221 VanDerWaalsContact O-N 3.08Å; D219-A221 PolarHBondContact O-N 3.48Å; A221-F223 HydrophobicContact CB-CE2 4.3Å; A221-I357 HydrophobicContact CB-CD1 4.23Å; A221-I357 HydrophobicContact CB-CG1 4.34Å; A221-M411 HydrophobicContact CB-CG 4.25Å; A221-M411 HydrophobicContact CB-SD 4.15Å |
| 222 | V | 96.6 | Very high | 95.7 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.8 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | V224 V412 A417 V445 | V222-V224 HydrophobicContact CG1-CG2 4.29Å; V222-V412 PolarHBondContact N-O 2.86Å; V222-V412 PolarHBondContact O-N 3.09Å; V222-A417 HydrophobicContact CB-CB 4.43Å; V222-A417 HydrophobicContact CG1-CB 4.19Å; V222-A417 HydrophobicContact CG2-CB 4.48Å; V222-V445 HydrophobicContact CG1-CB 4.45Å; V222-V445 HydrophobicContact CG1-CG1 3.5Å; V222-V445 HydrophobicContact CG1-CG2 4.15Å |
| 223 | F | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.8 | 175.7 | -67.5 | -88.2 | 0 | 0 | 0 | 109.7 | L45 M60 L217 A221 M364 V409 S410 M411 T446 | L45-F223 HydrophobicContact CD1-CE1 4.4Å; L45-F223 HydrophobicContact CD1-CZ 4.26Å; L45-F223 HydrophobicContact CD2-CD1 3.69Å; L45-F223 HydrophobicContact CD2-CE1 3.76Å; L45-F223 HydrophobicContact CD2-CG 4.21Å; L45-F223 HydrophobicContact CD2-CZ 4.35Å; M60-F223 HydrophobicContact CE-CB 3.94Å; M60-F223 HydrophobicContact CE-CD2 4.32Å; M60-F223 HydrophobicContact CE-CG 4.18Å; L217-F223 HydrophobicContact CB-CE2 4.32Å; L217-F223 HydrophobicContact CD1-CD2 4.11Å; L217-F223 HydrophobicContact CD1-CE2 3.63Å; L217-F223 HydrophobicContact CD1-CZ 4.38Å; L217-F223 HydrophobicContact CD2-CE2 4.24Å; L217-F223 HydrophobicContact CD2-CZ 4.27Å; L217-F223 HydrophobicContact CG-CE2 4.27Å; A221-F223 HydrophobicContact CB-CE2 4.3Å; F223-M364 HydrophobicContact CE1-CE 4.49Å; F223-M364 HydrophobicContact CE1-SD 4.37Å; F223-V409 HydrophobicContact CB-CG2 4.44Å; F223-V409 HydrophobicContact CD1-CG2 3.89Å; F223-S410 CarbonylContact C-O 3.59Å; F223-S410 WeakPolarHBondContact CA-O 3.44Å; F223-M411 HydrophobicContact CD1-CB 4.22Å; F223-M411 HydrophobicContact CE1-CB 3.9Å; F223-M411 HydrophobicContact CE1-CG 4.01Å; F223-M411 HydrophobicContact CE1-SD 4.13Å; F223-M411 HydrophobicContact CZ-CB 4.47Å; F223-M411 HydrophobicContact CZ-CG 4.08Å; F223-M411 HydrophobicContact CZ-SD 3.85Å; F223-T446 HydrophobicContact CB-CG2 4.03Å; F223-T446 PolarHBondContact O-N 3.22Å |
| 224 | V | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.1 | 179 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | V222 S410 V412 F420 L421 L443 F444 V445 | V222-V224 HydrophobicContact CG1-CG2 4.29Å; V224-S410 PolarHBondContact N-O 3.49Å; V224-S410 PolarHBondContact O-N 3.28Å; V224-V412 HydrophobicContact CG2-CG2 3.9Å; V224-F420 HydrophobicContact CB-CD1 4.3Å; V224-F420 HydrophobicContact CB-CE1 3.72Å; V224-F420 HydrophobicContact CG1-CD1 4.25Å; V224-F420 HydrophobicContact CG1-CE1 3.69Å; V224-F420 HydrophobicContact CG2-CD1 4.01Å; V224-F420 HydrophobicContact CG2-CE1 3.93Å; V224-L421 HydrophobicContact CG1-CD2 3.68Å; V224-L443 HydrophobicContact CG1-CD1 3.9Å; V224-F444 WeakPolarHBondContact CA-O 3.44Å; V224-F444 WeakPolarHBondContact CG1-O 3.49Å; V224-V445 HydrophobicContact CG2-CG2 4.16Å |
| 225 | I | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.9 | 174.5 | -53.9 | -56.4 | 0 | 0 | 0 | 108.6 | V43 L144 C407 A408 V409 L443 F444 T446 | V43-I225 HydrophobicContact CB-CD1 3.83Å; V43-I225 HydrophobicContact CG1-CD1 4.33Å; V43-I225 HydrophobicContact CG2-CD1 3.52Å; L144-I225 HydrophobicContact CD1-CG2 4.02Å; L144-I225 HydrophobicContact CD2-CG2 3.99Å; I225-C407 HydrophobicContact CG2-CB 3.89Å; I225-A408 WeakPolarHBondContact CA-O 3.26Å; I225-V409 HydrophobicContact CD1-CB 4.05Å; I225-V409 HydrophobicContact CD1-CG2 4.02Å; I225-L443 WeakPolarHBondContact O-CA 3.18Å; I225-F444 HydrophobicContact CB-CD1 4.41Å; I225-F444 HydrophobicContact CB-CD2 4.23Å; I225-F444 HydrophobicContact CB-CE1 3.97Å; I225-F444 HydrophobicContact CB-CE2 3.78Å; I225-F444 HydrophobicContact CB-CZ 3.63Å; I225-F444 HydrophobicContact CG1-CD2 4.35Å; I225-F444 HydrophobicContact CG1-CE2 3.71Å; I225-F444 HydrophobicContact CG1-CZ 3.93Å; I225-F444 HydrophobicContact CG2-CE1 3.96Å; I225-F444 HydrophobicContact CG2-CE2 4.37Å; I225-F444 HydrophobicContact CG2-CZ 3.73Å; I225-F444 PolarHBondContact N-O 3.31Å; I225-F444 PolarHBondContact O-N 2.96Å; I225-T446 HydrophobicContact CD1-CG2 4.01Å; I225-T446 HydrophobicContact CG1-CG2 3.77Å |
| 226 | S | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 111.7 | 179.9 | -33.9 | 0 | 0 | 0 | 0 | 109 | L385 C407 A408 S442 | S226-L385 WeakPolarHBondContact O-CD2 3.41Å; S226-C407 CarbonylContact O-C 3.51Å; S226-C407 WeakPolarHBondContact O-CA 3.36Å; S226-A408 PolarHBondContact N-O 3.02Å; S226-A408 PolarHBondContact O-N 3.43Å; S226-S442 CarbonylContact C-O 3.56Å; S226-S442 VanDerWaalsContact CA-O 3.25Å; S226-S442 WeakPolarHBondContact CA-O 3.47Å |
| 227 | N | 97.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126 | 177 | -169.8 | -11.5 | 0 | 0 | 0 | 110.2 | C229 G406 C407 Y429 S442 | N227-C229 PolarHBondContact O-N 3.01Å; N227-C229 PolarHBondContact OD1-N 3.47Å; N227-G406 PolarHBondContact OD1-O 3.29Å; N227-C407 VanDerWaalsContact CB-SG 3.55Å; N227-Y429 PolarHBondContact N-OH 2.84Å; N227-Y429 VanDerWaalsContact N-OH 3.07Å; N227-Y429 WeakPolarHBondContact O-CE1 3.4Å; N227-Y429 PolarHBondContact O-OH 2.61Å; N227-S442 PolarHBondContact N-O 2.98Å |
| 228 | C | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -71.8 | -7.9 | 176.1 | 80.2 | 0 | 0 | 0 | 0 | 113 | V230 E381 L382 L385 G406 Y428 | C228-V230 PolarHBondContact O-N 3.42Å; C228-E381 HydrophobicContact CB-CB 4.03Å; C228-L382 HydrophobicContact CB-CD2 4.16Å; C228-L382 HydrophobicContact CB-CG 4.33Å; C228-L385 HydrophobicContact CB-CD2 3.86Å; C228-G406 WeakPolarHBondContact CB-O 3.26Å; C228-G406 PolarHBondContact N-O 2.65Å; C228-G406 PolarHBondContact SG-N 3.38Å; C228-G406 PolarHBondContact SG-O 2.86Å; C228-Y428 WeakPolarHBondContact CA-OH 3.36Å; C228-Y428 WeakPolarHBondContact CB-OH 3.38Å; C228-Y428 PolarHBondContact O-OH 2.76Å | ||
| 229 | C | 94.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 68.8 | 17.4 | 179.2 | -54.7 | 0 | 0 | 0 | 0 | 114.3 | N227 R435 M438 | N227-C229 PolarHBondContact O-N 3.01Å; N227-C229 PolarHBondContact OD1-N 3.47Å; C229-R435 HydrophobicContact CB-CG 4.2Å; C229-M438 HydrophobicContact CB-CE 3.61Å |
| 230 | V | 94.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 26% | 0.255 | 20% | 0.195 | S | C | . | . | trans | -99.2 | 117.5 | 166.6 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | C228 E381 G405 G406 | C228-V230 PolarHBondContact O-N 3.42Å; V230-E381 HydrophobicContact CG2-CB 3.85Å; V230-E381 HydrophobicContact CG2-CG 3.59Å; V230-G405 CarbonylContact O-C 3.42Å; V230-G406 PolarHBondContact O-N 2.86Å | ||
| 231 | E | 92 | Very high | 92.1 | Very high | 141 Ų | 141 | 31.2 Ų | 31.2 | 66% | 0.659 | 18% | 0.178 | S | C | * | . | trans | -80.6 | 134.5 | 177.1 | -67.5 | -173.4 | -177.8 | 0 | 0 | 111.1 | ||||
| 232 | M | 89.2 | Confident | 92.2 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 16% | 0.163 | 18% | 0.176 | C | C | . | . | trans | -125.8 | 105.6 | 171.7 | 179.5 | 52.6 | 70.7 | 0 | 0 | 110.5 | S141 K234 W404 | S141-M232 PolarHBondContact O-N 3.44Å; M232-K234 PolarHBondContact O-N 3.14Å; M232-W404 HydrophobicContact CE-CB 3.48Å; M232-W404 VanDerWaalsContact CE-CB 3.48Å; M232-W404 HydrophobicContact CE-CG 4.42Å; M232-W404 WeakPolarHBondContact CE-O 3.21Å; M232-W404 HydrophobicContact CG-CB 4.09Å; M232-W404 HydrophobicContact SD-CB 4.46Å | ||
| 233 | N | 86.1 | Confident | 92.3 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 31% | 0.305 | 17% | 0.172 | S | C | . | . | trans | -84.6 | 110.5 | 171.1 | -174.2 | -15.3 | 0 | 0 | 0 | 110.1 | A235 A236 S237 | N233-A235 PolarHBondContact O-N 3.42Å; N233-A235 PolarHBondContact OD1-N 2.94Å; N233-A236 HydrophobicContact CB-CB 3.99Å; N233-A236 PolarHBondContact O-N 3.16Å; N233-A236 PolarHBondContact OD1-N 2.96Å; N233-S237 PolarHBondContact O-N 3.34Å; N233-S237 PolarHBondContact O-OG 3.41Å | ||
| 234 | K | 82.6 | Confident | 92.3 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -67.3 | -35.1 | -177.2 | -59.8 | 88.2 | 175.3 | 174.6 | 0 | 112.4 | T184 M232 A236 S237 Y240 A402 | T184-K234 HydrophobicContact CG2-CB 3.99Å; M232-K234 PolarHBondContact O-N 3.14Å; K234-A236 VanDerWaalsContact C-N 3.29Å; K234-S237 VanDerWaalsContact O-O 3.07Å; K234-Y240 HydrophobicContact CG-CD2 4.49Å; K234-A402 HydrophobicContact CD-CB 4.4Å; K234-A402 HydrophobicContact CG-CB 3.94Å |
| 235 | A | 78.9 | Confident | 92.3 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -24.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P105 Y110 I182 T184 N233 | P105-A235 HydrophobicContact CB-CB 4.14Å; P105-A235 HydrophobicContact CG-CB 4.26Å; Y110-A235 VanDerWaalsContact OH-CB 3.26Å; Y110-A235 WeakPolarHBondContact OH-CB 3.4Å; I182-A235 HydrophobicContact CG1-CB 4.13Å; I182-A235 HydrophobicContact CG2-CB 4.13Å; T184-A235 HydrophobicContact CG2-CB 3.97Å; N233-A235 PolarHBondContact O-N 3.42Å; N233-A235 PolarHBondContact OD1-N 2.94Å |
| 236 | A | 77.6 | Confident | 92.3 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 60% | 0.595 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | N233 K234 | N233-A236 HydrophobicContact CB-CB 3.99Å; N233-A236 PolarHBondContact O-N 3.16Å; N233-A236 PolarHBondContact OD1-N 2.96Å; K234-A236 VanDerWaalsContact C-N 3.29Å |
| 237 | S | 84.6 | Confident | 92.3 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | trans | -131.1 | 155.2 | -179.5 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | N233 K234 | N233-S237 PolarHBondContact O-N 3.34Å; N233-S237 PolarHBondContact O-OG 3.41Å; K234-S237 VanDerWaalsContact O-O 3.07Å | ||
| 238 | S | 90.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -85.4 | -16.6 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | Y240 N241 I242 N319 | S238-Y240 VanDerWaalsContact C-N 3.29Å; S238-Y240 PolarHBondContact O-N 3.08Å; S238-Y240 VanDerWaalsContact O-N 3.12Å; S238-N241 PolarHBondContact O-N 3.06Å; S238-I242 VanDerWaalsContact O-CG1 3.25Å; S238-I242 WeakPolarHBondContact O-CG1 3.3Å; S238-I242 PolarHBondContact O-N 2.85Å; S238-N319 VanDerWaalsContact CB-O 3.28Å; S238-N319 WeakPolarHBondContact CB-O 3.41Å |
| 239 | H | 93.4 | Very high | 92.5 | Very high | 83 Ų | 83 | 32.6 Ų | 32.6 | 38% | 0.384 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -48.6 | -46.6 | -172.8 | -64.8 | -53.5 | 0 | 0 | 0 | 113.7 | R243 W404 | H239-R243 WeakPolarHBondContact O-CG 3.46Å; H239-R243 PolarHBondContact O-N 3.31Å; H239-W404 HydrophobicContact CB-CD2 4.05Å; H239-W404 HydrophobicContact CB-CE3 4.25Å; H239-W404 HydrophobicContact CB-CH2 4.12Å; H239-W404 HydrophobicContact CB-CZ2 3.89Å; H239-W404 HydrophobicContact CB-CZ3 4.28Å |
| 240 | Y | 94.8 | Very high | 92.6 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 11% | 0.106 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -50 | 179.7 | -169.7 | -82.6 | 0 | 0 | 0 | 112.2 | H49 Y52 K234 S238 I242 R243 V244 A402 W404 | H49-Y240 AromaticContact CE1-CD2 3.96Å; H49-Y240 AromaticContact CE1-CE2 3.85Å; Y52-Y240 HydrophobicContact CD1-CE1 4.4Å; Y52-Y240 VanDerWaalsContact CD1-OH 3.26Å; Y52-Y240 WeakPolarHBondContact CD1-OH 3.48Å; Y52-Y240 HydrophobicContact CE1-CE1 4.29Å; Y52-Y240 HydrophobicContact CE1-CE2 4.49Å; Y52-Y240 AromaticContact CE1-CZ 3.81Å; Y52-Y240 VanDerWaalsContact CE1-OH 3.29Å; Y52-Y240 WeakPolarHBondContact CE1-OH 3.46Å; K234-Y240 HydrophobicContact CG-CD2 4.49Å; S238-Y240 VanDerWaalsContact C-N 3.29Å; S238-Y240 PolarHBondContact O-N 3.08Å; S238-Y240 VanDerWaalsContact O-N 3.12Å; Y240-I242 VanDerWaalsContact C-N 3.32Å; Y240-I242 PolarHBondContact O-N 3.47Å; Y240-R243 WeakPolarHBondContact O-CB 3.4Å; Y240-R243 PolarHBondContact O-N 3.32Å; Y240-V244 HydrophobicContact CD1-CG2 4.03Å; Y240-V244 HydrophobicContact CE1-CG2 3.73Å; Y240-V244 PolarHBondContact O-N 2.9Å; Y240-A402 HydrophobicContact CD2-CB 3.82Å; Y240-A402 HydrophobicContact CE2-CB 4.03Å; Y240-W404 HydrophobicContact CD2-CZ3 4.19Å |
| 241 | N | 96.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.1 | -31.4 | -178 | -69.8 | -2.9 | 0 | 0 | 0 | 111.9 | G183 E185 S238 R243 V244 V245 N319 T320 | G183-N241 PolarHBondContact O-ND2 3.49Å; E185-N241 PolarHBondContact N-OD1 3.24Å; S238-N241 PolarHBondContact O-N 3.06Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3Å; N241-V244 PolarHBondContact O-N 2.99Å; N241-V245 WeakPolarHBondContact O-CB 3.29Å; N241-V245 WeakPolarHBondContact O-CG2 3.41Å; N241-V245 PolarHBondContact O-N 3.48Å; N241-N319 WeakPolarHBondContact CB-OD1 3.46Å; N241-N319 PolarHBondContact ND2-ND2 3.1Å; N241-N319 VanDerWaalsContact ND2-ND2 3.12Å; N241-N319 PolarHBondContact ND2-OD1 3.39Å; N241-T320 HydrophobicContact CB-CG2 3.76Å |
| 242 | I | 97.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 172.2 | -68.1 | 170.9 | 0 | 0 | 0 | 110 | S238 Y240 V244 V245 E246 T320 V323 | S238-I242 VanDerWaalsContact O-CG1 3.25Å; S238-I242 WeakPolarHBondContact O-CG1 3.3Å; S238-I242 PolarHBondContact O-N 2.85Å; Y240-I242 VanDerWaalsContact C-N 3.32Å; Y240-I242 PolarHBondContact O-N 3.47Å; I242-V244 PolarHBondContact O-N 3.08Å; I242-V245 PolarHBondContact O-N 3.11Å; I242-E246 HydrophobicContact CG2-CG 4.33Å; I242-E246 WeakPolarHBondContact O-CG 3.49Å; I242-E246 PolarHBondContact O-N 3.3Å; I242-T320 HydrophobicContact CG1-CG2 4.05Å; I242-V323 HydrophobicContact CD1-CG2 3.85Å; I242-V323 HydrophobicContact CG1-CG2 3.76Å |
| 243 | R | 98.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 8% | 0.083 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 178.2 | -70.3 | -65.5 | 173.2 | -79.5 | -12 | 112.6 | H239 Y240 N241 V245 E246 C247 R331 Y375 E376 W404 | H239-R243 WeakPolarHBondContact O-CG 3.46Å; H239-R243 PolarHBondContact O-N 3.31Å; Y240-R243 WeakPolarHBondContact O-CB 3.4Å; Y240-R243 PolarHBondContact O-N 3.32Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3Å; R243-V245 VanDerWaalsContact C-N 3.32Å; R243-V245 PolarHBondContact O-N 3.47Å; R243-E246 VanDerWaalsContact CD-OE2 3.31Å; R243-E246 WeakPolarHBondContact CD-OE2 3.22Å; R243-E246 IonicContact CZ-OE2 3.45Å; R243-E246 IonicContact NE-OE2 2.74Å; R243-E246 IonicContact NH1-OE1 3.69Å; R243-E246 IonicContact NH1-OE2 3.97Å; R243-E246 PolarHBondContact NH1-OE2 2.93Å; R243-E246 PolarHBondContact O-N 3.49Å; R243-C247 PolarHBondContact O-N 3.31Å; R243-C247 PolarHBondContact O-SG 2.98Å; R243-C247 VanDerWaalsContact O-SG 3.42Å; R243-R331 VanDerWaalsContact CZ-NH2 3.35Å; R243-Y375 HydrophobicContact CB-CE1 3.65Å; R243-Y375 WeakPolarHBondContact CB-OH 3.04Å; R243-Y375 VanDerWaalsContact CD-CE1 3.46Å; R243-Y375 HydrophobicContact CG-CD1 4.22Å; R243-Y375 HydrophobicContact CG-CE1 3.56Å; R243-Y375 PolarHBondContact NE-O 2.96Å; R243-Y375 PolarHBondContact NH2-O 3.45Å; R243-E376 PolarHBondContact NH2-O 2.8Å; R243-W404 HydrophobicContact CG-CH2 3.89Å; R243-W404 HydrophobicContact CG-CZ2 3.87Å |
| 244 | V | 97.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 19.4 Ų | 19.4 | 6% | 0.061 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 175 | 176.6 | 0 | 0 | 0 | 0 | 111 | Y52 E185 Y240 N241 I242 C247 R248 | Y52-V244 HydrophobicContact CD1-CG2 4.13Å; Y52-V244 HydrophobicContact CD2-CB 4.43Å; Y52-V244 HydrophobicContact CD2-CG1 4.35Å; Y52-V244 HydrophobicContact CD2-CG2 3.94Å; Y52-V244 HydrophobicContact CE1-CG2 4.1Å; Y52-V244 HydrophobicContact CE2-CB 4.48Å; Y52-V244 HydrophobicContact CE2-CG2 3.96Å; Y52-V244 HydrophobicContact CG-CG2 4.02Å; E185-V244 HydrophobicContact CB-CB 4.46Å; E185-V244 HydrophobicContact CB-CG1 4.07Å; E185-V244 HydrophobicContact CB-CG2 4.35Å; Y240-V244 HydrophobicContact CD1-CG2 4.03Å; Y240-V244 HydrophobicContact CE1-CG2 3.73Å; Y240-V244 PolarHBondContact O-N 2.9Å; N241-V244 PolarHBondContact O-N 2.99Å; I242-V244 PolarHBondContact O-N 3.08Å; V244-C247 PolarHBondContact O-N 3.11Å; V244-R248 WeakPolarHBondContact O-CB 3.43Å; V244-R248 PolarHBondContact O-N 3Å |
| 245 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 178.1 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | N241 I242 R243 C247 R248 I249 L316 T320 F326 | N241-V245 WeakPolarHBondContact O-CB 3.29Å; N241-V245 WeakPolarHBondContact O-CG2 3.41Å; N241-V245 PolarHBondContact O-N 3.48Å; I242-V245 PolarHBondContact O-N 3.11Å; R243-V245 VanDerWaalsContact C-N 3.32Å; R243-V245 PolarHBondContact O-N 3.47Å; V245-C247 VanDerWaalsContact C-N 3.32Å; V245-C247 PolarHBondContact O-N 2.93Å; V245-R248 WeakPolarHBondContact O-CB 3.39Å; V245-R248 PolarHBondContact O-N 3.35Å; V245-R248 VanDerWaalsContact O-N 3.14Å; V245-I249 HydrophobicContact CG1-CD1 3.62Å; V245-I249 HydrophobicContact CG1-CG1 4.27Å; V245-I249 VanDerWaalsContact O-CG1 3.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.48Å; V245-I249 PolarHBondContact O-N 3.31Å; V245-L316 HydrophobicContact CG1-CD2 3.49Å; V245-L316 VanDerWaalsContact CG1-CD2 3.49Å; V245-T320 HydrophobicContact CG2-CG2 4.14Å; V245-F326 HydrophobicContact CG1-CD1 4.34Å; V245-F326 HydrophobicContact CG1-CE1 3.84Å |
| 246 | E | 98.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 175.3 | -73.5 | 175.9 | 131.8 | 0 | 0 | 111 | I242 R243 I249 A250 F326 K327 L328 R331 | I242-E246 HydrophobicContact CG2-CG 4.33Å; I242-E246 WeakPolarHBondContact O-CG 3.49Å; I242-E246 PolarHBondContact O-N 3.3Å; R243-E246 VanDerWaalsContact CD-OE2 3.31Å; R243-E246 WeakPolarHBondContact CD-OE2 3.22Å; R243-E246 IonicContact CZ-OE2 3.45Å; R243-E246 IonicContact NE-OE2 2.74Å; R243-E246 IonicContact NH1-OE1 3.69Å; R243-E246 IonicContact NH1-OE2 3.97Å; R243-E246 PolarHBondContact NH1-OE2 2.93Å; R243-E246 PolarHBondContact O-N 3.49Å; E246-I249 PolarHBondContact O-N 3.47Å; E246-A250 WeakPolarHBondContact O-CB 3.45Å; E246-A250 PolarHBondContact O-N 3.13Å; E246-F326 HydrophobicContact CG-CB 4.2Å; E246-F326 HydrophobicContact CG-CD1 4.01Å; E246-K327 PolarHBondContact OE1-N 3.25Å; E246-L328 HydrophobicContact CB-CD2 4.48Å; E246-L328 WeakPolarHBondContact O-CD2 3.21Å; E246-R331 HydrophobicContact CB-CB 4.33Å; E246-R331 HydrophobicContact CB-CG 3.66Å; E246-R331 HydrophobicContact CG-CG 4.34Å; E246-R331 IonicContact OE1-CZ 2.81Å; E246-R331 IonicContact OE1-NE 2.66Å; E246-R331 IonicContact OE1-NH2 2.72Å; E246-R331 PolarHBondContact OE1-NH2 3.17Å; E246-R331 WeakPolarHBondContact OE2-CG 3.31Å; E246-R331 IonicContact OE2-CZ 3.23Å; E246-R331 IonicContact OE2-NE 2.89Å; E246-R331 PolarHBondContact OE2-NE 2.74Å; E246-R331 IonicContact OE2-NH2 3.84Å |
| 247 | C | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 175.8 | -68.4 | 0 | 0 | 0 | 0 | 113.2 | Y52 C53 R243 V244 V245 A250 T251 L268 Y375 | Y52-C247 HydrophobicContact CE2-CB 4.48Å; C53-C247 VanDerWaalsContact SG-CB 3.59Å; R243-C247 PolarHBondContact O-N 3.31Å; R243-C247 PolarHBondContact O-SG 2.98Å; R243-C247 VanDerWaalsContact O-SG 3.42Å; V244-C247 PolarHBondContact O-N 3.11Å; V245-C247 VanDerWaalsContact C-N 3.32Å; V245-C247 PolarHBondContact O-N 2.93Å; C247-A250 PolarHBondContact O-N 3.35Å; C247-T251 PolarHBondContact O-N 3.27Å; C247-T251 PolarHBondContact O-OG1 2.59Å; C247-L268 HydrophobicContact CB-CD1 4.13Å; C247-Y375 PolarHBondContact SG-OH 2.95Å |
| 248 | R | 98.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 24.8 Ų | 24.8 | 13% | 0.132 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 175.6 | -178 | -172.7 | -63.5 | 153.8 | 4.7 | 110.8 | E185 V244 V245 T251 K252 M266 L315 | E185-R248 IonicContact OE2-CZ 2.71Å; E185-R248 IonicContact OE2-NH1 3.21Å; E185-R248 IonicContact OE2-NH2 3.63Å; E185-R248 PolarHBondContact OE2-NH2 2.94Å; V244-R248 WeakPolarHBondContact O-CB 3.43Å; V244-R248 PolarHBondContact O-N 3Å; V245-R248 WeakPolarHBondContact O-CB 3.39Å; V245-R248 PolarHBondContact O-N 3.35Å; V245-R248 VanDerWaalsContact O-N 3.14Å; R248-T251 VanDerWaalsContact O-CB 3.26Å; R248-T251 WeakPolarHBondContact O-CB 3.42Å; R248-T251 PolarHBondContact O-N 3.43Å; R248-K252 WeakPolarHBondContact O-CG 3.24Å; R248-K252 PolarHBondContact O-N 3Å; R248-M266 HydrophobicContact CG-CE 3.89Å; R248-L315 WeakPolarHBondContact CD-O 3.32Å; R248-L315 HydrophobicContact CG-CD2 4.46Å; R248-L315 PolarHBondContact NH1-O 2.78Å |
| 249 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -46 | 177.4 | -63.9 | 164.9 | 0 | 0 | 0 | 110 | V245 E246 T251 K252 M253 I300 M311 L315 L316 F326 L328 | V245-I249 HydrophobicContact CG1-CD1 3.62Å; V245-I249 HydrophobicContact CG1-CG1 4.27Å; V245-I249 VanDerWaalsContact O-CG1 3.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.48Å; V245-I249 PolarHBondContact O-N 3.31Å; E246-I249 PolarHBondContact O-N 3.47Å; I249-T251 PolarHBondContact O-N 2.96Å; I249-K252 PolarHBondContact O-N 2.89Å; I249-M253 HydrophobicContact CG2-CG 4.14Å; I249-M253 VanDerWaalsContact O-CG 3.26Å; I249-M253 WeakPolarHBondContact O-CG 3.43Å; I249-M253 PolarHBondContact O-N 3.02Å; I249-I300 HydrophobicContact CD1-CD1 4.31Å; I249-I300 HydrophobicContact CG2-CD1 3.93Å; I249-I300 HydrophobicContact CG2-CG1 4.04Å; I249-I300 HydrophobicContact CG2-CG2 3.76Å; I249-M311 HydrophobicContact CD1-CE 4.31Å; I249-L315 HydrophobicContact CG1-CB 4.36Å; I249-L315 HydrophobicContact CG1-CD1 4.33Å; I249-L316 HydrophobicContact CD1-CD2 4.43Å; I249-F326 HydrophobicContact CD1-CD1 3.61Å; I249-F326 HydrophobicContact CD1-CD2 4.46Å; I249-F326 HydrophobicContact CD1-CE1 3.74Å; I249-F326 HydrophobicContact CD1-CG 4.01Å; I249-F326 HydrophobicContact CD1-CZ 4.24Å; I249-L328 HydrophobicContact CB-CD2 3.78Å; I249-L328 HydrophobicContact CG2-CD1 3.67Å; I249-L328 HydrophobicContact CG2-CD2 3.69Å; I249-L328 HydrophobicContact CG2-CG 4.36Å |
| 250 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.5 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E246 C247 K252 M253 L254 L268 L290 L328 A332 | E246-A250 WeakPolarHBondContact O-CB 3.45Å; E246-A250 PolarHBondContact O-N 3.13Å; C247-A250 PolarHBondContact O-N 3.35Å; A250-K252 PolarHBondContact O-N 3.41Å; A250-M253 PolarHBondContact O-N 3.17Å; A250-L254 WeakPolarHBondContact O-CB 3.45Å; A250-L254 VanDerWaalsContact O-CG 3.23Å; A250-L254 WeakPolarHBondContact O-CG 3.38Å; A250-L254 PolarHBondContact O-N 3.01Å; A250-L268 HydrophobicContact CB-CD2 4.19Å; A250-L290 HydrophobicContact CB-CD1 4.17Å; A250-L328 HydrophobicContact CB-CB 4.13Å; A250-L328 HydrophobicContact CB-CD2 4.47Å; A250-A332 HydrophobicContact CB-CB 4.24Å |
| 251 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.1 | -51 | 173 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | C247 R248 I249 M253 A255 L265 K267 L268 V271 | C247-T251 PolarHBondContact O-N 3.27Å; C247-T251 PolarHBondContact O-OG1 2.59Å; R248-T251 VanDerWaalsContact O-CB 3.26Å; R248-T251 WeakPolarHBondContact O-CB 3.42Å; R248-T251 PolarHBondContact O-N 3.43Å; I249-T251 PolarHBondContact O-N 2.96Å; T251-M253 VanDerWaalsContact C-N 3.35Å; T251-M253 PolarHBondContact O-N 2.77Å; T251-A255 VanDerWaalsContact O-CB 3.3Å; T251-A255 WeakPolarHBondContact O-CB 3.42Å; T251-A255 PolarHBondContact O-N 3.08Å; T251-L265 HydrophobicContact CG2-CB 4.03Å; T251-K267 VanDerWaalsContact CG2-C 3.43Å; T251-K267 VanDerWaalsContact CG2-O 3.29Å; T251-K267 WeakPolarHBondContact CG2-O 3.39Å; T251-K267 VanDerWaalsContact OG1-C 3.24Å; T251-L268 WeakPolarHBondContact OG1-CG 3.2Å; T251-L268 PolarHBondContact OG1-N 2.74Å; T251-V271 HydrophobicContact CG2-CG2 3.59Å |
| 252 | K | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | -179.1 | -59.8 | -66 | -172.9 | -172.2 | 0 | 111.8 | R248 I249 A250 A255 K256 P262 S263 L265 M266 L304 L315 | R248-K252 WeakPolarHBondContact O-CG 3.24Å; R248-K252 PolarHBondContact O-N 3Å; I249-K252 PolarHBondContact O-N 2.89Å; A250-K252 PolarHBondContact O-N 3.41Å; K252-A255 PolarHBondContact O-N 2.68Å; K252-K256 WeakPolarHBondContact O-CB 3.44Å; K252-K256 PolarHBondContact O-N 3.27Å; K252-P262 HydrophobicContact CB-CB 4.26Å; K252-P262 HydrophobicContact CD-CB 3.86Å; K252-P262 WeakPolarHBondContact CD-O 3.43Å; K252-P262 WeakPolarHBondContact CE-O 3.31Å; K252-P262 PolarHBondContact NZ-O 3.09Å; K252-S263 PolarHBondContact NZ-O 3.18Å; K252-L265 WeakPolarHBondContact CD-O 3.39Å; K252-L265 WeakPolarHBondContact CE-O 3.17Å; K252-L265 PolarHBondContact NZ-O 3.13Å; K252-M266 PolarHBondContact NZ-SD 3.06Å; K252-L304 HydrophobicContact CB-CD1 3.94Å; K252-L304 HydrophobicContact CB-CD2 3.83Å; K252-L315 HydrophobicContact CD-CD2 4.44Å; K252-L315 HydrophobicContact CG-CD2 3.92Å |
| 253 | M | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -48.3 | -179.9 | -65.8 | -78.1 | -72.8 | 0 | 0 | 111.4 | I249 A250 T251 K256 A257 L290 Y295 V303 L304 L328 | I249-M253 HydrophobicContact CG2-CG 4.14Å; I249-M253 VanDerWaalsContact O-CG 3.26Å; I249-M253 WeakPolarHBondContact O-CG 3.43Å; I249-M253 PolarHBondContact O-N 3.02Å; A250-M253 PolarHBondContact O-N 3.17Å; T251-M253 VanDerWaalsContact C-N 3.35Å; T251-M253 PolarHBondContact O-N 2.77Å; M253-K256 PolarHBondContact O-N 2.93Å; M253-A257 WeakPolarHBondContact O-CB 3.35Å; M253-A257 PolarHBondContact O-N 2.75Å; M253-L290 HydrophobicContact CB-CD2 3.75Å; M253-Y295 HydrophobicContact CE-CD1 3.97Å; M253-Y295 HydrophobicContact CE-CE1 3.5Å; M253-V303 HydrophobicContact CE-CB 4.02Å; M253-V303 HydrophobicContact CE-CG1 3.75Å; M253-V303 HydrophobicContact CE-CG2 4.14Å; M253-V303 HydrophobicContact SD-CB 3.87Å; M253-V303 HydrophobicContact SD-CG1 3.6Å; M253-V303 VanDerWaalsContact SD-CG1 3.6Å; M253-L304 HydrophobicContact CG-CD2 4.36Å; M253-L304 HydrophobicContact SD-CD2 3.95Å; M253-L304 HydrophobicContact SD-CG 4.03Å; M253-L328 HydrophobicContact CE-CD1 4.33Å; M253-L328 HydrophobicContact CG-CD1 3.91Å |
| 254 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 177 | -67.4 | 172.5 | 0 | 0 | 0 | 111.9 | A250 A257 R258 L268 V271 L285 V286 V289 L290 Y336 | A250-L254 WeakPolarHBondContact O-CB 3.45Å; A250-L254 VanDerWaalsContact O-CG 3.23Å; A250-L254 WeakPolarHBondContact O-CG 3.38Å; A250-L254 PolarHBondContact O-N 3.01Å; L254-A257 PolarHBondContact O-N 2.73Å; L254-R258 PolarHBondContact O-N 3.01Å; L254-L268 HydrophobicContact CD1-CD2 3.77Å; L254-V271 HydrophobicContact CB-CG1 4.11Å; L254-L285 HydrophobicContact CD2-CD2 4.2Å; L254-L285 HydrophobicContact CD2-CG 4Å; L254-V286 HydrophobicContact CD1-CG2 4.24Å; L254-V286 HydrophobicContact CD2-CG2 4.42Å; L254-V289 HydrophobicContact CD2-CB 3.98Å; L254-V289 HydrophobicContact CD2-CG1 3.99Å; L254-L290 HydrophobicContact CD1-CD1 4.43Å; L254-L290 HydrophobicContact CD2-CD1 4.05Å; L254-L290 HydrophobicContact CD2-CD2 4.48Å; L254-L290 HydrophobicContact CD2-CG 3.98Å; L254-L290 HydrophobicContact CG-CD1 4.15Å; L254-L290 HydrophobicContact CG-CG 4.45Å; L254-Y336 HydrophobicContact CD1-CE2 3.95Å; L254-Y336 WeakPolarHBondContact CD1-OH 3.31Å |
| 255 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.4 | -50.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T251 K252 A257 R258 G259 L260 P262 L265 V271 | T251-A255 VanDerWaalsContact O-CB 3.3Å; T251-A255 WeakPolarHBondContact O-CB 3.42Å; T251-A255 PolarHBondContact O-N 3.08Å; K252-A255 PolarHBondContact O-N 2.68Å; A255-A257 PolarHBondContact O-N 3.23Å; A255-R258 CarbonylContact O-C 3.54Å; A255-R258 PolarHBondContact O-N 3.43Å; A255-G259 PolarHBondContact O-N 2.62Å; A255-L260 HydrophobicContact CB-CB 4.05Å; A255-L260 WeakPolarHBondContact O-CB 3.28Å; A255-L260 PolarHBondContact O-N 2.91Å; A255-P262 HydrophobicContact CB-CB 4.36Å; A255-P262 HydrophobicContact CB-CG 4.46Å; A255-L265 HydrophobicContact CB-CD1 3.73Å; A255-V271 HydrophobicContact CB-CG2 4.28Å |
| 256 | K | 97.5 | Very high | 96.6 | Very high | 105 Ų | 105 | 43.6 Ų | 43.6 | 46% | 0.457 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 179.5 | -176.3 | 68.9 | 175.8 | -168.3 | 0 | 111.7 | K252 M253 R258 G259 P262 L304 | K252-K256 WeakPolarHBondContact O-CB 3.44Å; K252-K256 PolarHBondContact O-N 3.27Å; M253-K256 PolarHBondContact O-N 2.93Å; K256-R258 PolarHBondContact O-N 3.29Å; K256-G259 PolarHBondContact O-N 2.92Å; K256-G259 VanDerWaalsContact O-N 3.11Å; K256-P262 HydrophobicContact CB-CG 3.95Å; K256-P262 HydrophobicContact CD-CG 4.1Å; K256-L304 HydrophobicContact CB-CD2 4.26Å |
| 257 | A | 97.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 46 Ų | 46 | 45% | 0.446 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.8 | -27.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M253 L254 A255 V289 | M253-A257 WeakPolarHBondContact O-CB 3.35Å; M253-A257 PolarHBondContact O-N 2.75Å; L254-A257 PolarHBondContact O-N 2.73Å; A255-A257 PolarHBondContact O-N 3.23Å; A257-V289 HydrophobicContact CB-CB 4.32Å; A257-V289 HydrophobicContact CB-CG1 3.38Å; A257-V289 HydrophobicContact CB-CG2 3.89Å |
| 258 | R | 97.6 | Very high | 96.6 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 39% | 0.389 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 13.5 | 176.2 | -65.8 | -57 | -160.6 | -145 | -3.2 | 114.3 | L254 A255 K256 L260 L275 L285 E288 | L254-R258 PolarHBondContact O-N 3.01Å; A255-R258 CarbonylContact O-C 3.54Å; A255-R258 PolarHBondContact O-N 3.43Å; K256-R258 PolarHBondContact O-N 3.29Å; R258-L260 PolarHBondContact O-N 2.97Å; R258-L275 HydrophobicContact CB-CD1 4.33Å; R258-L275 HydrophobicContact CB-CD2 3.83Å; R258-L275 HydrophobicContact CG-CD1 4Å; R258-L275 HydrophobicContact CG-CD2 4.24Å; R258-L285 HydrophobicContact CG-CD1 3.96Å; R258-L285 HydrophobicContact CG-CD2 4.34Å; R258-E288 IonicContact CZ-OE1 3.61Å; R258-E288 IonicContact CZ-OE2 2.71Å; R258-E288 IonicContact NH1-OE1 3.14Å; R258-E288 PolarHBondContact NH1-OE1 3.37Å; R258-E288 IonicContact NH1-OE2 3.68Å; R258-E288 VanDerWaalsContact NH2-CD 3.29Å; R258-E288 IonicContact NH2-OE1 2.68Å; R258-E288 PolarHBondContact NH2-OE1 3.15Å; R258-E288 IonicContact NH2-OE2 3.79Å; R258-E288 PolarHBondContact NH2-OE2 2.85Å |
| 259 | G | 96.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 71% | 0.711 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 15.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A255 K256 | A255-G259 PolarHBondContact O-N 2.62Å; K256-G259 PolarHBondContact O-N 2.92Å; K256-G259 VanDerWaalsContact O-N 3.11Å |
| 260 | L | 97.1 | Very high | 96.5 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | trans | -79.9 | 152.2 | 171.1 | -56.9 | 179.8 | 0 | 0 | 0 | 109.9 | A255 R258 P262 L265 V271 E274 L275 | A255-L260 HydrophobicContact CB-CB 4.05Å; A255-L260 WeakPolarHBondContact O-CB 3.28Å; A255-L260 PolarHBondContact O-N 2.91Å; R258-L260 PolarHBondContact O-N 2.97Å; L260-P262 WeakPolarHBondContact O-CD 3.44Å; L260-L265 HydrophobicContact CB-CD1 4.09Å; L260-L265 HydrophobicContact CD1-CD1 4Å; L260-V271 HydrophobicContact CD1-CG1 4.32Å; L260-E274 HydrophobicContact CD1-CB 3.69Å; L260-E274 HydrophobicContact CD1-CG 4.48Å; L260-E274 HydrophobicContact CD2-CB 4.2Å; L260-L275 HydrophobicContact CD1-CD2 3.88Å; L260-L275 HydrophobicContact CD1-CG 4.03Å; L260-L275 HydrophobicContact CD2-CD2 4.34Å; L260-L275 HydrophobicContact CG-CD2 4.22Å | ||
| 261 | D | 94 | Very high | 96.5 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | trans | -70.7 | 107.8 | 174 | 177 | 4.9 | 0 | 0 | 0 | 110.3 | S263 R264 | D261-S263 PolarHBondContact O-N 3.07Å; D261-S263 WeakPolarHBondContact OD1-CB 3.37Å; D261-S263 PolarHBondContact OD1-N 3.1Å; D261-S263 PolarHBondContact OD1-OG 3.1Å; D261-S263 PolarHBondContact OD2-OG 3.34Å; D261-S263 VanDerWaalsContact OD2-OG 3.08Å; D261-R264 PolarHBondContact O-N 3.14Å; D261-R264 VanDerWaalsContact OD2-CD 3.27Å; D261-R264 WeakPolarHBondContact OD2-CD 3.4Å; D261-R264 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 262 | P | 91.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -67.5 | -27 | -176.3 | -18 | 34 | 0 | 0 | 0 | 111.6 | K252 A255 K256 L260 R264 L265 | K252-P262 HydrophobicContact CB-CB 4.26Å; K252-P262 HydrophobicContact CD-CB 3.86Å; K252-P262 WeakPolarHBondContact CD-O 3.43Å; K252-P262 WeakPolarHBondContact CE-O 3.31Å; K252-P262 PolarHBondContact NZ-O 3.09Å; A255-P262 HydrophobicContact CB-CB 4.36Å; A255-P262 HydrophobicContact CB-CG 4.46Å; K256-P262 HydrophobicContact CB-CG 3.95Å; K256-P262 HydrophobicContact CD-CG 4.1Å; L260-P262 WeakPolarHBondContact O-CD 3.44Å; P262-R264 PolarHBondContact O-N 3.29Å; P262-R264 VanDerWaalsContact O-N 3.13Å; P262-L265 PolarHBondContact O-N 3.2Å |
| 263 | S | 88.9 | Confident | 96.5 | Very high | 86 Ų | 86 | 52 Ų | 52 | 60% | 0.601 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -60.2 | -29.9 | -174.8 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | K252 D261 | K252-S263 PolarHBondContact NZ-O 3.18Å; D261-S263 PolarHBondContact O-N 3.07Å; D261-S263 WeakPolarHBondContact OD1-CB 3.37Å; D261-S263 PolarHBondContact OD1-N 3.1Å; D261-S263 PolarHBondContact OD1-OG 3.1Å; D261-S263 PolarHBondContact OD2-OG 3.34Å; D261-S263 VanDerWaalsContact OD2-OG 3.08Å |
| 264 | R | 91.5 | Very high | 96.5 | Very high | 197 Ų | 197 | 57.2 Ų | 57.2 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -88 | -13.7 | -176.6 | -62.2 | 177.9 | 67.8 | 166.4 | -0.1 | 114.5 | D261 P262 | D261-R264 PolarHBondContact O-N 3.14Å; D261-R264 VanDerWaalsContact OD2-CD 3.27Å; D261-R264 WeakPolarHBondContact OD2-CD 3.4Å; D261-R264 WeakPolarHBondContact OD2-CG 3.35Å; P262-R264 PolarHBondContact O-N 3.29Å; P262-R264 VanDerWaalsContact O-N 3.13Å |
| 265 | L | 95.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | trans | -111.6 | 121.8 | -171.6 | -54.8 | 177.4 | 0 | 0 | 0 | 110.5 | T251 K252 A255 L260 P262 Q270 V271 E274 | T251-L265 HydrophobicContact CG2-CB 4.03Å; K252-L265 WeakPolarHBondContact CD-O 3.39Å; K252-L265 WeakPolarHBondContact CE-O 3.17Å; K252-L265 PolarHBondContact NZ-O 3.13Å; A255-L265 HydrophobicContact CB-CD1 3.73Å; L260-L265 HydrophobicContact CB-CD1 4.09Å; L260-L265 HydrophobicContact CD1-CD1 4Å; P262-L265 PolarHBondContact O-N 3.2Å; L265-Q270 HydrophobicContact CD2-CB 3.68Å; L265-V271 HydrophobicContact CD1-CG2 4.18Å; L265-E274 HydrophobicContact CD1-CG 4.49Å; L265-E274 HydrophobicContact CD2-CG 4.06Å | ||
| 266 | M | 95.2 | Very high | 96.4 | Very high | 79 Ų | 79 | 69 Ų | 69 | 39% | 0.389 | 36% | 0.358 | S | S | . | . | trans | -117.4 | -12 | -178.6 | -65 | -60.9 | -73.4 | 0 | 0 | 113 | R248 K252 | R248-M266 HydrophobicContact CG-CE 3.89Å; K252-M266 PolarHBondContact NZ-SD 3.06Å | ||
| 267 | K | 97.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 65 Ų | 65 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -131.7 | 142.9 | -174 | -60.7 | -174.3 | 174.2 | -165.1 | 0 | 111.9 | Y52 C53 T251 S269 Q270 | Y52-K267 VanDerWaalsContact O-CD 3.31Å; Y52-K267 WeakPolarHBondContact O-CD 3.08Å; Y52-K267 WeakPolarHBondContact O-CE 3.48Å; Y52-K267 WeakPolarHBondContact O-CG 3.26Å; C53-K267 WeakPolarHBondContact O-CB 3.39Å; T251-K267 VanDerWaalsContact CG2-C 3.43Å; T251-K267 VanDerWaalsContact CG2-O 3.29Å; T251-K267 WeakPolarHBondContact CG2-O 3.39Å; T251-K267 VanDerWaalsContact OG1-C 3.24Å; K267-S269 VanDerWaalsContact C-N 3.26Å; K267-S269 PolarHBondContact O-N 2.89Å; K267-Q270 HydrophobicContact CB-CG 4.08Å; K267-Q270 WeakPolarHBondContact O-CB 3.23Å; K267-Q270 PolarHBondContact O-N 3.22Å |
| 268 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.3 | -37.5 | 179.8 | -71.8 | 168.5 | 0 | 0 | 0 | 112.3 | C53 Y55 C247 A250 T251 L254 Q270 V271 Q272 A332 V335 Y336 | C53-L268 HydrophobicContact CB-CB 4.4Å; Y55-L268 HydrophobicContact CE2-CB 4.26Å; C247-L268 HydrophobicContact CB-CD1 4.13Å; A250-L268 HydrophobicContact CB-CD2 4.19Å; T251-L268 WeakPolarHBondContact OG1-CG 3.2Å; T251-L268 PolarHBondContact OG1-N 2.74Å; L254-L268 HydrophobicContact CD1-CD2 3.77Å; L268-Q270 PolarHBondContact O-N 3.42Å; L268-V271 PolarHBondContact O-N 3Å; L268-V271 VanDerWaalsContact O-N 3.13Å; L268-Q272 PolarHBondContact O-N 3.2Å; L268-A332 HydrophobicContact CD1-CB 4.4Å; L268-A332 HydrophobicContact CD2-CB 4.36Å; L268-V335 HydrophobicContact CB-CG1 4.31Å; L268-V335 HydrophobicContact CD1-CB 3.73Å; L268-V335 HydrophobicContact CD1-CG1 3.67Å; L268-V335 HydrophobicContact CD1-CG2 3.95Å; L268-Y336 HydrophobicContact CB-CE1 3.99Å; L268-Y336 HydrophobicContact CD2-CE2 4.13Å; L268-Y336 VanDerWaalsContact CD2-OH 3.29Å; L268-Y336 WeakPolarHBondContact CD2-OH 3.25Å; L268-Y336 PolarHBondContact O-OH 3.31Å |
| 269 | S | 98.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -27.2 | 177.2 | 71.5 | 0 | 0 | 0 | 0 | 114 | C53 G54 Y55 K267 T273 | C53-S269 VanDerWaalsContact O-CB 3.29Å; C53-S269 WeakPolarHBondContact O-CB 3.46Å; C53-S269 PolarHBondContact O-N 2.92Å; C53-S269 PolarHBondContact O-OG 2.84Å; C53-S269 VanDerWaalsContact O-OG 3.04Å; G54-S269 WeakPolarHBondContact CA-OG 3.33Å; G54-S269 PolarHBondContact O-OG 3.12Å; Y55-S269 WeakPolarHBondContact OH-CA 3.46Å; K267-S269 VanDerWaalsContact C-N 3.26Å; K267-S269 PolarHBondContact O-N 2.89Å; S269-T273 WeakPolarHBondContact O-CB 3.46Å; S269-T273 PolarHBondContact O-N 3.3Å; S269-T273 PolarHBondContact O-OG1 3.47Å |
| 270 | Q | 98.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.6 | -36.2 | 178.2 | -59 | 173 | -53.2 | 0 | 0 | 111.1 | L265 K267 L268 T273 E274 | L265-Q270 HydrophobicContact CD2-CB 3.68Å; K267-Q270 HydrophobicContact CB-CG 4.08Å; K267-Q270 WeakPolarHBondContact O-CB 3.23Å; K267-Q270 PolarHBondContact O-N 3.22Å; L268-Q270 PolarHBondContact O-N 3.42Å; Q270-T273 PolarHBondContact O-N 2.92Å; Q270-E274 WeakPolarHBondContact O-CB 3.29Å; Q270-E274 WeakPolarHBondContact O-CG 3.1Å; Q270-E274 PolarHBondContact O-N 2.95Å |
| 271 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | T251 L254 A255 L260 L265 L268 T273 E274 L275 M282 | T251-V271 HydrophobicContact CG2-CG2 3.59Å; L254-V271 HydrophobicContact CB-CG1 4.11Å; A255-V271 HydrophobicContact CB-CG2 4.28Å; L260-V271 HydrophobicContact CD1-CG1 4.32Å; L265-V271 HydrophobicContact CD1-CG2 4.18Å; L268-V271 PolarHBondContact O-N 3Å; L268-V271 VanDerWaalsContact O-N 3.13Å; V271-T273 VanDerWaalsContact C-N 3.29Å; V271-T273 PolarHBondContact O-N 3.19Å; V271-E274 PolarHBondContact O-N 3.47Å; V271-L275 HydrophobicContact CG1-CD1 3.83Å; V271-L275 HydrophobicContact CG1-CG 4.37Å; V271-L275 WeakPolarHBondContact O-CB 3.43Å; V271-L275 VanDerWaalsContact O-CG 3.28Å; V271-L275 WeakPolarHBondContact O-CG 3.32Å; V271-L275 PolarHBondContact O-N 2.98Å; V271-M282 HydrophobicContact CB-CE 4.24Å; V271-M282 HydrophobicContact CG1-CE 3.84Å |
| 272 | Q | 98.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 16% | 0.159 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 175.1 | -177.6 | -167.7 | 9.5 | 0 | 0 | 111.8 | Y55 L268 L275 K276 A277 M282 | Y55-Q272 VanDerWaalsContact CZ-OE1 3.29Å; Y55-Q272 WeakPolarHBondContact OH-CB 3.42Å; Y55-Q272 PolarHBondContact OH-OE1 2.95Å; L268-Q272 PolarHBondContact O-N 3.2Å; Q272-L275 PolarHBondContact O-N 2.91Å; Q272-K276 PolarHBondContact O-N 3.19Å; Q272-A277 WeakPolarHBondContact CG-O 3.29Å; Q272-A277 PolarHBondContact NE2-O 2.92Å; Q272-A277 PolarHBondContact O-N 3.3Å; Q272-M282 HydrophobicContact CB-CE 4.24Å; Q272-M282 HydrophobicContact CB-CG 3.86Å; Q272-M282 HydrophobicContact CB-SD 4.08Å; Q272-M282 HydrophobicContact CG-CG 3.7Å; Q272-M282 HydrophobicContact CG-SD 4.3Å |
| 273 | T | 97.6 | Very high | 97.2 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 57% | 0.571 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | -177.6 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | S269 Q270 V271 L275 K276 | S269-T273 WeakPolarHBondContact O-CB 3.46Å; S269-T273 PolarHBondContact O-N 3.3Å; S269-T273 PolarHBondContact O-OG1 3.47Å; Q270-T273 PolarHBondContact O-N 2.92Å; V271-T273 VanDerWaalsContact C-N 3.29Å; V271-T273 PolarHBondContact O-N 3.19Å; T273-L275 VanDerWaalsContact C-N 3.33Å; T273-L275 PolarHBondContact O-N 3.19Å; T273-K276 PolarHBondContact O-N 3.21Å; T273-K276 VanDerWaalsContact O-N 3.17Å |
| 274 | E | 97.9 | Very high | 97.6 | Very high | 118 Ų | 118 | 63.9 Ų | 63.9 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | 178.1 | -71.2 | -66.2 | 160.9 | 0 | 0 | 112 | L260 L265 Q270 V271 K276 | L260-E274 HydrophobicContact CD1-CB 3.69Å; L260-E274 HydrophobicContact CD1-CG 4.48Å; L260-E274 HydrophobicContact CD2-CB 4.2Å; L265-E274 HydrophobicContact CD1-CG 4.49Å; L265-E274 HydrophobicContact CD2-CG 4.06Å; Q270-E274 WeakPolarHBondContact O-CB 3.29Å; Q270-E274 WeakPolarHBondContact O-CG 3.1Å; Q270-E274 PolarHBondContact O-N 2.95Å; V271-E274 PolarHBondContact O-N 3.47Å; E274-K276 VanDerWaalsContact C-N 3.28Å; E274-K276 PolarHBondContact O-N 3.11Å |
| 275 | L | 98 | Very high | 98 | Very high | 57 Ų | 57 | 54.8 Ų | 54.8 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -77.2 | -13.3 | 176.7 | -63.5 | 179.2 | 0 | 0 | 0 | 113.6 | R258 L260 V271 Q272 T273 A277 M282 L285 | R258-L275 HydrophobicContact CB-CD1 4.33Å; R258-L275 HydrophobicContact CB-CD2 3.83Å; R258-L275 HydrophobicContact CG-CD1 4Å; R258-L275 HydrophobicContact CG-CD2 4.24Å; L260-L275 HydrophobicContact CD1-CD2 3.88Å; L260-L275 HydrophobicContact CD1-CG 4.03Å; L260-L275 HydrophobicContact CD2-CD2 4.34Å; L260-L275 HydrophobicContact CG-CD2 4.22Å; V271-L275 HydrophobicContact CG1-CD1 3.83Å; V271-L275 HydrophobicContact CG1-CG 4.37Å; V271-L275 WeakPolarHBondContact O-CB 3.43Å; V271-L275 VanDerWaalsContact O-CG 3.28Å; V271-L275 WeakPolarHBondContact O-CG 3.32Å; V271-L275 PolarHBondContact O-N 2.98Å; Q272-L275 PolarHBondContact O-N 2.91Å; T273-L275 VanDerWaalsContact C-N 3.33Å; T273-L275 PolarHBondContact O-N 3.19Å; L275-A277 HydrophobicContact CB-CB 4.15Å; L275-A277 PolarHBondContact O-N 3.28Å; L275-M282 HydrophobicContact CD1-CE 4.45Å; L275-M282 HydrophobicContact CD1-SD 4.09Å; L275-L285 HydrophobicContact CD1-CD2 3.78Å |
| 276 | K | 98.1 | Very high | 98.1 | Very high | 192 Ų | 192 | 54.3 Ų | 54.3 | 84% | 0.835 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 37.9 | -172.6 | -56.2 | 176.8 | -177.6 | 174.6 | 0 | 112.5 | Q272 T273 E274 | Q272-K276 PolarHBondContact O-N 3.19Å; T273-K276 PolarHBondContact O-N 3.21Å; T273-K276 VanDerWaalsContact O-N 3.17Å; E274-K276 VanDerWaalsContact C-N 3.28Å; E274-K276 PolarHBondContact O-N 3.11Å |
| 277 | A | 97.9 | Very high | 98.3 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | trans | -95.6 | 149.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q272 L275 E281 M282 | Q272-A277 WeakPolarHBondContact CG-O 3.29Å; Q272-A277 PolarHBondContact NE2-O 2.92Å; Q272-A277 PolarHBondContact O-N 3.3Å; L275-A277 HydrophobicContact CB-CB 4.15Å; L275-A277 PolarHBondContact O-N 3.28Å; A277-E281 WeakPolarHBondContact CA-OE2 3.35Å; A277-E281 HydrophobicContact CB-CB 4.06Å; A277-M282 HydrophobicContact CB-CG 4.08Å; A277-M282 HydrophobicContact CB-SD 3.74Å | ||
| 278 | S | 98.4 | Very high | 98.3 | Very high | 50 Ų | 50 | 58 Ų | 58 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | trans | -68.4 | 162.9 | 164.6 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | E280 E281 M282 | S278-E280 VanDerWaalsContact C-N 3.26Å; S278-E280 PolarHBondContact O-N 2.81Å; S278-E281 WeakPolarHBondContact CB-OE2 3.26Å; S278-E281 PolarHBondContact N-OE2 3.16Å; S278-E281 PolarHBondContact O-N 2.97Å; S278-E281 WeakPolarHBondContact OG-CB 3.31Å; S278-E281 VanDerWaalsContact OG-CD 3.29Å; S278-E281 VanDerWaalsContact OG-CG 3.23Å; S278-E281 WeakPolarHBondContact OG-CG 3.43Å; S278-E281 PolarHBondContact OG-N 2.78Å; S278-E281 PolarHBondContact OG-OE2 3.06Å; S278-M282 WeakPolarHBondContact O-CG 3.17Å; S278-M282 PolarHBondContact O-N 3.43Å | ||
| 279 | L | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.6 | -31.9 | 176.7 | -70.9 | 167.1 | 0 | 0 | 0 | 112.2 | Y55 M282 L283 Y336 A339 E340 | Y55-L279 HydrophobicContact CE1-CD2 3.9Å; L279-M282 PolarHBondContact O-N 3.32Å; L279-L283 WeakPolarHBondContact O-CG 3.47Å; L279-L283 PolarHBondContact O-N 2.84Å; L279-Y336 HydrophobicContact CD2-CD1 4.04Å; L279-A339 HydrophobicContact CD1-CB 4.11Å; L279-A339 HydrophobicContact CD2-CB 4.05Å; L279-E340 HydrophobicContact CB-CB 4.23Å; L279-E340 VanDerWaalsContact CD1-CA 3.47Å; L279-E340 HydrophobicContact CD1-CB 3.81Å |
| 280 | E | 97.6 | Very high | 98.3 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.8 | -46.5 | 173.8 | -174.6 | 177.1 | -176.1 | 0 | 0 | 111.5 | S278 M282 L283 A284 | S278-E280 VanDerWaalsContact C-N 3.26Å; S278-E280 PolarHBondContact O-N 2.81Å; E280-M282 VanDerWaalsContact C-N 3.28Å; E280-M282 PolarHBondContact O-N 2.98Å; E280-L283 WeakPolarHBondContact O-CB 3.5Å; E280-L283 PolarHBondContact O-N 2.78Å; E280-A284 PolarHBondContact O-N 2.66Å |
| 281 | E | 98.6 | Very high | 98.3 | Very high | 116 Ų | 116 | 60.4 Ų | 60.4 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 174.6 | -72.8 | 164.5 | 137.4 | 0 | 0 | 111.9 | A277 S278 A284 L285 | A277-E281 WeakPolarHBondContact CA-OE2 3.35Å; A277-E281 HydrophobicContact CB-CB 4.06Å; S278-E281 WeakPolarHBondContact CB-OE2 3.26Å; S278-E281 PolarHBondContact N-OE2 3.16Å; S278-E281 PolarHBondContact O-N 2.97Å; S278-E281 WeakPolarHBondContact OG-CB 3.31Å; S278-E281 VanDerWaalsContact OG-CD 3.29Å; S278-E281 VanDerWaalsContact OG-CG 3.23Å; S278-E281 WeakPolarHBondContact OG-CG 3.43Å; S278-E281 PolarHBondContact OG-N 2.78Å; S278-E281 PolarHBondContact OG-OE2 3.06Å; E281-A284 PolarHBondContact O-N 2.96Å; E281-L285 WeakPolarHBondContact O-CB 3.13Å; E281-L285 PolarHBondContact O-N 2.96Å |
| 282 | M | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.1 | -35.1 | 174.7 | -67.8 | -54.4 | -65.4 | 0 | 0 | 112.8 | V271 Q272 L275 A277 S278 L279 E280 L285 V286 Y336 | V271-M282 HydrophobicContact CB-CE 4.24Å; V271-M282 HydrophobicContact CG1-CE 3.84Å; Q272-M282 HydrophobicContact CB-CE 4.24Å; Q272-M282 HydrophobicContact CB-CG 3.86Å; Q272-M282 HydrophobicContact CB-SD 4.08Å; Q272-M282 HydrophobicContact CG-CG 3.7Å; Q272-M282 HydrophobicContact CG-SD 4.3Å; L275-M282 HydrophobicContact CD1-CE 4.45Å; L275-M282 HydrophobicContact CD1-SD 4.09Å; A277-M282 HydrophobicContact CB-CG 4.08Å; A277-M282 HydrophobicContact CB-SD 3.74Å; S278-M282 WeakPolarHBondContact O-CG 3.17Å; S278-M282 PolarHBondContact O-N 3.43Å; L279-M282 PolarHBondContact O-N 3.32Å; E280-M282 VanDerWaalsContact C-N 3.28Å; E280-M282 PolarHBondContact O-N 2.98Å; M282-L285 HydrophobicContact CE-CD2 3.7Å; M282-L285 WeakPolarHBondContact O-CB 3.32Å; M282-L285 PolarHBondContact O-N 3.36Å; M282-L285 HydrophobicContact SD-CD2 3.94Å; M282-V286 WeakPolarHBondContact O-CG2 3.46Å; M282-V286 PolarHBondContact O-N 3.35Å; M282-Y336 HydrophobicContact CB-CD1 3.83Å; M282-Y336 HydrophobicContact CB-CD2 4.07Å; M282-Y336 HydrophobicContact CB-CE1 3.98Å; M282-Y336 HydrophobicContact CB-CE2 4.22Å; M282-Y336 HydrophobicContact CB-CG 3.89Å; M282-Y336 HydrophobicContact CE-CE1 3.8Å; M282-Y336 HydrophobicContact CE-CE2 4.07Å; M282-Y336 WeakPolarHBondContact CE-OH 3.35Å; M282-Y336 HydrophobicContact CG-CD1 4.33Å; M282-Y336 HydrophobicContact CG-CE1 4.15Å |
| 283 | L | 98.5 | Very high | 98.3 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 18% | 0.178 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 173.7 | -75.3 | 166.5 | 0 | 0 | 0 | 111.3 | L279 E280 L285 V286 D287 K333 | L279-L283 WeakPolarHBondContact O-CG 3.47Å; L279-L283 PolarHBondContact O-N 2.84Å; E280-L283 WeakPolarHBondContact O-CB 3.5Å; E280-L283 PolarHBondContact O-N 2.78Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-L285 PolarHBondContact O-N 3.3Å; L283-V286 PolarHBondContact O-N 2.82Å; L283-D287 PolarHBondContact O-N 3.16Å; L283-K333 HydrophobicContact CD2-CG 4.04Å |
| 284 | A | 98.5 | Very high | 98.3 | Very high | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E280 E281 V286 D287 E288 | E280-A284 PolarHBondContact O-N 2.66Å; E281-A284 PolarHBondContact O-N 2.96Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.32Å; A284-D287 PolarHBondContact O-N 3.38Å; A284-E288 PolarHBondContact O-N 3.44Å |
| 285 | L | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 174.9 | 176.1 | 68.1 | 0 | 0 | 0 | 112.5 | L254 R258 L275 E281 M282 L283 D287 E288 V289 | L254-L285 HydrophobicContact CD2-CD2 4.2Å; L254-L285 HydrophobicContact CD2-CG 4Å; R258-L285 HydrophobicContact CG-CD1 3.96Å; R258-L285 HydrophobicContact CG-CD2 4.34Å; L275-L285 HydrophobicContact CD1-CD2 3.78Å; E281-L285 WeakPolarHBondContact O-CB 3.13Å; E281-L285 PolarHBondContact O-N 2.96Å; M282-L285 HydrophobicContact CE-CD2 3.7Å; M282-L285 WeakPolarHBondContact O-CB 3.32Å; M282-L285 PolarHBondContact O-N 3.36Å; M282-L285 HydrophobicContact SD-CD2 3.94Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-L285 PolarHBondContact O-N 3.3Å; L285-D287 VanDerWaalsContact C-N 3.35Å; L285-E288 PolarHBondContact O-N 3.02Å; L285-V289 HydrophobicContact CD1-CG2 3.57Å; L285-V289 HydrophobicContact CG-CG2 4.3Å; L285-V289 WeakPolarHBondContact O-CB 3.4Å; L285-V289 WeakPolarHBondContact O-CG2 3.47Å; L285-V289 PolarHBondContact O-N 2.87Å |
| 286 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | L254 M282 L283 A284 E288 V289 L290 A332 K333 Y336 | L254-V286 HydrophobicContact CD1-CG2 4.24Å; L254-V286 HydrophobicContact CD2-CG2 4.42Å; M282-V286 WeakPolarHBondContact O-CG2 3.46Å; M282-V286 PolarHBondContact O-N 3.35Å; L283-V286 PolarHBondContact O-N 2.82Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.32Å; V286-E288 VanDerWaalsContact C-N 3.29Å; V286-E288 PolarHBondContact O-N 2.82Å; V286-V289 PolarHBondContact O-N 3.12Å; V286-L290 HydrophobicContact CG1-CD1 4.36Å; V286-L290 PolarHBondContact O-N 2.62Å; V286-A332 HydrophobicContact CG1-CB 4.15Å; V286-A332 HydrophobicContact CG2-CB 3.6Å; V286-K333 HydrophobicContact CG1-CB 4.28Å; V286-Y336 HydrophobicContact CG2-CD2 3.73Å; V286-Y336 HydrophobicContact CG2-CE2 3.62Å |
| 287 | D | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -29 | 178.6 | -70.7 | -27.5 | 0 | 0 | 0 | 112.4 | L283 A284 L285 H329 K333 | L283-D287 PolarHBondContact O-N 3.16Å; A284-D287 PolarHBondContact O-N 3.38Å; L285-D287 VanDerWaalsContact C-N 3.35Å; D287-H329 IonicContact OD1-CD2 2.84Å; D287-H329 IonicContact OD1-CE1 3.31Å; D287-H329 PolarHBondContact OD1-CE1 3.3Å; D287-H329 IonicContact OD1-NE2 3.93Å; D287-H329 PolarHBondContact OD1-NE2 3.35Å; D287-K333 VanDerWaalsContact CG-NZ 3.3Å; D287-K333 IonicContact OD1-NZ 3.14Å; D287-K333 PolarHBondContact OD1-NZ 3.28Å; D287-K333 IonicContact OD2-NZ 3.87Å; D287-K333 PolarHBondContact OD2-NZ 3.31Å |
| 288 | E | 98.3 | Very high | 98.2 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.9 | -42.6 | 175 | -177.5 | -170.1 | 148 | 0 | 0 | 112.8 | R258 A284 L285 V286 | R258-E288 IonicContact CZ-OE1 3.61Å; R258-E288 IonicContact CZ-OE2 2.71Å; R258-E288 IonicContact NH1-OE1 3.14Å; R258-E288 PolarHBondContact NH1-OE1 3.37Å; R258-E288 IonicContact NH1-OE2 3.68Å; R258-E288 VanDerWaalsContact NH2-CD 3.29Å; R258-E288 IonicContact NH2-OE1 2.68Å; R258-E288 PolarHBondContact NH2-OE1 3.15Å; R258-E288 IonicContact NH2-OE2 3.79Å; R258-E288 PolarHBondContact NH2-OE2 2.85Å; A284-E288 PolarHBondContact O-N 3.44Å; L285-E288 PolarHBondContact O-N 3.02Å; V286-E288 VanDerWaalsContact C-N 3.29Å; V286-E288 PolarHBondContact O-N 2.82Å |
| 289 | V | 98.3 | Very high | 98.2 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -101.1 | -38.4 | -165.1 | 173 | 0 | 0 | 0 | 0 | 113.4 | L254 A257 L285 V286 | L254-V289 HydrophobicContact CD2-CB 3.98Å; L254-V289 HydrophobicContact CD2-CG1 3.99Å; A257-V289 HydrophobicContact CB-CB 4.32Å; A257-V289 HydrophobicContact CB-CG1 3.38Å; A257-V289 HydrophobicContact CB-CG2 3.89Å; L285-V289 HydrophobicContact CD1-CG2 3.57Å; L285-V289 HydrophobicContact CG-CG2 4.3Å; L285-V289 WeakPolarHBondContact O-CB 3.4Å; L285-V289 WeakPolarHBondContact O-CG2 3.47Å; L285-V289 PolarHBondContact O-N 2.87Å; V286-V289 PolarHBondContact O-N 3.12Å |
| 290 | L | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -102.9 | 119.4 | -174.7 | -57.2 | 178.7 | 0 | 0 | 0 | 109.1 | A250 M253 L254 V286 Y295 L328 H329 A332 | A250-L290 HydrophobicContact CB-CD1 4.17Å; M253-L290 HydrophobicContact CB-CD2 3.75Å; L254-L290 HydrophobicContact CD1-CD1 4.43Å; L254-L290 HydrophobicContact CD2-CD1 4.05Å; L254-L290 HydrophobicContact CD2-CD2 4.48Å; L254-L290 HydrophobicContact CD2-CG 3.98Å; L254-L290 HydrophobicContact CG-CD1 4.15Å; L254-L290 HydrophobicContact CG-CG 4.45Å; V286-L290 HydrophobicContact CG1-CD1 4.36Å; V286-L290 PolarHBondContact O-N 2.62Å; L290-Y295 WeakPolarHBondContact CA-OH 3.37Å; L290-L328 HydrophobicContact CD1-CB 4.23Å; L290-H329 HydrophobicContact CB-CB 3.94Å; L290-H329 PolarHBondContact O-CD2 3.21Å; L290-A332 HydrophobicContact CD1-CB 4.01Å |
| 291 | H | 98.5 | Very high | 98.2 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | trans | -72.9 | 153 | 174 | 67.1 | 59.6 | 0 | 0 | 0 | 110.9 | E293 Y295 E299 H329 | H291-E293 PolarHBondContact CE1-O 3.34Å; H291-E293 PolarHBondContact ND1-N 3.02Å; H291-E293 PolarHBondContact ND1-O 3.18Å; H291-E293 PolarHBondContact O-N 2.79Å; H291-Y295 AromaticContact CD2-CE1 3.71Å; H291-Y295 AromaticContact CD2-CZ 3.4Å; H291-Y295 PolarHBondContact CD2-OH 2.94Å; H291-Y295 AromaticContact CE1-CD1 3.94Å; H291-Y295 AromaticContact CE1-CD2 3.63Å; H291-Y295 AromaticContact CE1-CE1 3.71Å; H291-Y295 AromaticContact CE1-CE2 3.41Å; H291-Y295 VanDerWaalsContact CE1-CE2 3.41Å; H291-Y295 WeakPolarHBondContact CE1-CE2 3.35Å; H291-Y295 AromaticContact CE1-CG 3.9Å; H291-Y295 AromaticContact CE1-CZ 3.44Å; H291-Y295 VanDerWaalsContact CE1-CZ 3.44Å; H291-Y295 AromaticContact CG-CE2 3.94Å; H291-Y295 AromaticContact CG-CZ 3.67Å; H291-Y295 PolarHBondContact N-OH 3.04Å; H291-Y295 AromaticContact ND1-CE2 3.52Å; H291-Y295 AromaticContact ND1-CZ 3.69Å; H291-Y295 AromaticContact NE2-CD1 3.71Å; H291-Y295 AromaticContact NE2-CE1 3.22Å; H291-Y295 WeakPolarHBondContact NE2-CE1 3.16Å; H291-Y295 AromaticContact NE2-CE2 3.75Å; H291-Y295 AromaticContact NE2-CZ 3.25Å; H291-E299 IonicContact CD2-OE1 3.5Å; H291-E299 IonicContact CE1-OE2 3.69Å; H291-E299 IonicContact NE2-OE1 3.01Å; H291-E299 PolarHBondContact NE2-OE1 2.71Å; H291-E299 IonicContact NE2-OE2 2.77Å; H291-H329 WeakPolarHBondContact O-CB 3.3Å | ||
| 292 | P | 98.1 | Very high | 98.1 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72.9 | -24.1 | -174.5 | 27.5 | -35.5 | 0 | 0 | 0 | 114.1 | Q330 | P292-Q330 PolarHBondContact O-NE2 2.94Š|
| 293 | E | 98.3 | Very high | 98 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 61% | 0.612 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -69.4 | 151.5 | 179.4 | -61 | -52.4 | 133.4 | 0 | 0 | 111.9 | H291 Y295 | H291-E293 PolarHBondContact CE1-O 3.34Å; H291-E293 PolarHBondContact ND1-N 3.02Å; H291-E293 PolarHBondContact ND1-O 3.18Å; H291-E293 PolarHBondContact O-N 2.79Å; E293-Y295 PolarHBondContact O-N 3.22Å |
| 294 | P | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 57.9 Ų | 57.9 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.2 | 175.6 | -21.6 | 32.5 | 0 | 0 | 0 | 112.1 | N325 K327 | P294-N325 HydrophobicContact CB-CB 4.09Å; P294-K327 HydrophobicContact CB-CG 4.43Å; P294-K327 HydrophobicContact CG-CG 4.26Å |
| 295 | Y | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 137.3 | 176.7 | -77.5 | -98 | 0 | 0 | 0 | 111.2 | M253 L290 H291 E293 E299 I300 N325 F326 L328 | M253-Y295 HydrophobicContact CE-CD1 3.97Å; M253-Y295 HydrophobicContact CE-CE1 3.5Å; L290-Y295 WeakPolarHBondContact CA-OH 3.37Å; H291-Y295 AromaticContact CD2-CE1 3.71Å; H291-Y295 AromaticContact CD2-CZ 3.4Å; H291-Y295 PolarHBondContact CD2-OH 2.94Å; H291-Y295 AromaticContact CE1-CD1 3.94Å; H291-Y295 AromaticContact CE1-CD2 3.63Å; H291-Y295 AromaticContact CE1-CE1 3.71Å; H291-Y295 AromaticContact CE1-CE2 3.41Å; H291-Y295 VanDerWaalsContact CE1-CE2 3.41Å; H291-Y295 WeakPolarHBondContact CE1-CE2 3.35Å; H291-Y295 AromaticContact CE1-CG 3.9Å; H291-Y295 AromaticContact CE1-CZ 3.44Å; H291-Y295 VanDerWaalsContact CE1-CZ 3.44Å; H291-Y295 AromaticContact CG-CE2 3.94Å; H291-Y295 AromaticContact CG-CZ 3.67Å; H291-Y295 PolarHBondContact N-OH 3.04Å; H291-Y295 AromaticContact ND1-CE2 3.52Å; H291-Y295 AromaticContact ND1-CZ 3.69Å; H291-Y295 AromaticContact NE2-CD1 3.71Å; H291-Y295 AromaticContact NE2-CE1 3.22Å; H291-Y295 WeakPolarHBondContact NE2-CE1 3.16Å; H291-Y295 AromaticContact NE2-CE2 3.75Å; H291-Y295 AromaticContact NE2-CZ 3.25Å; E293-Y295 PolarHBondContact O-N 3.22Å; Y295-E299 HydrophobicContact CD1-CG 3.84Å; Y295-E299 WeakPolarHBondContact CD1-OE2 3.37Å; Y295-E299 HydrophobicContact CE1-CG 4.27Å; Y295-E299 WeakPolarHBondContact CE1-OE1 3.45Å; Y295-I300 HydrophobicContact CD1-CG1 4.42Å; Y295-N325 CarbonylContact O-C 3.5Å; Y295-N325 VanDerWaalsContact O-CA 3.31Å; Y295-N325 WeakPolarHBondContact O-CA 3.35Å; Y295-F326 PolarHBondContact N-O 3.04Å; Y295-F326 PolarHBondContact O-N 3.33Å; Y295-L328 HydrophobicContact CD1-CD1 4.18Å; Y295-L328 HydrophobicContact CD2-CB 3.98Å; Y295-L328 HydrophobicContact CD2-CD1 3.62Å; Y295-L328 HydrophobicContact CD2-CG 3.66Å; Y295-L328 HydrophobicContact CE2-CB 4.13Å; Y295-L328 HydrophobicContact CE2-CD1 4.03Å; Y295-L328 HydrophobicContact CE2-CG 4.24Å; Y295-L328 HydrophobicContact CG-CD1 3.69Å; Y295-L328 HydrophobicContact CG-CG 4.09Å |
| 296 | S | 98.1 | Very high | 97.7 | Very high | 40 Ų | 40 | 59.6 Ų | 59.6 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 160.1 | 170.9 | 76.6 | 0 | 0 | 0 | 0 | 111.9 | E298 E299 I300 | S296-E298 VanDerWaalsContact C-N 3.26Å; S296-E298 PolarHBondContact O-N 2.84Å; S296-E299 PolarHBondContact O-N 3.41Å; S296-E299 WeakPolarHBondContact OG-CB 3.07Å; S296-E299 PolarHBondContact OG-N 3.07Å; S296-E299 VanDerWaalsContact OG-N 3.14Å; S296-I300 WeakPolarHBondContact O-CD1 3.48Å; S296-I300 WeakPolarHBondContact O-CG1 3.44Å; S296-I300 PolarHBondContact O-N 2.89Å |
| 297 | C | 96.8 | Very high | 97.6 | Very high | 34 Ų | 34 | 62.1 Ų | 62.1 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.9 | -41.8 | 172.7 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | E299 I300 C301 M311 | C297-E299 VanDerWaalsContact C-N 3.34Å; C297-E299 PolarHBondContact O-N 3.47Å; C297-I300 PolarHBondContact O-N 2.97Å; C297-C301 WeakPolarHBondContact O-CB 3.49Å; C297-C301 PolarHBondContact O-N 3.48Å; C297-C301 PolarHBondContact O-SG 2.93Å; C297-M311 HydrophobicContact CB-CE 4.02Å; C297-M311 HydrophobicContact CB-SD 3.84Å |
| 298 | E | 96.7 | Very high | 97.3 | Very high | 163 Ų | 163 | 62.5 Ų | 62.5 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | -179.4 | -65.6 | 176.3 | -175.4 | 0 | 0 | 111.5 | S296 C301 K302 | S296-E298 VanDerWaalsContact C-N 3.26Å; S296-E298 PolarHBondContact O-N 2.84Å; E298-C301 PolarHBondContact O-N 3.17Å; E298-K302 VanDerWaalsContact O-CB 3.31Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 PolarHBondContact O-N 2.56Å |
| 299 | E | 98.1 | Very high | 97 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.2 | -48 | 177 | -179 | 173.4 | -165.3 | 0 | 0 | 111.7 | H291 Y295 S296 C297 C301 K302 V303 | H291-E299 IonicContact CD2-OE1 3.5Å; H291-E299 IonicContact CE1-OE2 3.69Å; H291-E299 IonicContact NE2-OE1 3.01Å; H291-E299 PolarHBondContact NE2-OE1 2.71Å; H291-E299 IonicContact NE2-OE2 2.77Å; Y295-E299 HydrophobicContact CD1-CG 3.84Å; Y295-E299 WeakPolarHBondContact CD1-OE2 3.37Å; Y295-E299 HydrophobicContact CE1-CG 4.27Å; Y295-E299 WeakPolarHBondContact CE1-OE1 3.45Å; S296-E299 PolarHBondContact O-N 3.41Å; S296-E299 WeakPolarHBondContact OG-CB 3.07Å; S296-E299 PolarHBondContact OG-N 3.07Å; S296-E299 VanDerWaalsContact OG-N 3.14Å; C297-E299 VanDerWaalsContact C-N 3.34Å; C297-E299 PolarHBondContact O-N 3.47Å; E299-C301 VanDerWaalsContact C-N 3.33Å; E299-C301 PolarHBondContact O-N 2.97Å; E299-K302 WeakPolarHBondContact O-CB 3.37Å; E299-K302 PolarHBondContact O-N 3.02Å; E299-V303 HydrophobicContact CG-CG2 4.46Å; E299-V303 WeakPolarHBondContact O-CG2 3.39Å; E299-V303 PolarHBondContact O-N 3.44Å |
| 300 | I | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 178 | -68.5 | 158.9 | 0 | 0 | 0 | 110.3 | I249 Y295 S296 C297 K302 V303 L304 M311 F326 L328 | I249-I300 HydrophobicContact CD1-CD1 4.31Å; I249-I300 HydrophobicContact CG2-CD1 3.93Å; I249-I300 HydrophobicContact CG2-CG1 4.04Å; I249-I300 HydrophobicContact CG2-CG2 3.76Å; Y295-I300 HydrophobicContact CD1-CG1 4.42Å; S296-I300 WeakPolarHBondContact O-CD1 3.48Å; S296-I300 WeakPolarHBondContact O-CG1 3.44Å; S296-I300 PolarHBondContact O-N 2.89Å; C297-I300 PolarHBondContact O-N 2.97Å; I300-K302 VanDerWaalsContact C-N 3.32Å; I300-K302 PolarHBondContact O-N 3.32Å; I300-V303 PolarHBondContact O-N 3.3Å; I300-L304 HydrophobicContact CG2-CD1 3.76Å; I300-L304 HydrophobicContact CG2-CG 4.37Å; I300-L304 WeakPolarHBondContact O-CB 3.34Å; I300-L304 WeakPolarHBondContact O-CG 3.29Å; I300-L304 PolarHBondContact O-N 3.15Å; I300-M311 HydrophobicContact CB-CE 4.5Å; I300-M311 HydrophobicContact CD1-CE 4.01Å; I300-M311 HydrophobicContact CG2-CE 4.38Å; I300-M311 HydrophobicContact CG2-SD 4.35Å; I300-F326 HydrophobicContact CD1-CB 4.16Å; I300-F326 HydrophobicContact CD1-CD2 3.4Å; I300-F326 VanDerWaalsContact CD1-CD2 3.4Å; I300-F326 HydrophobicContact CD1-CE2 4.05Å; I300-F326 HydrophobicContact CD1-CG 3.95Å; I300-L328 HydrophobicContact CG1-CD1 4.47Å |
| 301 | C | 97.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 177.8 | -71.4 | 0 | 0 | 0 | 0 | 111.5 | C297 E298 E299 G305 I306 M311 | C297-C301 WeakPolarHBondContact O-CB 3.49Å; C297-C301 PolarHBondContact O-N 3.48Å; C297-C301 PolarHBondContact O-SG 2.93Å; E298-C301 PolarHBondContact O-N 3.17Å; E299-C301 VanDerWaalsContact C-N 3.33Å; E299-C301 PolarHBondContact O-N 2.97Å; C301-G305 WeakPolarHBondContact O-CA 3.42Å; C301-G305 PolarHBondContact O-N 3.09Å; C301-I306 HydrophobicContact CB-CG1 4.43Å; C301-I306 WeakPolarHBondContact CB-O 3.46Å; C301-I306 PolarHBondContact O-N 3.42Å; C301-M311 VanDerWaalsContact SG-SD 3.64Å |
| 302 | K | 97.6 | Very high | 96.2 | Very high | 180 Ų | 180 | 64 Ų | 64 | 78% | 0.783 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 178.3 | -177.2 | -177.4 | 177.7 | -175.3 | 0 | 112.4 | E298 E299 I300 | E298-K302 VanDerWaalsContact O-CB 3.31Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 PolarHBondContact O-N 2.56Å; E299-K302 WeakPolarHBondContact O-CB 3.37Å; E299-K302 PolarHBondContact O-N 3.02Å; I300-K302 VanDerWaalsContact C-N 3.32Å; I300-K302 PolarHBondContact O-N 3.32Å |
| 303 | V | 96.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 65.5 Ų | 65.5 | 39% | 0.394 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | -178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | M253 E299 I300 G305 | M253-V303 HydrophobicContact CE-CB 4.02Å; M253-V303 HydrophobicContact CE-CG1 3.75Å; M253-V303 HydrophobicContact CE-CG2 4.14Å; M253-V303 HydrophobicContact SD-CB 3.87Å; M253-V303 HydrophobicContact SD-CG1 3.6Å; M253-V303 VanDerWaalsContact SD-CG1 3.6Å; E299-V303 HydrophobicContact CG-CG2 4.46Å; E299-V303 WeakPolarHBondContact O-CG2 3.39Å; E299-V303 PolarHBondContact O-N 3.44Å; I300-V303 PolarHBondContact O-N 3.3Å; V303-G305 VanDerWaalsContact C-N 3.32Å |
| 304 | L | 96.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -77.4 | -20.3 | -179.5 | -63.2 | -178.4 | 0 | 0 | 0 | 112.8 | K252 M253 K256 I300 I306 L315 | K252-L304 HydrophobicContact CB-CD1 3.94Å; K252-L304 HydrophobicContact CB-CD2 3.83Å; M253-L304 HydrophobicContact CG-CD2 4.36Å; M253-L304 HydrophobicContact SD-CD2 3.95Å; M253-L304 HydrophobicContact SD-CG 4.03Å; K256-L304 HydrophobicContact CB-CD2 4.26Å; I300-L304 HydrophobicContact CG2-CD1 3.76Å; I300-L304 HydrophobicContact CG2-CG 4.37Å; I300-L304 WeakPolarHBondContact O-CB 3.34Å; I300-L304 WeakPolarHBondContact O-CG 3.29Å; I300-L304 PolarHBondContact O-N 3.15Å; L304-I306 HydrophobicContact CB-CD1 4.2Å; L304-I306 HydrophobicContact CB-CG1 4.05Å; L304-I306 HydrophobicContact CB-CG2 4.17Å; L304-I306 HydrophobicContact CD1-CD1 4.03Å; L304-L315 HydrophobicContact CD1-CD1 3.85Å |
| 305 | G | 96 | Very high | 95.2 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 67% | 0.67 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 37.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C301 V303 | C301-G305 WeakPolarHBondContact O-CA 3.42Å; C301-G305 PolarHBondContact O-N 3.09Å; V303-G305 VanDerWaalsContact C-N 3.32Å |
| 306 | I | 95.8 | Very high | 95 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.195 | 35% | 0.345 | C | S | . | . | trans | -117.2 | 158.1 | -179 | 65.9 | 176.9 | 0 | 0 | 0 | 110.8 | C301 L304 Q310 M311 L315 | C301-I306 HydrophobicContact CB-CG1 4.43Å; C301-I306 WeakPolarHBondContact CB-O 3.46Å; C301-I306 PolarHBondContact O-N 3.42Å; L304-I306 HydrophobicContact CB-CD1 4.2Å; L304-I306 HydrophobicContact CB-CG1 4.05Å; L304-I306 HydrophobicContact CB-CG2 4.17Å; L304-I306 HydrophobicContact CD1-CD1 4.03Å; I306-Q310 HydrophobicContact CB-CB 4.08Å; I306-M311 HydrophobicContact CD1-CB 4.09Å; I306-L315 HydrophobicContact CD1-CD1 3.63Å; I306-L315 HydrophobicContact CD1-CG 4.48Å | ||
| 307 | S | 95.8 | Very high | 94.7 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | trans | -79 | 161.8 | 172.1 | 78 | 0 | 0 | 0 | 0 | 112 | E309 Q310 M311 | S307-E309 PolarHBondContact O-N 2.95Å; S307-E309 PolarHBondContact OG-N 3.39Å; S307-Q310 PolarHBondContact O-N 3.13Å; S307-Q310 VanDerWaalsContact O-N 3.16Å; S307-Q310 WeakPolarHBondContact OG-CG 3.39Å; S307-Q310 PolarHBondContact OG-N 3.33Å; S307-Q310 VanDerWaalsContact OG-N 3.12Å; S307-M311 PolarHBondContact O-N 3.47Å | ||
| 308 | T | 92.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 62.7 Ų | 62.7 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58 | -35.1 | 171.7 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | M311 C312 | T308-M311 PolarHBondContact O-N 3.24Å; T308-C312 PolarHBondContact O-N 3.29Å; T308-C312 PolarHBondContact O-SG 3.37Å |
| 309 | E | 93.3 | Very high | 94.1 | Very high | 147 Ų | 147 | 57.4 Ų | 57.4 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 176.4 | -175 | 178.9 | -175 | 0 | 0 | 111.7 | S307 C312 T313 | S307-E309 PolarHBondContact O-N 2.95Å; S307-E309 PolarHBondContact OG-N 3.39Å; E309-C312 PolarHBondContact O-N 2.98Å; E309-T313 WeakPolarHBondContact O-CB 3.38Å; E309-T313 WeakPolarHBondContact O-CG2 3.29Å; E309-T313 PolarHBondContact O-N 3.2Å; E309-T313 PolarHBondContact O-OG1 2.69Å |
| 310 | Q | 93.7 | Very high | 94 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 174.4 | -69.5 | 178.6 | -70.5 | 0 | 0 | 111.3 | I306 S307 C312 T313 E314 | I306-Q310 HydrophobicContact CB-CB 4.08Å; S307-Q310 PolarHBondContact O-N 3.13Å; S307-Q310 VanDerWaalsContact O-N 3.16Å; S307-Q310 WeakPolarHBondContact OG-CG 3.39Å; S307-Q310 PolarHBondContact OG-N 3.33Å; S307-Q310 VanDerWaalsContact OG-N 3.12Å; Q310-C312 VanDerWaalsContact C-N 3.35Å; Q310-C312 PolarHBondContact O-N 3.4Å; Q310-T313 PolarHBondContact O-N 3.04Å; Q310-E314 WeakPolarHBondContact O-CB 3.44Å; Q310-E314 WeakPolarHBondContact O-CG 3.49Å; Q310-E314 PolarHBondContact O-N 2.81Å |
| 311 | M | 93.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -58.2 | -47.9 | 173.8 | -179.5 | 173 | 179.3 | 0 | 0 | 111.3 | I249 C297 I300 C301 I306 S307 T308 T313 L315 L316 F326 | I249-M311 HydrophobicContact CD1-CE 4.31Å; C297-M311 HydrophobicContact CB-CE 4.02Å; C297-M311 HydrophobicContact CB-SD 3.84Å; I300-M311 HydrophobicContact CB-CE 4.5Å; I300-M311 HydrophobicContact CD1-CE 4.01Å; I300-M311 HydrophobicContact CG2-CE 4.38Å; I300-M311 HydrophobicContact CG2-SD 4.35Å; C301-M311 VanDerWaalsContact SG-SD 3.64Å; I306-M311 HydrophobicContact CD1-CB 4.09Å; S307-M311 PolarHBondContact O-N 3.47Å; T308-M311 PolarHBondContact O-N 3.24Å; M311-T313 VanDerWaalsContact C-N 3.35Å; M311-T313 PolarHBondContact O-N 3.18Å; M311-L315 HydrophobicContact CG-CD1 4.4Å; M311-L315 WeakPolarHBondContact O-CA 3.08Å; M311-L315 WeakPolarHBondContact O-CB 3.4Å; M311-L315 PolarHBondContact O-N 3.25Å; M311-L316 HydrophobicContact CE-CD2 4.13Å; M311-L316 HydrophobicContact CG-CD1 4.49Å; M311-L316 HydrophobicContact CG-CG 4.27Å; M311-L316 PolarHBondContact O-N 3Å; M311-F326 HydrophobicContact CE-CD2 4.3Å; M311-F326 HydrophobicContact CE-CE2 3.49Å; M311-F326 VanDerWaalsContact CE-CE2 3.49Å; M311-F326 HydrophobicContact CE-CZ 3.72Å |
| 312 | C | 91.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -64.8 | -34.4 | -179.8 | -72.8 | 0 | 0 | 0 | 0 | 113.9 | T308 E309 Q310 | T308-C312 PolarHBondContact O-N 3.29Å; T308-C312 PolarHBondContact O-SG 3.37Å; E309-C312 PolarHBondContact O-N 2.98Å; Q310-C312 VanDerWaalsContact C-N 3.35Å; Q310-C312 PolarHBondContact O-N 3.4Å |
| 313 | T | 90.3 | Very high | 93.5 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | I | π-helix | trans | -95 | -29.6 | -174.5 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | E309 Q310 M311 | E309-T313 WeakPolarHBondContact O-CB 3.38Å; E309-T313 WeakPolarHBondContact O-CG2 3.29Å; E309-T313 PolarHBondContact O-N 3.2Å; E309-T313 PolarHBondContact O-OG1 2.69Å; Q310-T313 PolarHBondContact O-N 3.04Å; M311-T313 VanDerWaalsContact C-N 3.35Å; M311-T313 PolarHBondContact O-N 3.18Å |
| 314 | E | 90.4 | Very high | 93.3 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -106.1 | -27.8 | -174.5 | -56.2 | 178.3 | -158.9 | 0 | 0 | 113.6 | Q310 | Q310-E314 WeakPolarHBondContact O-CB 3.44Å; Q310-E314 WeakPolarHBondContact O-CG 3.49Å; Q310-E314 PolarHBondContact O-N 2.81Å |
| 315 | L | 93 | Very high | 93.3 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -110.8 | -41.7 | -174.6 | -57.7 | -177.6 | 0 | 0 | 0 | 113.1 | R248 I249 K252 L304 I306 M311 | R248-L315 WeakPolarHBondContact CD-O 3.32Å; R248-L315 HydrophobicContact CG-CD2 4.46Å; R248-L315 PolarHBondContact NH1-O 2.78Å; I249-L315 HydrophobicContact CG1-CB 4.36Å; I249-L315 HydrophobicContact CG1-CD1 4.33Å; K252-L315 HydrophobicContact CD-CD2 4.44Å; K252-L315 HydrophobicContact CG-CD2 3.92Å; L304-L315 HydrophobicContact CD1-CD1 3.85Å; I306-L315 HydrophobicContact CD1-CD1 3.63Å; I306-L315 HydrophobicContact CD1-CG 4.48Å; M311-L315 HydrophobicContact CG-CD1 4.4Å; M311-L315 WeakPolarHBondContact O-CA 3.08Å; M311-L315 WeakPolarHBondContact O-CB 3.4Å; M311-L315 PolarHBondContact O-N 3.25Å |
| 316 | L | 94.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | trans | -84.6 | 149.6 | 179.8 | -54.5 | -174 | 0 | 0 | 0 | 111.5 | V245 I249 M311 F326 | V245-L316 HydrophobicContact CG1-CD2 3.49Å; V245-L316 VanDerWaalsContact CG1-CD2 3.49Å; I249-L316 HydrophobicContact CD1-CD2 4.43Å; M311-L316 HydrophobicContact CE-CD2 4.13Å; M311-L316 HydrophobicContact CG-CD1 4.49Å; M311-L316 HydrophobicContact CG-CG 4.27Å; M311-L316 PolarHBondContact O-N 3Å; L316-F326 HydrophobicContact CD2-CE1 3.89Å; L316-F326 HydrophobicContact CD2-CZ 3.74Å | ||
| 317 | S | 91.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | trans | -93.5 | 159 | 169 | -50.2 | 0 | 0 | 0 | 0 | 110.2 | E185 N319 T320 Q321 | E185-S317 VanDerWaalsContact OE1-CB 3.29Å; E185-S317 WeakPolarHBondContact OE1-CB 3.48Å; E185-S317 PolarHBondContact OE1-OG 3.29Å; E185-S317 PolarHBondContact OE2-OG 3.32Å; S317-N319 VanDerWaalsContact C-N 3.28Å; S317-N319 PolarHBondContact O-N 3.36Å; S317-N319 VanDerWaalsContact O-N 3.16Å; S317-T320 WeakPolarHBondContact CA-OG1 3.18Å; S317-T320 PolarHBondContact N-OG1 2.93Å; S317-T320 PolarHBondContact O-N 3.47Å; S317-T320 PolarHBondContact O-OG1 3.47Å; S317-Q321 PolarHBondContact O-N 3.37Å | ||
| 318 | A | 89.6 | Confident | 93.7 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 60% | 0.603 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -49.2 | -46.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T320 | A318-T320 VanDerWaalsContact C-N 3.27Å; A318-T320 PolarHBondContact O-N 3.17Å |
| 319 | N | 91 | Very high | 94 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -86.3 | 16.3 | 179.2 | 72 | -21.4 | 0 | 0 | 0 | 114.4 | S238 N241 S317 H322 | S238-N319 VanDerWaalsContact CB-O 3.28Å; S238-N319 WeakPolarHBondContact CB-O 3.41Å; N241-N319 WeakPolarHBondContact CB-OD1 3.46Å; N241-N319 PolarHBondContact ND2-ND2 3.1Å; N241-N319 VanDerWaalsContact ND2-ND2 3.12Å; N241-N319 PolarHBondContact ND2-OD1 3.39Å; S317-N319 VanDerWaalsContact C-N 3.28Å; S317-N319 PolarHBondContact O-N 3.36Å; S317-N319 VanDerWaalsContact O-N 3.16Å; N319-H322 PolarHBondContact O-CE1 3.39Å; N319-H322 PolarHBondContact O-ND1 2.99Å |
| 320 | T | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -124.7 | 0.6 | 177.5 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | N241 I242 V245 S317 A318 H322 V323 | N241-T320 HydrophobicContact CB-CG2 3.76Å; I242-T320 HydrophobicContact CG1-CG2 4.05Å; V245-T320 HydrophobicContact CG2-CG2 4.14Å; S317-T320 WeakPolarHBondContact CA-OG1 3.18Å; S317-T320 PolarHBondContact N-OG1 2.93Å; S317-T320 PolarHBondContact O-N 3.47Å; S317-T320 PolarHBondContact O-OG1 3.47Å; A318-T320 VanDerWaalsContact C-N 3.27Å; A318-T320 PolarHBondContact O-N 3.17Å; T320-H322 PolarHBondContact O-N 3.02Å; T320-H322 VanDerWaalsContact O-N 3.14Å; T320-V323 WeakPolarHBondContact O-CB 3.4Å; T320-V323 VanDerWaalsContact O-CG2 3.24Å; T320-V323 WeakPolarHBondContact O-CG2 3.28Å; T320-V323 PolarHBondContact O-N 2.94Å |
| 321 | Q | 93.6 | Very high | 94.6 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21 | -179.7 | -65 | -174.9 | 3.6 | 0 | 0 | 113.8 | S317 V323 | S317-Q321 PolarHBondContact O-N 3.37Å; Q321-V323 VanDerWaalsContact C-N 3.28Å; Q321-V323 PolarHBondContact O-N 3.05Å |
| 322 | H | 93.2 | Very high | 94.8 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 57% | 0.569 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -6.9 | 177.2 | 63.2 | -91.4 | 0 | 0 | 0 | 113.7 | N319 T320 | N319-H322 PolarHBondContact O-CE1 3.39Å; N319-H322 PolarHBondContact O-ND1 2.99Å; T320-H322 PolarHBondContact O-N 3.02Å; T320-H322 VanDerWaalsContact O-N 3.14Å |
| 323 | V | 95.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | trans | -82.7 | 128.5 | -174.9 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | I242 T320 Q321 N325 F326 | I242-V323 HydrophobicContact CD1-CG2 3.85Å; I242-V323 HydrophobicContact CG1-CG2 3.76Å; T320-V323 WeakPolarHBondContact O-CB 3.4Å; T320-V323 VanDerWaalsContact O-CG2 3.24Å; T320-V323 WeakPolarHBondContact O-CG2 3.28Å; T320-V323 PolarHBondContact O-N 2.94Å; Q321-V323 VanDerWaalsContact C-N 3.28Å; Q321-V323 PolarHBondContact O-N 3.05Å; V323-N325 WeakPolarHBondContact CG1-O 3.33Å; V323-F326 HydrophobicContact CB-CE1 4.16Å; V323-F326 HydrophobicContact CB-CZ 4.06Å; V323-F326 HydrophobicContact CG1-CD1 4.19Å; V323-F326 HydrophobicContact CG1-CE1 3.69Å; V323-F326 HydrophobicContact CG1-CE2 4.41Å; V323-F326 HydrophobicContact CG1-CZ 3.81Å | ||
| 324 | T | 93.9 | Very high | 95.6 | Very high | 89 Ų | 89 | 42 Ų | 42 | 55% | 0.546 | 22% | 0.22 | S | C | . | . | trans | -109 | -15.9 | -176.4 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 325 | N | 96.8 | Very high | 96 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.2 | -174.8 | -62.8 | -70 | 0 | 0 | 0 | 110.8 | P294 Y295 V323 | P294-N325 HydrophobicContact CB-CB 4.09Å; Y295-N325 CarbonylContact O-C 3.5Å; Y295-N325 VanDerWaalsContact O-CA 3.31Å; Y295-N325 WeakPolarHBondContact O-CA 3.35Å; V323-N325 WeakPolarHBondContact CG1-O 3.33Å |
| 326 | F | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.5 | -173.7 | -57.1 | -91.1 | 0 | 0 | 0 | 111.9 | V245 E246 I249 Y295 I300 M311 L316 V323 L328 | V245-F326 HydrophobicContact CG1-CD1 4.34Å; V245-F326 HydrophobicContact CG1-CE1 3.84Å; E246-F326 HydrophobicContact CG-CB 4.2Å; E246-F326 HydrophobicContact CG-CD1 4.01Å; I249-F326 HydrophobicContact CD1-CD1 3.61Å; I249-F326 HydrophobicContact CD1-CD2 4.46Å; I249-F326 HydrophobicContact CD1-CE1 3.74Å; I249-F326 HydrophobicContact CD1-CG 4.01Å; I249-F326 HydrophobicContact CD1-CZ 4.24Å; Y295-F326 PolarHBondContact N-O 3.04Å; Y295-F326 PolarHBondContact O-N 3.33Å; I300-F326 HydrophobicContact CD1-CB 4.16Å; I300-F326 HydrophobicContact CD1-CD2 3.4Å; I300-F326 VanDerWaalsContact CD1-CD2 3.4Å; I300-F326 HydrophobicContact CD1-CE2 4.05Å; I300-F326 HydrophobicContact CD1-CG 3.95Å; M311-F326 HydrophobicContact CE-CD2 4.3Å; M311-F326 HydrophobicContact CE-CE2 3.49Å; M311-F326 VanDerWaalsContact CE-CE2 3.49Å; M311-F326 HydrophobicContact CE-CZ 3.72Å; L316-F326 HydrophobicContact CD2-CE1 3.89Å; L316-F326 HydrophobicContact CD2-CZ 3.74Å; V323-F326 HydrophobicContact CB-CE1 4.16Å; V323-F326 HydrophobicContact CB-CZ 4.06Å; V323-F326 HydrophobicContact CG1-CD1 4.19Å; V323-F326 HydrophobicContact CG1-CE1 3.69Å; V323-F326 HydrophobicContact CG1-CE2 4.41Å; V323-F326 HydrophobicContact CG1-CZ 3.81Å; F326-L328 HydrophobicContact CB-CD2 3.7Å; F326-L328 HydrophobicContact CB-CG 4.25Å; F326-L328 PolarHBondContact O-N 2.95Å |
| 327 | K | 98.7 | Very high | 96.5 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 27% | 0.27 | 19% | 0.193 | S | C | . | . | trans | -91.5 | 71.5 | -179.8 | -63.7 | -158.1 | -166.3 | 175.4 | 0 | 111.8 | E246 P294 R331 E376 | E246-K327 PolarHBondContact OE1-N 3.25Å; P294-K327 HydrophobicContact CB-CG 4.43Å; P294-K327 HydrophobicContact CG-CG 4.26Å; K327-R331 WeakPolarHBondContact O-CB 3.35Å; K327-R331 WeakPolarHBondContact O-CD 3.4Å; K327-R331 WeakPolarHBondContact O-CG 3.39Å; K327-R331 PolarHBondContact O-N 2.87Å; K327-E376 WeakPolarHBondContact CD-OE2 3.34Å; K327-E376 WeakPolarHBondContact CE-OE2 3.29Å; K327-E376 IonicContact NZ-OE1 3.69Å; K327-E376 PolarHBondContact NZ-OE1 3.37Å; K327-E376 IonicContact NZ-OE2 3.15Å; K327-E376 PolarHBondContact NZ-OE2 2.85Å | ||
| 328 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66 | -45 | -171.2 | -52.8 | -174.5 | 0 | 0 | 0 | 113 | E246 I249 A250 M253 L290 Y295 I300 F326 R331 A332 | E246-L328 HydrophobicContact CB-CD2 4.48Å; E246-L328 WeakPolarHBondContact O-CD2 3.21Å; I249-L328 HydrophobicContact CB-CD2 3.78Å; I249-L328 HydrophobicContact CG2-CD1 3.67Å; I249-L328 HydrophobicContact CG2-CD2 3.69Å; I249-L328 HydrophobicContact CG2-CG 4.36Å; A250-L328 HydrophobicContact CB-CB 4.13Å; A250-L328 HydrophobicContact CB-CD2 4.47Å; M253-L328 HydrophobicContact CE-CD1 4.33Å; M253-L328 HydrophobicContact CG-CD1 3.91Å; L290-L328 HydrophobicContact CD1-CB 4.23Å; Y295-L328 HydrophobicContact CD1-CD1 4.18Å; Y295-L328 HydrophobicContact CD2-CB 3.98Å; Y295-L328 HydrophobicContact CD2-CD1 3.62Å; Y295-L328 HydrophobicContact CD2-CG 3.66Å; Y295-L328 HydrophobicContact CE2-CB 4.13Å; Y295-L328 HydrophobicContact CE2-CD1 4.03Å; Y295-L328 HydrophobicContact CE2-CG 4.24Å; Y295-L328 HydrophobicContact CG-CD1 3.69Å; Y295-L328 HydrophobicContact CG-CG 4.09Å; I300-L328 HydrophobicContact CG1-CD1 4.47Å; F326-L328 HydrophobicContact CB-CD2 3.7Å; F326-L328 HydrophobicContact CB-CG 4.25Å; F326-L328 PolarHBondContact O-N 2.95Å; L328-R331 PolarHBondContact O-N 2.68Å; L328-A332 WeakPolarHBondContact O-CB 3.1Å; L328-A332 PolarHBondContact O-N 3.14Å |
| 329 | H | 98.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -53.9 | -177.4 | 173.1 | -88.7 | 0 | 0 | 0 | 111.7 | D287 L290 H291 R331 A332 K333 | D287-H329 IonicContact OD1-CD2 2.84Å; D287-H329 IonicContact OD1-CE1 3.31Å; D287-H329 PolarHBondContact OD1-CE1 3.3Å; D287-H329 IonicContact OD1-NE2 3.93Å; D287-H329 PolarHBondContact OD1-NE2 3.35Å; L290-H329 HydrophobicContact CB-CB 3.94Å; L290-H329 PolarHBondContact O-CD2 3.21Å; H291-H329 WeakPolarHBondContact O-CB 3.3Å; H329-R331 VanDerWaalsContact C-N 3.31Å; H329-R331 PolarHBondContact O-N 3.14Å; H329-A332 PolarHBondContact O-N 2.98Å; H329-K333 VanDerWaalsContact O-CB 3.29Å; H329-K333 WeakPolarHBondContact O-CB 3.37Å; H329-K333 PolarHBondContact O-N 3.49Å |
| 330 | Q | 98.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 34 Ų | 34 | 16% | 0.159 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | -176.9 | -60.5 | 79.6 | 2 | 0 | 0 | 111.6 | P292 K333 H334 Q374 | P292-Q330 PolarHBondContact O-NE2 2.94Å; Q330-K333 PolarHBondContact O-N 3.09Å; Q330-H334 WeakPolarHBondContact O-CB 3.45Å; Q330-H334 PolarHBondContact O-N 3.34Å; Q330-Q374 VanDerWaalsContact CB-O 3.29Å; Q330-Q374 WeakPolarHBondContact CB-O 3.46Å |
| 331 | R | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -45.3 | -179.7 | -70.1 | 1.2 | 166.5 | -157.6 | -6.6 | 110.4 | R243 E246 K327 L328 H329 H334 V335 Q374 Y375 E376 | R243-R331 VanDerWaalsContact CZ-NH2 3.35Å; E246-R331 HydrophobicContact CB-CB 4.33Å; E246-R331 HydrophobicContact CB-CG 3.66Å; E246-R331 HydrophobicContact CG-CG 4.34Å; E246-R331 IonicContact OE1-CZ 2.81Å; E246-R331 IonicContact OE1-NE 2.66Å; E246-R331 IonicContact OE1-NH2 2.72Å; E246-R331 PolarHBondContact OE1-NH2 3.17Å; E246-R331 WeakPolarHBondContact OE2-CG 3.31Å; E246-R331 IonicContact OE2-CZ 3.23Å; E246-R331 IonicContact OE2-NE 2.89Å; E246-R331 PolarHBondContact OE2-NE 2.74Å; E246-R331 IonicContact OE2-NH2 3.84Å; K327-R331 WeakPolarHBondContact O-CB 3.35Å; K327-R331 WeakPolarHBondContact O-CD 3.4Å; K327-R331 WeakPolarHBondContact O-CG 3.39Å; K327-R331 PolarHBondContact O-N 2.87Å; L328-R331 PolarHBondContact O-N 2.68Å; H329-R331 VanDerWaalsContact C-N 3.31Å; H329-R331 PolarHBondContact O-N 3.14Å; R331-H334 PolarHBondContact O-N 2.88Å; R331-V335 VanDerWaalsContact O-CG2 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.29Å; R331-V335 PolarHBondContact O-N 2.62Å; R331-Q374 PolarHBondContact NH1-O 3.43Å; R331-Y375 HydrophobicContact CB-CE2 4.01Å; R331-Y375 HydrophobicContact CG-CD2 4.45Å; R331-Y375 HydrophobicContact CG-CE2 4.04Å; R331-E376 IonicContact CZ-OE2 2.74Å; R331-E376 VanDerWaalsContact CZ-OE2 3.23Å; R331-E376 IonicContact NH1-OE2 2.8Å; R331-E376 PolarHBondContact NH1-OE2 2.98Å; R331-E376 IonicContact NH2-OE2 2.87Å; R331-E376 PolarHBondContact NH2-OE2 3.18Å |
| 332 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A250 L268 V286 L290 L328 H329 H334 V335 Y336 | A250-A332 HydrophobicContact CB-CB 4.24Å; L268-A332 HydrophobicContact CD1-CB 4.4Å; L268-A332 HydrophobicContact CD2-CB 4.36Å; V286-A332 HydrophobicContact CG1-CB 4.15Å; V286-A332 HydrophobicContact CG2-CB 3.6Å; L290-A332 HydrophobicContact CD1-CB 4.01Å; L328-A332 WeakPolarHBondContact O-CB 3.1Å; L328-A332 PolarHBondContact O-N 3.14Å; H329-A332 PolarHBondContact O-N 2.98Å; A332-H334 PolarHBondContact O-N 3.42Å; A332-V335 PolarHBondContact O-N 2.97Å; A332-Y336 HydrophobicContact CB-CD2 4.46Å; A332-Y336 HydrophobicContact CB-CE2 4.19Å; A332-Y336 WeakPolarHBondContact O-CD2 3.21Å; A332-Y336 PolarHBondContact O-N 2.97Å |
| 333 | K | 98.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 28 Ų | 28 | 28% | 0.283 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.4 | -165.7 | 164 | -165 | 147.2 | 0 | 112.2 | L283 V286 D287 H329 Q330 G337 | L283-K333 HydrophobicContact CD2-CG 4.04Å; V286-K333 HydrophobicContact CG1-CB 4.28Å; D287-K333 VanDerWaalsContact CG-NZ 3.3Å; D287-K333 IonicContact OD1-NZ 3.14Å; D287-K333 PolarHBondContact OD1-NZ 3.28Å; D287-K333 IonicContact OD2-NZ 3.87Å; D287-K333 PolarHBondContact OD2-NZ 3.31Å; H329-K333 VanDerWaalsContact O-CB 3.29Å; H329-K333 WeakPolarHBondContact O-CB 3.37Å; H329-K333 PolarHBondContact O-N 3.49Å; Q330-K333 PolarHBondContact O-N 3.09Å; K333-G337 PolarHBondContact O-N 3.33Å |
| 334 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -53.4 | 171 | 174.2 | 70.1 | 0 | 0 | 0 | 111.3 | E48 Q330 R331 A332 G337 E338 S370 C371 Q374 Y375 | E48-H334 PolarHBondContact O-NE2 2.82Å; Q330-H334 WeakPolarHBondContact O-CB 3.45Å; Q330-H334 PolarHBondContact O-N 3.34Å; R331-H334 PolarHBondContact O-N 2.88Å; A332-H334 PolarHBondContact O-N 3.42Å; H334-G337 PolarHBondContact O-N 3.45Å; H334-E338 WeakPolarHBondContact O-CB 3.46Å; H334-E338 PolarHBondContact O-N 3.41Å; H334-S370 PolarHBondContact ND1-OG 3.15Å; H334-C371 VanDerWaalsContact CE1-SG 3.58Å; H334-Q374 HydrophobicContact CB-CB 4.02Å; H334-Y375 HydrophobicContact CB-CD2 3.57Å; H334-Y375 HydrophobicContact CB-CE2 4.34Å; H334-Y375 HydrophobicContact CB-CG 4.36Å; H334-Y375 AromaticContact CD2-CD2 3.06Å; H334-Y375 WeakPolarHBondContact CD2-CD2 3.39Å; H334-Y375 AromaticContact CD2-CE2 3.56Å; H334-Y375 AromaticContact CD2-CG 3.44Å; H334-Y375 VanDerWaalsContact CD2-CG 3.44Å; H334-Y375 AromaticContact CG-CD2 3.38Å; H334-Y375 AromaticContact CG-CG 3.81Å; H334-Y375 AromaticContact NE2-CD2 3.93Å; H334-Y375 AromaticContact NE2-CG 3.84Å |
| 335 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -50.5 | -172.3 | 168.6 | 0 | 0 | 0 | 0 | 112.3 | I50 C53 Y55 L268 R331 A332 E338 A339 Y375 | I50-V335 HydrophobicContact CB-CG1 4.29Å; I50-V335 HydrophobicContact CG2-CB 4.13Å; I50-V335 HydrophobicContact CG2-CG1 3.91Å; I50-V335 HydrophobicContact CG2-CG2 4.17Å; C53-V335 HydrophobicContact CB-CG1 3.73Å; Y55-V335 HydrophobicContact CD2-CG1 3.66Å; Y55-V335 HydrophobicContact CE2-CG1 3.79Å; L268-V335 HydrophobicContact CB-CG1 4.31Å; L268-V335 HydrophobicContact CD1-CB 3.73Å; L268-V335 HydrophobicContact CD1-CG1 3.67Å; L268-V335 HydrophobicContact CD1-CG2 3.95Å; R331-V335 VanDerWaalsContact O-CG2 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.29Å; R331-V335 PolarHBondContact O-N 2.62Å; A332-V335 PolarHBondContact O-N 2.97Å; V335-E338 PolarHBondContact O-N 3.46Å; V335-A339 WeakPolarHBondContact O-CB 3.31Å; V335-A339 PolarHBondContact O-N 2.68Å; V335-Y375 HydrophobicContact CG2-CE2 4.32Å |
| 336 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | -179.8 | -64.5 | -59.4 | 0 | 0 | 0 | 111.8 | Y55 L254 L268 L279 M282 V286 A332 E338 A339 E340 | Y55-Y336 AromaticContact CE2-CD1 3.95Å; Y55-Y336 HydrophobicContact CE2-CD1 3.95Å; Y55-Y336 HydrophobicContact CE2-CE1 4.02Å; Y55-Y336 AromaticContact CZ-CD1 3.82Å; Y55-Y336 AromaticContact CZ-CE1 3.93Å; Y55-Y336 WeakPolarHBondContact OH-CD1 3.37Å; Y55-Y336 WeakPolarHBondContact OH-CE1 3.4Å; L254-Y336 HydrophobicContact CD1-CE2 3.95Å; L254-Y336 WeakPolarHBondContact CD1-OH 3.31Å; L268-Y336 HydrophobicContact CB-CE1 3.99Å; L268-Y336 HydrophobicContact CD2-CE2 4.13Å; L268-Y336 VanDerWaalsContact CD2-OH 3.29Å; L268-Y336 WeakPolarHBondContact CD2-OH 3.25Å; L268-Y336 PolarHBondContact O-OH 3.31Å; L279-Y336 HydrophobicContact CD2-CD1 4.04Å; M282-Y336 HydrophobicContact CB-CD1 3.83Å; M282-Y336 HydrophobicContact CB-CD2 4.07Å; M282-Y336 HydrophobicContact CB-CE1 3.98Å; M282-Y336 HydrophobicContact CB-CE2 4.22Å; M282-Y336 HydrophobicContact CB-CG 3.89Å; M282-Y336 HydrophobicContact CE-CE1 3.8Å; M282-Y336 HydrophobicContact CE-CE2 4.07Å; M282-Y336 WeakPolarHBondContact CE-OH 3.35Å; M282-Y336 HydrophobicContact CG-CD1 4.33Å; M282-Y336 HydrophobicContact CG-CE1 4.15Å; V286-Y336 HydrophobicContact CG2-CD2 3.73Å; V286-Y336 HydrophobicContact CG2-CE2 3.62Å; A332-Y336 HydrophobicContact CB-CD2 4.46Å; A332-Y336 HydrophobicContact CB-CE2 4.19Å; A332-Y336 WeakPolarHBondContact O-CD2 3.21Å; A332-Y336 PolarHBondContact O-N 2.97Å; Y336-E338 PolarHBondContact O-N 3.15Å; Y336-A339 PolarHBondContact O-N 2.88Å; Y336-E340 PolarHBondContact O-N 3Å; Y336-E340 VanDerWaalsContact O-N 3.08Å |
| 337 | G | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.2 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | K333 H334 E340 R341 | K333-G337 PolarHBondContact O-N 3.33Å; H334-G337 PolarHBondContact O-N 3.45Å; G337-E340 PolarHBondContact O-N 2.91Å; G337-R341 VanDerWaalsContact C-CZ 3.49Å; G337-R341 WeakPolarHBondContact O-CG 3.37Å; G337-R341 PolarHBondContact O-N 3.45Å; G337-R341 VanDerWaalsContact O-N 3.09Å; G337-R341 PolarHBondContact O-NH1 3.02Å |
| 338 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72 | -39.7 | 177 | -172.9 | 73.5 | 177.9 | 0 | 0 | 111.2 | G47 E48 I50 H334 V335 Y336 E340 R341 V342 S367 | G47-E338 WeakPolarHBondContact CA-OE1 3.36Å; G47-E338 PolarHBondContact N-OE1 2.55Å; E48-E338 PolarHBondContact N-OE1 3.35Å; E48-E338 VanDerWaalsContact N-OE1 3.16Å; I50-E338 HydrophobicContact CD1-CG 4.19Å; I50-E338 HydrophobicContact CG2-CB 3.82Å; I50-E338 HydrophobicContact CG2-CG 3.98Å; H334-E338 WeakPolarHBondContact O-CB 3.46Å; H334-E338 PolarHBondContact O-N 3.41Å; V335-E338 PolarHBondContact O-N 3.46Å; Y336-E338 PolarHBondContact O-N 3.15Å; E338-E340 VanDerWaalsContact C-N 3.25Å; E338-E340 PolarHBondContact O-N 3.08Å; E338-R341 VanDerWaalsContact CA-NH2 3.31Å; E338-R341 PolarHBondContact O-N 2.85Å; E338-R341 IonicContact OE2-CZ 2.94Å; E338-R341 IonicContact OE2-NE 3.15Å; E338-R341 PolarHBondContact OE2-NE 3.42Å; E338-R341 IonicContact OE2-NH2 2.79Å; E338-R341 PolarHBondContact OE2-NH2 2.99Å; E338-V342 WeakPolarHBondContact O-CG2 3.47Å; E338-V342 PolarHBondContact O-N 2.89Å; E338-S367 VanDerWaalsContact CD-OG 3.28Å; E338-S367 WeakPolarHBondContact OE1-CB 3.4Å; E338-S367 PolarHBondContact OE1-OG 3.05Å; E338-S367 WeakPolarHBondContact OE2-CA 3.31Å; E338-S367 VanDerWaalsContact OE2-CB 3.31Å; E338-S367 WeakPolarHBondContact OE2-CB 3.33Å; E338-S367 PolarHBondContact OE2-OG 3.36Å |
| 339 | A | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | I50 Y55 L279 V335 Y336 V342 M343 | I50-A339 HydrophobicContact CD1-CB 4.21Å; Y55-A339 HydrophobicContact CD1-CB 3.53Å; Y55-A339 HydrophobicContact CD2-CB 4.11Å; Y55-A339 HydrophobicContact CE1-CB 3.99Å; Y55-A339 HydrophobicContact CE2-CB 4.5Å; Y55-A339 HydrophobicContact CG-CB 3.6Å; L279-A339 HydrophobicContact CD1-CB 4.11Å; L279-A339 HydrophobicContact CD2-CB 4.05Å; V335-A339 WeakPolarHBondContact O-CB 3.31Å; V335-A339 PolarHBondContact O-N 2.68Å; Y336-A339 PolarHBondContact O-N 2.88Å; A339-V342 PolarHBondContact O-N 3.28Å; A339-M343 PolarHBondContact O-N 3.21Å |
| 340 | E | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 31.6 Ų | 31.6 | 39% | 0.388 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 176 | -174.4 | -166.4 | -155.4 | 0 | 0 | 110.7 | L279 Y336 G337 E338 V342 M343 R344 | L279-E340 HydrophobicContact CB-CB 4.23Å; L279-E340 VanDerWaalsContact CD1-CA 3.47Å; L279-E340 HydrophobicContact CD1-CB 3.81Å; Y336-E340 PolarHBondContact O-N 3Å; Y336-E340 VanDerWaalsContact O-N 3.08Å; G337-E340 PolarHBondContact O-N 2.91Å; E338-E340 VanDerWaalsContact C-N 3.25Å; E338-E340 PolarHBondContact O-N 3.08Å; E340-V342 VanDerWaalsContact C-N 3.29Å; E340-V342 PolarHBondContact O-N 2.89Å; E340-M343 PolarHBondContact O-N 2.71Å; E340-R344 PolarHBondContact O-N 2.74Å |
| 341 | R | 98.8 | Very high | 98.3 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 10% | 0.102 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | 177.1 | -73.2 | -175.5 | -72.2 | -83.7 | 4.6 | 112.4 | I46 G337 E338 R344 F345 L363 S370 | I46-R341 HydrophobicContact CD1-CB 3.73Å; I46-R341 HydrophobicContact CG1-CB 4.33Å; G337-R341 VanDerWaalsContact C-CZ 3.49Å; G337-R341 WeakPolarHBondContact O-CG 3.37Å; G337-R341 PolarHBondContact O-N 3.45Å; G337-R341 VanDerWaalsContact O-N 3.09Å; G337-R341 PolarHBondContact O-NH1 3.02Å; E338-R341 VanDerWaalsContact CA-NH2 3.31Å; E338-R341 PolarHBondContact O-N 2.85Å; E338-R341 IonicContact OE2-CZ 2.94Å; E338-R341 IonicContact OE2-NE 3.15Å; E338-R341 PolarHBondContact OE2-NE 3.42Å; E338-R341 IonicContact OE2-NH2 2.79Å; E338-R341 PolarHBondContact OE2-NH2 2.99Å; R341-R344 PolarHBondContact O-N 2.69Å; R341-F345 VanDerWaalsContact O-CB 3.28Å; R341-F345 WeakPolarHBondContact O-CB 3.38Å; R341-F345 PolarHBondContact O-N 2.75Å; R341-L363 HydrophobicContact CG-CD2 4.15Å; R341-S370 VanDerWaalsContact NH2-CB 3.25Å; R341-S370 PolarHBondContact NH2-OG 3.32Å |
| 342 | V | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 174.4 | 171 | 0 | 0 | 0 | 0 | 111.2 | I46 I50 L58 L204 E338 A339 E340 R344 F345 K346 | I46-V342 HydrophobicContact CG2-CG2 4.12Å; I50-V342 HydrophobicContact CD1-CG2 3.92Å; L58-V342 HydrophobicContact CB-CG1 4.34Å; L204-V342 HydrophobicContact CD1-CG1 3.58Å; E338-V342 WeakPolarHBondContact O-CG2 3.47Å; E338-V342 PolarHBondContact O-N 2.89Å; A339-V342 PolarHBondContact O-N 3.28Å; E340-V342 VanDerWaalsContact C-N 3.29Å; E340-V342 PolarHBondContact O-N 2.89Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 2.78Å; V342-F345 WeakPolarHBondContact O-CB 3.32Å; V342-F345 PolarHBondContact O-N 2.68Å; V342-K346 PolarHBondContact O-N 2.82Å |
| 343 | M | 98.5 | Very high | 97.1 | Very high | 86 Ų | 86 | 39.2 Ų | 39.2 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.2 | -40.5 | -178.9 | -64 | -51.7 | -61.6 | 0 | 0 | 111.3 | A339 E340 K346 S347 | A339-M343 PolarHBondContact O-N 3.21Å; E340-M343 PolarHBondContact O-N 2.71Å; M343-K346 PolarHBondContact O-N 3.16Å; M343-S347 PolarHBondContact O-N 2.95Å; M343-S347 PolarHBondContact O-OG 3.35Å; M343-S347 VanDerWaalsContact O-OG 3.11Å |
| 344 | R | 98.5 | Very high | 96.4 | Very high | 124 Ų | 124 | 41.3 Ų | 41.3 | 47% | 0.468 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.5 | -168.9 | 171.3 | 168.5 | -171.2 | -3.4 | 112.4 | E340 R341 V342 S347 I348 L363 | E340-R344 PolarHBondContact O-N 2.74Å; R341-R344 PolarHBondContact O-N 2.69Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 2.78Å; R344-S347 PolarHBondContact O-N 2.92Å; R344-I348 HydrophobicContact CG-CD1 4.09Å; R344-I348 WeakPolarHBondContact O-CD1 3.35Å; R344-I348 VanDerWaalsContact O-CG1 3.31Å; R344-I348 WeakPolarHBondContact O-CG1 3.29Å; R344-I348 PolarHBondContact O-N 3.43Å; R344-L363 HydrophobicContact CB-CD1 4.14Å; R344-L363 HydrophobicContact CG-CD1 4.05Å; R344-L363 HydrophobicContact CG-CD2 4.36Å |
| 345 | F | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 174.8 | -166.9 | -68.7 | 0 | 0 | 0 | 110.1 | I46 L58 L217 R341 V342 S347 I348 C349 L360 L363 M364 | I46-F345 HydrophobicContact CB-CD2 4.28Å; I46-F345 HydrophobicContact CD1-CD2 4.11Å; I46-F345 HydrophobicContact CG2-CB 3.84Å; I46-F345 HydrophobicContact CG2-CD1 4.44Å; I46-F345 HydrophobicContact CG2-CD2 3.75Å; I46-F345 HydrophobicContact CG2-CE2 4.44Å; I46-F345 HydrophobicContact CG2-CG 3.76Å; L58-F345 HydrophobicContact CD1-CB 4.38Å; L58-F345 HydrophobicContact CD1-CD1 3.62Å; L58-F345 HydrophobicContact CD1-CE1 4.33Å; L58-F345 HydrophobicContact CD1-CG 4.28Å; L58-F345 HydrophobicContact CD2-CE1 4.42Å; L217-F345 HydrophobicContact CD2-CE1 4.36Å; R341-F345 VanDerWaalsContact O-CB 3.28Å; R341-F345 WeakPolarHBondContact O-CB 3.38Å; R341-F345 PolarHBondContact O-N 2.75Å; V342-F345 WeakPolarHBondContact O-CB 3.32Å; V342-F345 PolarHBondContact O-N 2.68Å; F345-S347 PolarHBondContact O-N 2.76Å; F345-I348 PolarHBondContact O-N 3.36Å; F345-C349 PolarHBondContact O-N 2.92Å; F345-C349 VanDerWaalsContact O-N 3.08Å; F345-C349 PolarHBondContact O-SG 3.07Å; F345-L360 HydrophobicContact CB-CD2 4.23Å; F345-L360 HydrophobicContact CD1-CD2 3.66Å; F345-L360 HydrophobicContact CD2-CB 4.39Å; F345-L360 HydrophobicContact CD2-CD2 3.65Å; F345-L360 HydrophobicContact CE1-CD1 4.07Å; F345-L360 HydrophobicContact CE1-CD2 3.82Å; F345-L360 HydrophobicContact CE1-CG 4.46Å; F345-L360 HydrophobicContact CE2-CB 3.9Å; F345-L360 HydrophobicContact CE2-CD1 4.46Å; F345-L360 HydrophobicContact CE2-CD2 3.8Å; F345-L360 HydrophobicContact CE2-CG 4.25Å; F345-L360 HydrophobicContact CG-CD2 3.57Å; F345-L360 HydrophobicContact CZ-CB 4.17Å; F345-L360 HydrophobicContact CZ-CD1 3.94Å; F345-L360 HydrophobicContact CZ-CD2 3.88Å; F345-L360 HydrophobicContact CZ-CG 4.21Å; F345-L360 WeakPolarHBondContact O-CD2 3.17Å; F345-L363 HydrophobicContact CB-CD1 3.94Å; F345-L363 HydrophobicContact CD2-CB 4.45Å; F345-L363 HydrophobicContact CD2-CD1 4.35Å; F345-M364 HydrophobicContact CE2-CG 4.11Å; F345-M364 HydrophobicContact CE2-SD 4.48Å |
| 346 | K | 98.2 | Very high | 95.6 | Very high | 29 Ų | 29 | 44 Ų | 44 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 176.1 | -175 | -175.2 | -173.6 | -38.5 | 0 | 111.8 | L58 L204 V215 V342 M343 I348 C349 D350 | L58-K346 HydrophobicContact CD1-CB 4.24Å; L204-K346 HydrophobicContact CB-CD 4.23Å; L204-K346 HydrophobicContact CD2-CD 3.68Å; L204-K346 HydrophobicContact CG-CD 4.33Å; V215-K346 HydrophobicContact CG2-CD 4.48Å; V215-K346 HydrophobicContact CG2-CG 4.15Å; V342-K346 PolarHBondContact O-N 2.82Å; M343-K346 PolarHBondContact O-N 3.16Å; K346-I348 VanDerWaalsContact C-N 3.28Å; K346-I348 PolarHBondContact O-N 3.01Å; K346-C349 WeakPolarHBondContact O-CB 3.37Å; K346-C349 PolarHBondContact O-N 3.3Å; K346-C349 VanDerWaalsContact O-N 3.11Å; K346-D350 IonicContact NZ-OD1 3.35Å; K346-D350 PolarHBondContact NZ-OD1 2.61Å; K346-D350 IonicContact NZ-OD2 2.78Å; K346-D350 PolarHBondContact NZ-OD2 2.97Å; K346-D350 PolarHBondContact O-N 3.17Å |
| 347 | S | 98 | Very high | 95.5 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | M343 R344 F345 D350 A351 | M343-S347 PolarHBondContact O-N 2.95Å; M343-S347 PolarHBondContact O-OG 3.35Å; M343-S347 VanDerWaalsContact O-OG 3.11Å; R344-S347 PolarHBondContact O-N 2.92Å; F345-S347 PolarHBondContact O-N 2.76Å; S347-D350 PolarHBondContact O-N 2.99Å; S347-A351 WeakPolarHBondContact O-CB 3.39Å; S347-A351 PolarHBondContact O-N 2.97Å |
| 348 | I | 98 | Very high | 95.4 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 175.2 | -68.6 | 159.9 | 0 | 0 | 0 | 111.3 | R344 F345 K346 G352 S356 L359 L360 L363 | R344-I348 HydrophobicContact CG-CD1 4.09Å; R344-I348 WeakPolarHBondContact O-CD1 3.35Å; R344-I348 VanDerWaalsContact O-CG1 3.31Å; R344-I348 WeakPolarHBondContact O-CG1 3.29Å; R344-I348 PolarHBondContact O-N 3.43Å; F345-I348 PolarHBondContact O-N 3.36Å; K346-I348 VanDerWaalsContact C-N 3.28Å; K346-I348 PolarHBondContact O-N 3.01Å; I348-G352 PolarHBondContact O-N 2.97Å; I348-S356 WeakPolarHBondContact CG2-OG 3.41Å; I348-S356 PolarHBondContact O-OG 3.18Å; I348-L359 HydrophobicContact CD1-CB 3.86Å; I348-L359 HydrophobicContact CG2-CB 4.39Å; I348-L360 HydrophobicContact CB-CD2 3.69Å; I348-L360 HydrophobicContact CB-CG 4.41Å; I348-L360 HydrophobicContact CD1-CD2 4.13Å; I348-L360 HydrophobicContact CG2-CD1 4.46Å; I348-L360 HydrophobicContact CG2-CD2 3.58Å; I348-L360 HydrophobicContact CG2-CG 3.73Å; I348-L363 HydrophobicContact CD1-CD1 3.7Å |
| 349 | C | 97.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -48 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | V215 Q216 F345 K346 A351 G352 | V215-C349 HydrophobicContact CG1-CB 3.67Å; Q216-C349 WeakPolarHBondContact O-CB 3.12Å; F345-C349 PolarHBondContact O-N 2.92Å; F345-C349 VanDerWaalsContact O-N 3.08Å; F345-C349 PolarHBondContact O-SG 3.07Å; K346-C349 WeakPolarHBondContact O-CB 3.37Å; K346-C349 PolarHBondContact O-N 3.3Å; K346-C349 VanDerWaalsContact O-N 3.11Å; C349-A351 VanDerWaalsContact C-N 3.29Å; C349-A351 PolarHBondContact O-N 3.34Å; C349-G352 PolarHBondContact O-N 3.24Å |
| 350 | D | 95.8 | Very high | 95.3 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | -179.8 | -67.2 | -14.1 | 0 | 0 | 0 | 112.2 | K346 S347 G352 | K346-D350 IonicContact NZ-OD1 3.35Å; K346-D350 PolarHBondContact NZ-OD1 2.61Å; K346-D350 IonicContact NZ-OD2 2.78Å; K346-D350 PolarHBondContact NZ-OD2 2.97Å; K346-D350 PolarHBondContact O-N 3.17Å; S347-D350 PolarHBondContact O-N 2.99Å; D350-G352 VanDerWaalsContact C-N 3.34Å |
| 351 | A | 94.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.5 | -26.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S347 C349 A353 | S347-A351 WeakPolarHBondContact O-CB 3.39Å; S347-A351 PolarHBondContact O-N 2.97Å; C349-A351 VanDerWaalsContact C-N 3.29Å; C349-A351 PolarHBondContact O-N 3.34Å; A351-A353 PolarHBondContact O-N 2.94Å; A351-A353 VanDerWaalsContact O-N 3.1Å |
| 352 | G | 87.6 | Confident | 95.3 | Very high | 63 Ų | 63 | 51 Ų | 51 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 23.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I348 C349 D350 | I348-G352 PolarHBondContact O-N 2.97Å; C349-G352 PolarHBondContact O-N 3.24Å; D350-G352 VanDerWaalsContact C-N 3.34Å |
| 353 | A | 85.9 | Confident | 95.3 | Very high | 60 Ų | 60 | 51 Ų | 51 | 50% | 0.496 | 33% | 0.332 | S | S | . | . | trans | -74.5 | 156.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | A351 G355 S356 | A351-A353 PolarHBondContact O-N 2.94Å; A351-A353 VanDerWaalsContact O-N 3.1Å; A353-G355 PolarHBondContact O-N 3.4Å; A353-S356 PolarHBondContact N-OG 2.78Å; A353-S356 WeakPolarHBondContact O-CB 3.27Å; A353-S356 PolarHBondContact O-N 3.25Å; A353-S356 PolarHBondContact O-OG 3.07Å | ||
| 354 | A | 83.4 | Confident | 95.3 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 89% | 0.893 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 135.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 355 | G | 88.6 | Confident | 95.3 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 1.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A353 I357 A358 L359 | A353-G355 PolarHBondContact O-N 3.4Å; G355-I357 VanDerWaalsContact C-N 3.26Å; G355-I357 PolarHBondContact O-N 3.4Å; G355-A358 PolarHBondContact O-N 3.41Å; G355-L359 PolarHBondContact O-N 2.88Å |
| 356 | S | 93.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -51.7 | -40.8 | 177.7 | -73.2 | 0 | 0 | 0 | 0 | 113.5 | I348 A353 A358 L359 L360 | I348-S356 WeakPolarHBondContact CG2-OG 3.41Å; I348-S356 PolarHBondContact O-OG 3.18Å; A353-S356 PolarHBondContact N-OG 2.78Å; A353-S356 WeakPolarHBondContact O-CB 3.27Å; A353-S356 PolarHBondContact O-N 3.25Å; A353-S356 PolarHBondContact O-OG 3.07Å; S356-A358 VanDerWaalsContact C-N 3.28Å; S356-A358 PolarHBondContact O-N 2.71Å; S356-L359 PolarHBondContact O-N 3.3Å; S356-L360 WeakPolarHBondContact O-CB 3.45Å; S356-L360 VanDerWaalsContact O-CG 3.25Å; S356-L360 WeakPolarHBondContact O-CG 3.27Å; S356-L360 PolarHBondContact O-N 3.42Å |
| 357 | I | 95.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 16% | 0.159 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -39.6 | -179.9 | -61.5 | 178 | 0 | 0 | 0 | 111.9 | P218 A221 G355 G361 V395 M411 T413 | P218-I357 HydrophobicContact CB-CG1 3.97Å; P218-I357 HydrophobicContact CG-CG1 4.48Å; A221-I357 HydrophobicContact CB-CD1 4.23Å; A221-I357 HydrophobicContact CB-CG1 4.34Å; G355-I357 VanDerWaalsContact C-N 3.26Å; G355-I357 PolarHBondContact O-N 3.4Å; I357-G361 PolarHBondContact O-N 3.23Å; I357-V395 HydrophobicContact CG2-CB 4.25Å; I357-V395 HydrophobicContact CG2-CG1 4.2Å; I357-V395 HydrophobicContact CG2-CG2 4.03Å; I357-V395 WeakPolarHBondContact O-CG1 3.28Å; I357-M411 HydrophobicContact CG2-CE 4.01Å; I357-M411 HydrophobicContact CG2-SD 4.24Å; I357-M411 WeakPolarHBondContact O-CE 3.47Å; I357-T413 HydrophobicContact CG2-CG2 4.48Å |
| 358 | A | 96.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 50% | 0.504 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G355 S356 G361 E362 | G355-A358 PolarHBondContact O-N 3.41Å; S356-A358 VanDerWaalsContact C-N 3.28Å; S356-A358 PolarHBondContact O-N 2.71Å; A358-G361 PolarHBondContact O-N 3.43Å; A358-E362 PolarHBondContact O-N 2.7Å |
| 359 | L | 97.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 179.1 | -63 | 173.8 | 0 | 0 | 0 | 112 | I348 G355 S356 G361 E362 L363 | I348-L359 HydrophobicContact CD1-CB 3.86Å; I348-L359 HydrophobicContact CG2-CB 4.39Å; G355-L359 PolarHBondContact O-N 2.88Å; S356-L359 PolarHBondContact O-N 3.3Å; L359-G361 VanDerWaalsContact C-N 3.31Å; L359-G361 PolarHBondContact O-N 2.92Å; L359-E362 WeakPolarHBondContact O-CB 3.15Å; L359-E362 PolarHBondContact O-N 3.21Å; L359-L363 WeakPolarHBondContact O-CG 3.33Å; L359-L363 PolarHBondContact O-N 3.15Å; L359-L363 VanDerWaalsContact O-N 3.16Å |
| 360 | L | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 175.4 | -67.6 | -177.5 | 0 | 0 | 0 | 111.4 | P218 F345 I348 S356 E362 L363 M364 M411 | P218-L360 HydrophobicContact CG-CD1 3.48Å; P218-L360 VanDerWaalsContact CG-CD1 3.48Å; F345-L360 HydrophobicContact CB-CD2 4.23Å; F345-L360 HydrophobicContact CD1-CD2 3.66Å; F345-L360 HydrophobicContact CD2-CB 4.39Å; F345-L360 HydrophobicContact CD2-CD2 3.65Å; F345-L360 HydrophobicContact CE1-CD1 4.07Å; F345-L360 HydrophobicContact CE1-CD2 3.82Å; F345-L360 HydrophobicContact CE1-CG 4.46Å; F345-L360 HydrophobicContact CE2-CB 3.9Å; F345-L360 HydrophobicContact CE2-CD1 4.46Å; F345-L360 HydrophobicContact CE2-CD2 3.8Å; F345-L360 HydrophobicContact CE2-CG 4.25Å; F345-L360 HydrophobicContact CG-CD2 3.57Å; F345-L360 HydrophobicContact CZ-CB 4.17Å; F345-L360 HydrophobicContact CZ-CD1 3.94Å; F345-L360 HydrophobicContact CZ-CD2 3.88Å; F345-L360 HydrophobicContact CZ-CG 4.21Å; F345-L360 WeakPolarHBondContact O-CD2 3.17Å; I348-L360 HydrophobicContact CB-CD2 3.69Å; I348-L360 HydrophobicContact CB-CG 4.41Å; I348-L360 HydrophobicContact CD1-CD2 4.13Å; I348-L360 HydrophobicContact CG2-CD1 4.46Å; I348-L360 HydrophobicContact CG2-CD2 3.58Å; I348-L360 HydrophobicContact CG2-CG 3.73Å; S356-L360 WeakPolarHBondContact O-CB 3.45Å; S356-L360 VanDerWaalsContact O-CG 3.25Å; S356-L360 WeakPolarHBondContact O-CG 3.27Å; S356-L360 PolarHBondContact O-N 3.42Å; L360-E362 VanDerWaalsContact C-N 3.35Å; L360-L363 PolarHBondContact O-N 2.87Å; L360-M364 WeakPolarHBondContact O-CG 3.48Å; L360-M364 PolarHBondContact O-N 3.45Å; L360-M411 HydrophobicContact CB-CE 3.7Å; L360-M411 HydrophobicContact CB-SD 4.3Å |
| 361 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I357 A358 L359 L363 M364 N365 G396 | I357-G361 PolarHBondContact O-N 3.23Å; A358-G361 PolarHBondContact O-N 3.43Å; L359-G361 VanDerWaalsContact C-N 3.31Å; L359-G361 PolarHBondContact O-N 2.92Å; G361-L363 PolarHBondContact O-N 3.42Å; G361-M364 PolarHBondContact O-N 2.92Å; G361-N365 VanDerWaalsContact O-CG 3.22Å; G361-N365 PolarHBondContact O-N 3.13Å; G361-N365 PolarHBondContact O-ND2 3.1Å; G361-G396 WeakPolarHBondContact O-CA 3.47Å |
| 362 | E | 98.6 | Very high | 95.9 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 172.7 | -165.6 | -172.4 | 162.6 | 0 | 0 | 111.6 | A358 L359 L360 M364 N365 Q366 | A358-E362 PolarHBondContact O-N 2.7Å; L359-E362 WeakPolarHBondContact O-CB 3.15Å; L359-E362 PolarHBondContact O-N 3.21Å; L360-E362 VanDerWaalsContact C-N 3.35Å; E362-M364 VanDerWaalsContact C-N 3.33Å; E362-M364 PolarHBondContact O-N 3.34Å; E362-N365 PolarHBondContact O-N 3.02Å; E362-Q366 VanDerWaalsContact O-CG 3.3Å; E362-Q366 WeakPolarHBondContact O-CG 3.34Å; E362-Q366 PolarHBondContact O-N 3.48Å; E362-Q366 PolarHBondContact OE1-NE2 2.8Å; E362-Q366 VanDerWaalsContact OE1-NE2 3.08Å |
| 363 | L | 98.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.6 | -65.1 | 177.2 | 0 | 0 | 0 | 112.5 | I46 R341 R344 F345 I348 L359 L360 G361 Q366 S367 | I46-L363 HydrophobicContact CD1-CB 3.86Å; R341-L363 HydrophobicContact CG-CD2 4.15Å; R344-L363 HydrophobicContact CB-CD1 4.14Å; R344-L363 HydrophobicContact CG-CD1 4.05Å; R344-L363 HydrophobicContact CG-CD2 4.36Å; F345-L363 HydrophobicContact CB-CD1 3.94Å; F345-L363 HydrophobicContact CD2-CB 4.45Å; F345-L363 HydrophobicContact CD2-CD1 4.35Å; I348-L363 HydrophobicContact CD1-CD1 3.7Å; L359-L363 WeakPolarHBondContact O-CG 3.33Å; L359-L363 PolarHBondContact O-N 3.15Å; L359-L363 VanDerWaalsContact O-N 3.16Å; L360-L363 PolarHBondContact O-N 2.87Å; G361-L363 PolarHBondContact O-N 3.42Å; L363-Q366 PolarHBondContact O-N 3.02Å; L363-S367 WeakPolarHBondContact O-CB 3.24Å; L363-S367 PolarHBondContact O-N 3.13Å |
| 364 | M | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.1 | -68.6 | 173.5 | 68.9 | 0 | 0 | 111.4 | F223 F345 L360 G361 E362 S367 H368 R398 V409 M411 | F223-M364 HydrophobicContact CE1-CE 4.49Å; F223-M364 HydrophobicContact CE1-SD 4.37Å; F345-M364 HydrophobicContact CE2-CG 4.11Å; F345-M364 HydrophobicContact CE2-SD 4.48Å; L360-M364 WeakPolarHBondContact O-CG 3.48Å; L360-M364 PolarHBondContact O-N 3.45Å; G361-M364 PolarHBondContact O-N 2.92Å; E362-M364 VanDerWaalsContact C-N 3.33Å; E362-M364 PolarHBondContact O-N 3.34Å; M364-S367 WeakPolarHBondContact O-CB 3.37Å; M364-S367 PolarHBondContact O-N 3.08Å; M364-H368 PolarHBondContact O-N 3.14Å; M364-R398 HydrophobicContact CB-CG 4.42Å; M364-R398 HydrophobicContact CE-CG 4.27Å; M364-V409 HydrophobicContact CE-CG1 4.23Å; M364-V409 HydrophobicContact CE-CG2 4.47Å; M364-M411 HydrophobicContact CE-CB 4.08Å; M364-M411 HydrophobicContact SD-CB 3.68Å; M364-M411 HydrophobicContact SD-CE 4.03Å; M364-M411 HydrophobicContact SD-SD 4.45Å |
| 365 | N | 98.9 | Very high | 97.7 | Very high | 50 Ų | 50 | 34.6 Ų | 34.6 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 178.7 | -64 | -24.9 | 0 | 0 | 0 | 111.7 | G361 E362 S367 H368 A369 V395 G396 S397 | G361-N365 VanDerWaalsContact O-CG 3.22Å; G361-N365 PolarHBondContact O-N 3.13Å; G361-N365 PolarHBondContact O-ND2 3.1Å; E362-N365 PolarHBondContact O-N 3.02Å; N365-S367 VanDerWaalsContact C-N 3.34Å; N365-H368 PolarHBondContact O-N 3.21Å; N365-A369 PolarHBondContact O-N 3.19Å; N365-V395 PolarHBondContact ND2-O 2.83Å; N365-G396 VanDerWaalsContact OD1-CA 3.28Å; N365-G396 WeakPolarHBondContact OD1-CA 3.43Å; N365-S397 PolarHBondContact OD1-N 3.24Å; N365-S397 PolarHBondContact OD1-O 3.48Å |
| 366 | Q | 98.9 | Very high | 98.2 | Very high | 66 Ų | 66 | 35.6 Ų | 35.6 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.9 | -70.1 | 172.1 | 8.5 | 0 | 0 | 111.7 | E362 L363 A369 S370 | E362-Q366 VanDerWaalsContact O-CG 3.3Å; E362-Q366 WeakPolarHBondContact O-CG 3.34Å; E362-Q366 PolarHBondContact O-N 3.48Å; E362-Q366 PolarHBondContact OE1-NE2 2.8Å; E362-Q366 VanDerWaalsContact OE1-NE2 3.08Å; L363-Q366 PolarHBondContact O-N 3.02Å; Q366-A369 PolarHBondContact O-N 3.18Å; Q366-S370 WeakPolarHBondContact O-CB 3.15Å; Q366-S370 PolarHBondContact O-N 3.34Å |
| 367 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 173.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | E338 L363 M364 N365 A369 S370 C371 R398 | E338-S367 VanDerWaalsContact CD-OG 3.28Å; E338-S367 WeakPolarHBondContact OE1-CB 3.4Å; E338-S367 PolarHBondContact OE1-OG 3.05Å; E338-S367 WeakPolarHBondContact OE2-CA 3.31Å; E338-S367 VanDerWaalsContact OE2-CB 3.31Å; E338-S367 WeakPolarHBondContact OE2-CB 3.33Å; E338-S367 PolarHBondContact OE2-OG 3.36Å; L363-S367 WeakPolarHBondContact O-CB 3.24Å; L363-S367 PolarHBondContact O-N 3.13Å; M364-S367 WeakPolarHBondContact O-CB 3.37Å; M364-S367 PolarHBondContact O-N 3.08Å; N365-S367 VanDerWaalsContact C-N 3.34Å; S367-A369 PolarHBondContact O-N 2.72Å; S367-S370 PolarHBondContact O-N 3.19Å; S367-C371 PolarHBondContact O-N 2.88Å; S367-C371 PolarHBondContact O-SG 3.08Å; S367-C371 VanDerWaalsContact O-SG 3.33Å; S367-R398 PolarHBondContact OG-NE 3.18Å; S367-R398 PolarHBondContact OG-NH2 2.98Å |
| 368 | H | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 177.3 | -172.3 | 50.7 | 0 | 0 | 0 | 112.8 | M364 N365 S370 C371 R372 D383 R398 L399 | M364-H368 PolarHBondContact O-N 3.14Å; N365-H368 PolarHBondContact O-N 3.21Å; H368-S370 VanDerWaalsContact C-N 3.27Å; H368-S370 PolarHBondContact O-N 3.08Å; H368-C371 PolarHBondContact O-N 3.32Å; H368-R372 WeakPolarHBondContact O-CB 3.45Å; H368-R372 PolarHBondContact O-N 2.91Å; H368-D383 IonicContact CE1-OD1 2.77Å; H368-D383 IonicContact NE2-OD1 3.23Å; H368-D383 PolarHBondContact NE2-OD1 3.43Å; H368-R398 HydrophobicContact CB-CB 3.63Å; H368-L399 PolarHBondContact ND1-N 2.9Å |
| 369 | A | 98.9 | Very high | 98.6 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.1 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N365 Q366 S367 R372 D373 | N365-A369 PolarHBondContact O-N 3.19Å; Q366-A369 PolarHBondContact O-N 3.18Å; S367-A369 PolarHBondContact O-N 2.72Å; A369-R372 PolarHBondContact O-N 2.58Å; A369-D373 VanDerWaalsContact O-CB 3.28Å; A369-D373 WeakPolarHBondContact O-CB 3.24Å; A369-D373 PolarHBondContact O-N 2.89Å |
| 370 | S | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -65.4 | -43.9 | 175.5 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | H334 R341 Q366 S367 H368 R372 Q374 Y375 | H334-S370 PolarHBondContact ND1-OG 3.15Å; R341-S370 VanDerWaalsContact NH2-CB 3.25Å; R341-S370 PolarHBondContact NH2-OG 3.32Å; Q366-S370 WeakPolarHBondContact O-CB 3.15Å; Q366-S370 PolarHBondContact O-N 3.34Å; S367-S370 PolarHBondContact O-N 3.19Å; H368-S370 VanDerWaalsContact C-N 3.27Å; H368-S370 PolarHBondContact O-N 3.08Å; S370-R372 VanDerWaalsContact C-N 3.32Å; S370-R372 PolarHBondContact O-N 2.77Å; S370-Q374 CarbonylContact O-C 3.5Å; S370-Q374 WeakPolarHBondContact O-CA 3.5Å; S370-Q374 VanDerWaalsContact O-CB 3.29Å; S370-Q374 WeakPolarHBondContact O-CB 3.21Å; S370-Q374 PolarHBondContact O-N 3.37Å; S370-Y375 PolarHBondContact O-N 2.99Å |
| 371 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -60.9 | -40.5 | 174.7 | -69 | 0 | 0 | 0 | 0 | 112.2 | H334 S367 H368 Y375 E376 C377 L399 | H334-C371 VanDerWaalsContact CE1-SG 3.58Å; S367-C371 PolarHBondContact O-N 2.88Å; S367-C371 PolarHBondContact O-SG 3.08Å; S367-C371 VanDerWaalsContact O-SG 3.33Å; H368-C371 PolarHBondContact O-N 3.32Å; C371-Y375 CarbonylContact O-C 3.57Å; C371-E376 PolarHBondContact O-N 2.92Å; C371-C377 PolarHBondContact O-N 2.99Å; C371-L399 HydrophobicContact CB-CD1 4.3Å; C371-L399 HydrophobicContact CB-CD2 3.9Å; C371-L399 HydrophobicContact CB-CG 4.24Å |
| 372 | R | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -71.2 | -52.3 | 179.7 | -174.5 | -173.6 | 66.7 | -157.1 | -7 | 111.9 | H368 A369 S370 E376 D383 | H368-R372 WeakPolarHBondContact O-CB 3.45Å; H368-R372 PolarHBondContact O-N 2.91Å; A369-R372 PolarHBondContact O-N 2.58Å; S370-R372 VanDerWaalsContact C-N 3.32Å; S370-R372 PolarHBondContact O-N 2.77Å; R372-E376 WeakPolarHBondContact O-CA 3.39Å; R372-E376 PolarHBondContact O-N 2.84Å; R372-D383 VanDerWaalsContact CD-CG 3.49Å; R372-D383 WeakPolarHBondContact CD-OD1 3.23Å; R372-D383 VanDerWaalsContact CD-OD2 3.32Å; R372-D383 WeakPolarHBondContact CD-OD2 3.31Å |
| 373 | D | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 33.9 Ų | 33.9 | 44% | 0.439 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -95.1 | -37.2 | -165 | -55.9 | -31.5 | 0 | 0 | 0 | 112.6 | A369 | A369-D373 VanDerWaalsContact O-CB 3.28Å; A369-D373 WeakPolarHBondContact O-CB 3.24Å; A369-D373 PolarHBondContact O-N 2.89Å |
| 374 | Q | 98.4 | Very high | 98.6 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -94.2 | -44.4 | -180 | -59.5 | -63.3 | -51.4 | 0 | 0 | 111.7 | Q330 R331 H334 S370 | Q330-Q374 VanDerWaalsContact CB-O 3.29Å; Q330-Q374 WeakPolarHBondContact CB-O 3.46Å; R331-Q374 PolarHBondContact NH1-O 3.43Å; H334-Q374 HydrophobicContact CB-CB 4.02Å; S370-Q374 CarbonylContact O-C 3.5Å; S370-Q374 WeakPolarHBondContact O-CA 3.5Å; S370-Q374 VanDerWaalsContact O-CB 3.29Å; S370-Q374 WeakPolarHBondContact O-CB 3.21Å; S370-Q374 PolarHBondContact O-N 3.37Å |
| 375 | Y | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -89.3 | -18.1 | -178 | -140.2 | -110.8 | 0 | 0 | 0 | 113.9 | H49 Y52 R243 C247 R331 H334 V335 S370 C371 C377 | H49-Y375 HydrophobicContact CB-CD1 3.8Å; H49-Y375 HydrophobicContact CB-CE1 3.33Å; H49-Y375 HydrophobicContact CB-CE2 4.39Å; H49-Y375 AromaticContact CD2-CD1 3.6Å; H49-Y375 AromaticContact CD2-CE1 3.67Å; H49-Y375 AromaticContact CE1-CE1 3.86Å; H49-Y375 AromaticContact CG-CD1 3.57Å; H49-Y375 AromaticContact CG-CE1 3.16Å; H49-Y375 AromaticContact CG-CZ 3.97Å; H49-Y375 AromaticContact ND1-CE1 3.32Å; H49-Y375 VanDerWaalsContact ND1-CE1 3.32Å; H49-Y375 WeakPolarHBondContact ND1-CE1 3.19Å; Y52-Y375 PolarHBondContact OH-OH 2.94Å; R243-Y375 HydrophobicContact CB-CE1 3.65Å; R243-Y375 WeakPolarHBondContact CB-OH 3.04Å; R243-Y375 VanDerWaalsContact CD-CE1 3.46Å; R243-Y375 HydrophobicContact CG-CD1 4.22Å; R243-Y375 HydrophobicContact CG-CE1 3.56Å; R243-Y375 PolarHBondContact NE-O 2.96Å; R243-Y375 PolarHBondContact NH2-O 3.45Å; C247-Y375 PolarHBondContact SG-OH 2.95Å; R331-Y375 HydrophobicContact CB-CE2 4.01Å; R331-Y375 HydrophobicContact CG-CD2 4.45Å; R331-Y375 HydrophobicContact CG-CE2 4.04Å; H334-Y375 HydrophobicContact CB-CD2 3.57Å; H334-Y375 HydrophobicContact CB-CE2 4.34Å; H334-Y375 HydrophobicContact CB-CG 4.36Å; H334-Y375 AromaticContact CD2-CD2 3.06Å; H334-Y375 WeakPolarHBondContact CD2-CD2 3.39Å; H334-Y375 AromaticContact CD2-CE2 3.56Å; H334-Y375 AromaticContact CD2-CG 3.44Å; H334-Y375 VanDerWaalsContact CD2-CG 3.44Å; H334-Y375 AromaticContact CG-CD2 3.38Å; H334-Y375 AromaticContact CG-CG 3.81Å; H334-Y375 AromaticContact NE2-CD2 3.93Å; H334-Y375 AromaticContact NE2-CG 3.84Å; V335-Y375 HydrophobicContact CG2-CE2 4.32Å; S370-Y375 PolarHBondContact O-N 2.99Å; C371-Y375 CarbonylContact O-C 3.57Å; Y375-C377 HydrophobicContact CD1-CB 4.09Å; Y375-C377 PolarHBondContact O-N 3.38Å |
| 376 | E | 98.6 | Very high | 98.6 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | trans | 50.3 | 47.2 | -179.3 | -57.6 | 174.1 | 121.2 | 0 | 0 | 111.5 | R243 K327 R331 C371 R372 W404 | R243-E376 PolarHBondContact NH2-O 2.8Å; K327-E376 WeakPolarHBondContact CD-OE2 3.34Å; K327-E376 WeakPolarHBondContact CE-OE2 3.29Å; K327-E376 IonicContact NZ-OE1 3.69Å; K327-E376 PolarHBondContact NZ-OE1 3.37Å; K327-E376 IonicContact NZ-OE2 3.15Å; K327-E376 PolarHBondContact NZ-OE2 2.85Å; R331-E376 IonicContact CZ-OE2 2.74Å; R331-E376 VanDerWaalsContact CZ-OE2 3.23Å; R331-E376 IonicContact NH1-OE2 2.8Å; R331-E376 PolarHBondContact NH1-OE2 2.98Å; R331-E376 IonicContact NH2-OE2 2.87Å; R331-E376 PolarHBondContact NH2-OE2 3.18Å; C371-E376 PolarHBondContact O-N 2.92Å; R372-E376 WeakPolarHBondContact O-CA 3.39Å; R372-E376 PolarHBondContact O-N 2.84Å; E376-W404 PolarHBondContact O-NE1 2.98Å | ||
| 377 | C | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -118.6 | 14 | 175.9 | 72.2 | 0 | 0 | 0 | 0 | 114 | H49 C371 Y375 G403 W404 | H49-C377 VanDerWaalsContact CD2-SG 3.6Å; C371-C377 PolarHBondContact O-N 2.99Å; Y375-C377 HydrophobicContact CD1-CB 4.09Å; Y375-C377 PolarHBondContact O-N 3.38Å; C377-G403 CarbonylContact O-C 3.41Å; C377-G403 VanDerWaalsContact O-CA 3.24Å; C377-G403 WeakPolarHBondContact O-CA 3.46Å; C377-W404 HydrophobicContact CB-CD2 4.15Å; C377-W404 HydrophobicContact CB-CH2 4.04Å; C377-W404 HydrophobicContact CB-CZ2 3.61Å; C377-W404 HydrophobicContact CB-CZ3 4.47Å; C377-W404 PolarHBondContact O-N 2.78Å | ||
| 378 | S | 98.3 | Very high | 98.6 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | trans | -86.6 | -174.7 | 165.6 | -156.5 | 0 | 0 | 0 | 0 | 111.5 | D383 | S378-D383 VanDerWaalsContact CB-OD1 3.28Å; S378-D383 WeakPolarHBondContact CB-OD1 3.31Å; S378-D383 PolarHBondContact OG-OD1 2.98Å | ||
| 379 | C | 98.1 | Very high | 98.6 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 12% | 0.122 | 20% | 0.195 | C | C | . | . | trans | -148 | 164 | 166.9 | 75.1 | 0 | 0 | 0 | 0 | 110 | E381 L382 D383 | C379-E381 PolarHBondContact O-N 3.14Å; C379-E381 PolarHBondContact SG-OE2 3.5Å; C379-L382 WeakPolarHBondContact O-CB 3.2Å; C379-L382 PolarHBondContact O-N 2.91Å; C379-L382 PolarHBondContact SG-N 3.05Å; C379-L382 VanDerWaalsContact SG-N 3.44Å; C379-D383 PolarHBondContact O-N 3.48Å | ||
| 380 | P | 98.4 | Very high | 98.6 | Very high | 101 Ų | 101 | 38 Ų | 38 | 66% | 0.656 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -54.8 | -38 | -178.4 | -27.5 | 36.2 | 0 | 0 | 0 | 113.9 | D383 Q384 | P380-D383 PolarHBondContact O-N 2.87Å; P380-Q384 VanDerWaalsContact O-CB 3.32Å; P380-Q384 WeakPolarHBondContact O-CB 3.24Å; P380-Q384 PolarHBondContact O-N 3.37Å |
| 381 | E | 98.1 | Very high | 98.5 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 29% | 0.29 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.2 | -37.9 | 178.6 | -61.4 | 85.4 | 171.7 | 0 | 0 | 112.4 | C228 V230 C379 L385 | C228-E381 HydrophobicContact CB-CB 4.03Å; V230-E381 HydrophobicContact CG2-CB 3.85Å; V230-E381 HydrophobicContact CG2-CG 3.59Å; C379-E381 PolarHBondContact O-N 3.14Å; C379-E381 PolarHBondContact SG-OE2 3.5Å; E381-L385 VanDerWaalsContact O-CB 3.26Å; E381-L385 WeakPolarHBondContact O-CB 3.08Å; E381-L385 PolarHBondContact O-N 3.04Å |
| 382 | L | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 173.5 | -85.1 | 172.1 | 0 | 0 | 0 | 111 | C228 C379 Q384 L385 V386 L399 G405 A408 | C228-L382 HydrophobicContact CB-CD2 4.16Å; C228-L382 HydrophobicContact CB-CG 4.33Å; C379-L382 WeakPolarHBondContact O-CB 3.2Å; C379-L382 PolarHBondContact O-N 2.91Å; C379-L382 PolarHBondContact SG-N 3.05Å; C379-L382 VanDerWaalsContact SG-N 3.44Å; L382-Q384 VanDerWaalsContact C-N 3.35Å; L382-Q384 PolarHBondContact O-N 2.93Å; L382-L385 PolarHBondContact O-N 3.14Å; L382-V386 WeakPolarHBondContact O-CB 3.4Å; L382-V386 WeakPolarHBondContact O-CG2 3.42Å; L382-V386 PolarHBondContact O-N 2.96Å; L382-L399 HydrophobicContact CD1-CB 3.87Å; L382-L399 HydrophobicContact CD1-CD2 4.19Å; L382-L399 HydrophobicContact CD2-CB 4.1Å; L382-G405 WeakPolarHBondContact CD1-O 3.49Å; L382-A408 HydrophobicContact CD2-CB 4.49Å |
| 383 | D | 98.7 | Very high | 98.4 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 179.5 | -63.9 | -19.8 | 0 | 0 | 0 | 110.5 | H368 R372 S378 C379 P380 L385 V386 D387 | H368-D383 IonicContact CE1-OD1 2.77Å; H368-D383 IonicContact NE2-OD1 3.23Å; H368-D383 PolarHBondContact NE2-OD1 3.43Å; R372-D383 VanDerWaalsContact CD-CG 3.49Å; R372-D383 WeakPolarHBondContact CD-OD1 3.23Å; R372-D383 VanDerWaalsContact CD-OD2 3.32Å; R372-D383 WeakPolarHBondContact CD-OD2 3.31Å; S378-D383 VanDerWaalsContact CB-OD1 3.28Å; S378-D383 WeakPolarHBondContact CB-OD1 3.31Å; S378-D383 PolarHBondContact OG-OD1 2.98Å; C379-D383 PolarHBondContact O-N 3.48Å; P380-D383 PolarHBondContact O-N 2.87Å; D383-L385 PolarHBondContact O-N 3.36Å; D383-V386 PolarHBondContact O-N 2.89Å; D383-D387 WeakPolarHBondContact O-CB 3.44Å; D383-D387 PolarHBondContact O-N 3.5Å |
| 384 | Q | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 40.3 Ų | 40.3 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 174.3 | -175.5 | -174 | 22.7 | 0 | 0 | 111.9 | P380 L382 D387 I388 Y428 | P380-Q384 VanDerWaalsContact O-CB 3.32Å; P380-Q384 WeakPolarHBondContact O-CB 3.24Å; P380-Q384 PolarHBondContact O-N 3.37Å; L382-Q384 VanDerWaalsContact C-N 3.35Å; L382-Q384 PolarHBondContact O-N 2.93Å; Q384-D387 PolarHBondContact O-N 3.22Å; Q384-I388 HydrophobicContact CG-CD1 3.99Å; Q384-I388 WeakPolarHBondContact O-CG1 3Å; Q384-I388 PolarHBondContact O-N 2.59Å; Q384-Y428 HydrophobicContact CG-CE2 4.4Å |
| 385 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | -179.4 | 179.3 | 56.2 | 0 | 0 | 0 | 111.5 | S226 C228 E381 L382 D383 D387 I388 C389 A408 V424 Y428 | S226-L385 WeakPolarHBondContact O-CD2 3.41Å; C228-L385 HydrophobicContact CB-CD2 3.86Å; E381-L385 VanDerWaalsContact O-CB 3.26Å; E381-L385 WeakPolarHBondContact O-CB 3.08Å; E381-L385 PolarHBondContact O-N 3.04Å; L382-L385 PolarHBondContact O-N 3.14Å; D383-L385 PolarHBondContact O-N 3.36Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 2.9Å; L385-I388 PolarHBondContact O-N 2.88Å; L385-C389 PolarHBondContact O-N 2.68Å; L385-C389 PolarHBondContact O-SG 3.34Å; L385-A408 HydrophobicContact CD2-CB 4.43Å; L385-V424 HydrophobicContact CD1-CG1 4.16Å; L385-Y428 HydrophobicContact CB-CD2 4.25Å; L385-Y428 HydrophobicContact CB-CE2 3.91Å; L385-Y428 HydrophobicContact CD1-CD1 3.76Å; L385-Y428 HydrophobicContact CD1-CD2 4.02Å; L385-Y428 HydrophobicContact CD1-CE1 4.17Å; L385-Y428 HydrophobicContact CD1-CE2 4.39Å; L385-Y428 HydrophobicContact CD1-CG 3.67Å; L385-Y428 HydrophobicContact CD2-CE1 4.22Å |
| 386 | V | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 176 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | L382 D383 I388 C389 L390 S397 A408 | L382-V386 WeakPolarHBondContact O-CB 3.4Å; L382-V386 WeakPolarHBondContact O-CG2 3.42Å; L382-V386 PolarHBondContact O-N 2.96Å; D383-V386 PolarHBondContact O-N 2.89Å; V386-I388 VanDerWaalsContact C-N 3.32Å; V386-I388 PolarHBondContact O-N 2.91Å; V386-C389 WeakPolarHBondContact O-CB 3.26Å; V386-C389 PolarHBondContact O-N 3.22Å; V386-L390 HydrophobicContact CG1-CD1 4.1Å; V386-L390 HydrophobicContact CG1-CG 4.49Å; V386-L390 WeakPolarHBondContact O-CG 3.06Å; V386-L390 PolarHBondContact O-N 3.35Å; V386-S397 WeakPolarHBondContact CG1-O 3.21Å; V386-A408 HydrophobicContact CG2-CB 4.06Å |
| 387 | D | 98.8 | Very high | 98.4 | Very high | 74 Ų | 74 | 36.3 Ų | 36.3 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.1 | -81.7 | -8 | 0 | 0 | 0 | 112.2 | D383 Q384 L385 L390 K391 | D383-D387 WeakPolarHBondContact O-CB 3.44Å; D383-D387 PolarHBondContact O-N 3.5Å; Q384-D387 PolarHBondContact O-N 3.22Å; L385-D387 VanDerWaalsContact C-N 3.34Å; L385-D387 PolarHBondContact O-N 2.9Å; D387-L390 PolarHBondContact O-N 3.45Å; D387-K391 WeakPolarHBondContact O-CB 3.28Å; D387-K391 VanDerWaalsContact O-CG 3.28Å; D387-K391 WeakPolarHBondContact O-CG 3.33Å; D387-K391 PolarHBondContact O-N 3.38Å |
| 388 | I | 98.8 | Very high | 98.4 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 176.4 | -75 | 164.7 | 0 | 0 | 0 | 110.7 | Q384 L385 V386 L390 K391 S392 V424 A427 Y428 | Q384-I388 HydrophobicContact CG-CD1 3.99Å; Q384-I388 WeakPolarHBondContact O-CG1 3Å; Q384-I388 PolarHBondContact O-N 2.59Å; L385-I388 PolarHBondContact O-N 2.88Å; V386-I388 VanDerWaalsContact C-N 3.32Å; V386-I388 PolarHBondContact O-N 2.91Å; I388-L390 PolarHBondContact O-N 3.16Å; I388-K391 PolarHBondContact O-N 2.89Å; I388-S392 WeakPolarHBondContact O-CB 3.33Å; I388-S392 PolarHBondContact O-N 3.36Å; I388-S392 PolarHBondContact O-OG 3.14Å; I388-V424 HydrophobicContact CG2-CG2 4.39Å; I388-A427 HydrophobicContact CD1-CB 4.47Å; I388-A427 HydrophobicContact CG2-CB 3.69Å; I388-Y428 HydrophobicContact CD1-CD2 3.73Å; I388-Y428 HydrophobicContact CD1-CG 4.37Å |
| 389 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.6 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | L385 V386 S392 G393 A394 S410 F420 | L385-C389 PolarHBondContact O-N 2.68Å; L385-C389 PolarHBondContact O-SG 3.34Å; V386-C389 WeakPolarHBondContact O-CB 3.26Å; V386-C389 PolarHBondContact O-N 3.22Å; C389-S392 CarbonylContact O-C 3.59Å; C389-S392 PolarHBondContact O-N 3.48Å; C389-S392 VanDerWaalsContact O-N 3.15Å; C389-G393 PolarHBondContact O-N 3.14Å; C389-A394 HydrophobicContact CB-CB 4.3Å; C389-A394 WeakPolarHBondContact O-CB 3.06Å; C389-A394 PolarHBondContact O-N 2.8Å; C389-S410 WeakPolarHBondContact CB-OG 3.05Å; C389-S410 PolarHBondContact SG-OG 3.01Å; C389-F420 HydrophobicContact CB-CE2 3.87Å; C389-F420 HydrophobicContact CB-CZ 3.88Å; C389-F420 WeakPolarHBondContact O-CE2 3.28Å |
| 390 | L | 98.7 | Very high | 98.5 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 30% | 0.304 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.8 | -67.7 | 173 | 0 | 0 | 0 | 111.7 | V386 D387 I388 S392 G393 A394 | V386-L390 HydrophobicContact CG1-CD1 4.1Å; V386-L390 HydrophobicContact CG1-CG 4.49Å; V386-L390 WeakPolarHBondContact O-CG 3.06Å; V386-L390 PolarHBondContact O-N 3.35Å; D387-L390 PolarHBondContact O-N 3.45Å; I388-L390 PolarHBondContact O-N 3.16Å; L390-S392 PolarHBondContact O-N 2.83Å; L390-G393 PolarHBondContact O-N 3.39Å; L390-G393 VanDerWaalsContact O-N 3.12Å; L390-A394 HydrophobicContact CD2-CB 4.41Å |
| 391 | K | 98.5 | Very high | 98.4 | Very high | 176 Ų | 176 | 29.9 Ų | 29.9 | 77% | 0.765 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -62.5 | -27.9 | 175.6 | -71.5 | 170.1 | -174 | 168.1 | 0 | 112.9 | D387 I388 G393 | D387-K391 WeakPolarHBondContact O-CB 3.28Å; D387-K391 VanDerWaalsContact O-CG 3.28Å; D387-K391 WeakPolarHBondContact O-CG 3.33Å; D387-K391 PolarHBondContact O-N 3.38Å; I388-K391 PolarHBondContact O-N 2.89Å; K391-G393 VanDerWaalsContact C-N 3.3Å |
| 392 | S | 98.4 | Very high | 98.2 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.3 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | I388 C389 L390 | I388-S392 WeakPolarHBondContact O-CB 3.33Å; I388-S392 PolarHBondContact O-N 3.36Å; I388-S392 PolarHBondContact O-OG 3.14Å; C389-S392 CarbonylContact O-C 3.59Å; C389-S392 PolarHBondContact O-N 3.48Å; C389-S392 VanDerWaalsContact O-N 3.15Å; L390-S392 PolarHBondContact O-N 2.83Å |
| 393 | G | 97.2 | Very high | 98.1 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 22% | 0.216 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.9 | 12.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C389 L390 K391 | C389-G393 PolarHBondContact O-N 3.14Å; L390-G393 PolarHBondContact O-N 3.39Å; L390-G393 VanDerWaalsContact O-N 3.12Å; K391-G393 VanDerWaalsContact C-N 3.3Å |
| 394 | A | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | trans | -64.3 | 139.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | C389 L390 M411 V412 F420 | C389-A394 HydrophobicContact CB-CB 4.3Å; C389-A394 WeakPolarHBondContact O-CB 3.06Å; C389-A394 PolarHBondContact O-N 2.8Å; L390-A394 HydrophobicContact CD2-CB 4.41Å; A394-M411 CarbonylContact C-O 3.58Å; A394-M411 WeakPolarHBondContact CA-O 3.44Å; A394-V412 HydrophobicContact CB-CG2 4.46Å; A394-F420 HydrophobicContact CB-CD2 4.4Å; A394-F420 HydrophobicContact CB-CE2 3.71Å; A394-F420 HydrophobicContact CB-CZ 4.4Å | ||
| 395 | V | 97.8 | Very high | 98 | Very high | 46 Ų | 46 | 22.7 Ų | 22.7 | 28% | 0.279 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -81.6 | -32.8 | 175.1 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | I357 N365 M411 T413 | I357-V395 HydrophobicContact CG2-CB 4.25Å; I357-V395 HydrophobicContact CG2-CG1 4.2Å; I357-V395 HydrophobicContact CG2-CG2 4.03Å; I357-V395 WeakPolarHBondContact O-CG1 3.28Å; N365-V395 PolarHBondContact ND2-O 2.83Å; V395-M411 PolarHBondContact N-O 2.64Å; V395-T413 HydrophobicContact CG2-CG2 4.42Å |
| 396 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G361 N365 S410 M411 | G361-G396 WeakPolarHBondContact O-CA 3.47Å; N365-G396 VanDerWaalsContact OD1-CA 3.28Å; N365-G396 WeakPolarHBondContact OD1-CA 3.43Å; G396-S410 CarbonylContact O-C 3.57Å; G396-S410 VanDerWaalsContact O-CA 3.32Å; G396-S410 WeakPolarHBondContact O-CA 3.3Å; G396-M411 PolarHBondContact O-N 3.03Å |
| 397 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 135.7 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 111 | N365 V386 V409 S410 | N365-S397 PolarHBondContact OD1-N 3.24Å; N365-S397 PolarHBondContact OD1-O 3.48Å; V386-S397 WeakPolarHBondContact CG1-O 3.21Å; S397-V409 WeakPolarHBondContact CA-O 3.48Å; S397-S410 PolarHBondContact OG-OG 3.24Å |
| 398 | R | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 158.4 | -177.9 | 61.7 | 176.8 | -61.6 | -77.5 | -15.1 | 111.4 | N44 L45 E48 M364 S367 H368 A408 V409 | N44-R398 PolarHBondContact O-NH1 3.45Å; L45-R398 WeakPolarHBondContact O-CD 3.4Å; E48-R398 VanDerWaalsContact CB-NH2 3.34Å; E48-R398 IonicContact OE2-CZ 3.5Å; E48-R398 VanDerWaalsContact OE2-CZ 3.31Å; E48-R398 IonicContact OE2-NH1 2.94Å; E48-R398 PolarHBondContact OE2-NH1 3.2Å; E48-R398 IonicContact OE2-NH2 2.69Å; E48-R398 PolarHBondContact OE2-NH2 3.18Å; M364-R398 HydrophobicContact CB-CG 4.42Å; M364-R398 HydrophobicContact CE-CG 4.27Å; S367-R398 PolarHBondContact OG-NE 3.18Å; S367-R398 PolarHBondContact OG-NH2 2.98Å; H368-R398 HydrophobicContact CB-CB 3.63Å; R398-A408 CarbonylContact O-C 3.54Å; R398-A408 WeakPolarHBondContact O-CA 3.33Å; R398-A408 WeakPolarHBondContact O-CB 3.38Å; R398-V409 HydrophobicContact CG-CG1 3.7Å; R398-V409 PolarHBondContact N-O 3.15Å; R398-V409 PolarHBondContact O-N 2.75Å |
| 399 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 155.7 | 163.1 | 65.6 | 81.6 | 0 | 0 | 0 | 110.8 | E48 H368 C371 L382 C407 | E48-L399 HydrophobicContact CG-CD1 4.03Å; H368-L399 PolarHBondContact ND1-N 2.9Å; C371-L399 HydrophobicContact CB-CD1 4.3Å; C371-L399 HydrophobicContact CB-CD2 3.9Å; C371-L399 HydrophobicContact CB-CG 4.24Å; L382-L399 HydrophobicContact CD1-CB 3.87Å; L382-L399 HydrophobicContact CD1-CD2 4.19Å; L382-L399 HydrophobicContact CD2-CB 4.1Å; L399-C407 CarbonylContact C-O 3.44Å; L399-C407 WeakPolarHBondContact CA-O 3.33Å |
| 400 | T | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -131.3 | 143.6 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | V43 N44 L144 C407 V409 | V43-T400 HydrophobicContact CG2-CG2 4.13Å; N44-T400 PolarHBondContact N-OG1 2.93Å; L144-T400 HydrophobicContact CD2-CG2 4.16Å; T400-C407 HydrophobicContact CG2-CB 3.78Å; T400-C407 WeakPolarHBondContact CG2-O 3.33Å; T400-C407 PolarHBondContact N-O 3.07Å; T400-V409 HydrophobicContact CG2-CB 4.41Å | ||
| 401 | G | 96.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -159.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E48 G403 | E48-G401 WeakPolarHBondContact CG-O 3.5Å; E48-G401 VanDerWaalsContact OE1-C 3.28Å; E48-G401 WeakPolarHBondContact OE1-CA 3.48Å; E48-G401 PolarHBondContact OE1-N 2.76Å; E48-G401 VanDerWaalsContact OE1-N 3.09Å; E48-G401 VanDerWaalsContact OE1-O 3.11Å; E48-G401 PolarHBondContact OE2-N 3.45Å; E48-G401 VanDerWaalsContact OE2-N 3.13Å; G401-G403 PolarHBondContact O-N 2.89Å |
| 402 | A | 95.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 6.9 Ų | 6.9 | 6% | 0.058 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | H49 K234 Y240 W404 | H49-A402 PolarHBondContact NE2-O 2.74Å; K234-A402 HydrophobicContact CD-CB 4.4Å; K234-A402 HydrophobicContact CG-CB 3.94Å; Y240-A402 HydrophobicContact CD2-CB 3.82Å; Y240-A402 HydrophobicContact CE2-CB 4.03Å; A402-W404 HydrophobicContact CB-CE3 4.45Å; A402-W404 HydrophobicContact CB-CZ3 4.21Å; A402-W404 WeakPolarHBondContact O-CZ3 3.35Å |
| 403 | G | 96.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 3% | 0.031 | 5% | 0.049 | C | C | . | . | trans | 72.9 | -152 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | C377 G401 G405 | C377-G403 CarbonylContact O-C 3.41Å; C377-G403 VanDerWaalsContact O-CA 3.24Å; C377-G403 WeakPolarHBondContact O-CA 3.46Å; G401-G403 PolarHBondContact O-N 2.89Å; G403-G405 CarbonylContact C-O 3.44Å; G403-G405 PolarHBondContact O-N 2.93Å | ||
| 404 | W | 97.6 | Very high | 97.5 | Very high | 28 Ų | 28 | 9.7 Ų | 9.7 | 11% | 0.106 | 6% | 0.062 | C | C | . | . | S | Bend | trans | 52.3 | 29 | -165.4 | -53 | -78 | 0 | 0 | 0 | 113.5 | H49 M232 H239 Y240 R243 E376 C377 A402 | H49-W404 AromaticContact CE1-CH2 3.82Å; H49-W404 AromaticContact CE1-CZ3 3.99Å; M232-W404 HydrophobicContact CE-CB 3.48Å; M232-W404 VanDerWaalsContact CE-CB 3.48Å; M232-W404 HydrophobicContact CE-CG 4.42Å; M232-W404 WeakPolarHBondContact CE-O 3.21Å; M232-W404 HydrophobicContact CG-CB 4.09Å; M232-W404 HydrophobicContact SD-CB 4.46Å; H239-W404 HydrophobicContact CB-CD2 4.05Å; H239-W404 HydrophobicContact CB-CE3 4.25Å; H239-W404 HydrophobicContact CB-CH2 4.12Å; H239-W404 HydrophobicContact CB-CZ2 3.89Å; H239-W404 HydrophobicContact CB-CZ3 4.28Å; Y240-W404 HydrophobicContact CD2-CZ3 4.19Å; R243-W404 HydrophobicContact CG-CH2 3.89Å; R243-W404 HydrophobicContact CG-CZ2 3.87Å; E376-W404 PolarHBondContact O-NE1 2.98Å; C377-W404 HydrophobicContact CB-CD2 4.15Å; C377-W404 HydrophobicContact CB-CH2 4.04Å; C377-W404 HydrophobicContact CB-CZ2 3.61Å; C377-W404 HydrophobicContact CB-CZ3 4.47Å; C377-W404 PolarHBondContact O-N 2.78Å; A402-W404 HydrophobicContact CB-CE3 4.45Å; A402-W404 HydrophobicContact CB-CZ3 4.21Å; A402-W404 WeakPolarHBondContact O-CZ3 3.35Å |
| 405 | G | 96.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 132.8 | -173.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V230 L382 G403 | V230-G405 CarbonylContact O-C 3.42Å; L382-G405 WeakPolarHBondContact CD1-O 3.49Å; G403-G405 CarbonylContact C-O 3.44Å; G403-G405 PolarHBondContact O-N 2.93Å |
| 406 | G | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 79.8 | -138.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S142 N227 C228 V230 | S142-G406 VanDerWaalsContact C-CA 3.5Å; S142-G406 CarbonylContact O-C 3.48Å; S142-G406 VanDerWaalsContact O-CA 3.28Å; S142-G406 WeakPolarHBondContact O-CA 3.33Å; N227-G406 PolarHBondContact OD1-O 3.29Å; C228-G406 WeakPolarHBondContact CB-O 3.26Å; C228-G406 PolarHBondContact N-O 2.65Å; C228-G406 PolarHBondContact SG-N 3.38Å; C228-G406 PolarHBondContact SG-O 2.86Å; V230-G406 PolarHBondContact O-N 2.86Å |
| 407 | C | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 150.4 | -165.6 | -68.7 | 0 | 0 | 0 | 0 | 113.4 | S142 L144 I225 S226 N227 L399 T400 | S142-C407 VanDerWaalsContact O-CB 3.3Å; S142-C407 WeakPolarHBondContact O-CB 3.44Å; S142-C407 PolarHBondContact O-N 3Å; S142-C407 PolarHBondContact O-SG 2.91Å; L144-C407 HydrophobicContact CD2-CB 4.04Å; L144-C407 HydrophobicContact CG-CB 4.19Å; I225-C407 HydrophobicContact CG2-CB 3.89Å; S226-C407 CarbonylContact O-C 3.51Å; S226-C407 WeakPolarHBondContact O-CA 3.36Å; N227-C407 VanDerWaalsContact CB-SG 3.55Å; L399-C407 CarbonylContact C-O 3.44Å; L399-C407 WeakPolarHBondContact CA-O 3.33Å; T400-C407 HydrophobicContact CG2-CB 3.78Å; T400-C407 WeakPolarHBondContact CG2-O 3.33Å; T400-C407 PolarHBondContact N-O 3.07Å |
| 408 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 149.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I225 S226 L382 L385 V386 R398 | I225-A408 WeakPolarHBondContact CA-O 3.26Å; S226-A408 PolarHBondContact N-O 3.02Å; S226-A408 PolarHBondContact O-N 3.43Å; L382-A408 HydrophobicContact CD2-CB 4.49Å; L385-A408 HydrophobicContact CD2-CB 4.43Å; V386-A408 HydrophobicContact CG2-CB 4.06Å; R398-A408 CarbonylContact O-C 3.54Å; R398-A408 WeakPolarHBondContact O-CA 3.33Å; R398-A408 WeakPolarHBondContact O-CB 3.38Å |
| 409 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.3 | 166.5 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | V43 L45 F223 I225 M364 S397 R398 T400 | V43-V409 HydrophobicContact CG2-CB 3.6Å; V43-V409 HydrophobicContact CG2-CG1 4.03Å; V43-V409 HydrophobicContact CG2-CG2 3.67Å; L45-V409 HydrophobicContact CD2-CG2 4.3Å; F223-V409 HydrophobicContact CB-CG2 4.44Å; F223-V409 HydrophobicContact CD1-CG2 3.89Å; I225-V409 HydrophobicContact CD1-CB 4.05Å; I225-V409 HydrophobicContact CD1-CG2 4.02Å; M364-V409 HydrophobicContact CE-CG1 4.23Å; M364-V409 HydrophobicContact CE-CG2 4.47Å; S397-V409 WeakPolarHBondContact CA-O 3.48Å; R398-V409 HydrophobicContact CG-CG1 3.7Å; R398-V409 PolarHBondContact N-O 3.15Å; R398-V409 PolarHBondContact O-N 2.75Å; T400-V409 HydrophobicContact CG2-CB 4.41Å |
| 410 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.4 | 178.3 | -51.8 | 0 | 0 | 0 | 0 | 110 | F223 V224 C389 G396 S397 | F223-S410 CarbonylContact C-O 3.59Å; F223-S410 WeakPolarHBondContact CA-O 3.44Å; V224-S410 PolarHBondContact N-O 3.49Å; V224-S410 PolarHBondContact O-N 3.28Å; C389-S410 WeakPolarHBondContact CB-OG 3.05Å; C389-S410 PolarHBondContact SG-OG 3.01Å; G396-S410 CarbonylContact O-C 3.57Å; G396-S410 VanDerWaalsContact O-CA 3.32Å; G396-S410 WeakPolarHBondContact O-CA 3.3Å; S397-S410 PolarHBondContact OG-OG 3.24Å |
| 411 | M | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.4 | 172.1 | -174.9 | 175.2 | 56.4 | 0 | 0 | 109.4 | A221 F223 I357 L360 M364 A394 V395 G396 | A221-M411 HydrophobicContact CB-CG 4.25Å; A221-M411 HydrophobicContact CB-SD 4.15Å; F223-M411 HydrophobicContact CD1-CB 4.22Å; F223-M411 HydrophobicContact CE1-CB 3.9Å; F223-M411 HydrophobicContact CE1-CG 4.01Å; F223-M411 HydrophobicContact CE1-SD 4.13Å; F223-M411 HydrophobicContact CZ-CB 4.47Å; F223-M411 HydrophobicContact CZ-CG 4.08Å; F223-M411 HydrophobicContact CZ-SD 3.85Å; I357-M411 HydrophobicContact CG2-CE 4.01Å; I357-M411 HydrophobicContact CG2-SD 4.24Å; I357-M411 WeakPolarHBondContact O-CE 3.47Å; L360-M411 HydrophobicContact CB-CE 3.7Å; L360-M411 HydrophobicContact CB-SD 4.3Å; M364-M411 HydrophobicContact CE-CB 4.08Å; M364-M411 HydrophobicContact SD-CB 3.68Å; M364-M411 HydrophobicContact SD-CE 4.03Å; M364-M411 HydrophobicContact SD-SD 4.45Å; A394-M411 CarbonylContact C-O 3.58Å; A394-M411 WeakPolarHBondContact CA-O 3.44Å; V395-M411 PolarHBondContact N-O 2.64Å; G396-M411 PolarHBondContact O-N 3.03Å |
| 412 | V | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 151.7 | -175.1 | -159.6 | 0 | 0 | 0 | 0 | 108.3 | V222 V224 A394 K416 F420 | V222-V412 PolarHBondContact N-O 2.86Å; V222-V412 PolarHBondContact O-N 3.09Å; V224-V412 HydrophobicContact CG2-CG2 3.9Å; A394-V412 HydrophobicContact CB-CG2 4.46Å; V412-K416 HydrophobicContact CG1-CB 3.79Å; V412-F420 HydrophobicContact CG1-CB 3.92Å; V412-F420 HydrophobicContact CG1-CD2 4.28Å; V412-F420 HydrophobicContact CG1-CG 4.07Å; V412-F420 HydrophobicContact CG2-CD1 3.86Å; V412-F420 HydrophobicContact CG2-CD2 3.95Å; V412-F420 HydrophobicContact CG2-CE1 4.01Å; V412-F420 HydrophobicContact CG2-CE2 4.08Å; V412-F420 HydrophobicContact CG2-CG 3.83Å; V412-F420 HydrophobicContact CG2-CZ 4.1Å |
| 413 | T | 95.8 | Very high | 97.3 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 22% | 0.221 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 148.2 | 169.5 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | G220 I357 V395 E415 K416 A417 | G220-T413 CarbonylContact O-C 3.57Å; G220-T413 WeakPolarHBondContact O-CA 3.47Å; I357-T413 HydrophobicContact CG2-CG2 4.48Å; V395-T413 HydrophobicContact CG2-CG2 4.42Å; T413-E415 PolarHBondContact O-N 2.98Å; T413-K416 PolarHBondContact O-N 3.44Å; T413-K416 WeakPolarHBondContact OG1-CG 3.45Å; T413-A417 PolarHBondContact O-N 3.05Å; T413-A417 VanDerWaalsContact O-N 3.09Å |
| 414 | S | 93.7 | Very high | 97.4 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -52.2 | -40.4 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | G220 K416 A417 | G220-S414 PolarHBondContact O-N 2.91Å; S414-K416 VanDerWaalsContact C-N 3.3Å; S414-K416 PolarHBondContact O-N 3.4Å; S414-A417 PolarHBondContact O-N 3.35Å |
| 415 | E | 95.1 | Very high | 97.4 | Very high | 174 Ų | 174 | 38.2 Ų | 38.2 | 81% | 0.813 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -62 | -34 | 176.7 | -61.8 | 176.5 | 178.6 | 0 | 0 | 113.2 | T413 | T413-E415 PolarHBondContact O-N 2.98Š|
| 416 | K | 96.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 46% | 0.457 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -94.2 | -9.4 | -176.4 | -69.8 | -176.2 | 180 | -178.5 | 0 | 113.5 | V412 T413 S414 A418 S419 F420 | V412-K416 HydrophobicContact CG1-CB 3.79Å; T413-K416 PolarHBondContact O-N 3.44Å; T413-K416 WeakPolarHBondContact OG1-CG 3.45Å; S414-K416 VanDerWaalsContact C-N 3.3Å; S414-K416 PolarHBondContact O-N 3.4Å; K416-A418 VanDerWaalsContact C-N 3.34Å; K416-A418 PolarHBondContact O-N 3Å; K416-S419 PolarHBondContact O-N 3.05Å; K416-S419 PolarHBondContact O-OG 2.94Å; K416-F420 WeakPolarHBondContact O-CB 3.5Å; K416-F420 PolarHBondContact O-N 2.95Å |
| 417 | A | 96.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -44.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V222 T413 S414 F420 L421 | V222-A417 HydrophobicContact CB-CB 4.43Å; V222-A417 HydrophobicContact CG1-CB 4.19Å; V222-A417 HydrophobicContact CG2-CB 4.48Å; T413-A417 PolarHBondContact O-N 3.05Å; T413-A417 VanDerWaalsContact O-N 3.09Å; S414-A417 PolarHBondContact O-N 3.35Å; A417-F420 PolarHBondContact O-N 2.84Å; A417-L421 WeakPolarHBondContact O-CG 3.38Å; A417-L421 PolarHBondContact O-N 3.23Å |
| 418 | A | 97.3 | Very high | 97.5 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 47% | 0.471 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.7 | -40.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K416 R422 | K416-A418 VanDerWaalsContact C-N 3.34Å; K416-A418 PolarHBondContact O-N 3Å; A418-R422 PolarHBondContact O-N 2.89Å; A418-R422 PolarHBondContact O-NH1 2.86Å |
| 419 | S | 98.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.2 | -37.3 | 175.7 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | K416 R422 A423 | K416-S419 PolarHBondContact O-N 3.05Å; K416-S419 PolarHBondContact O-OG 2.94Å; S419-R422 PolarHBondContact O-N 2.82Å; S419-A423 WeakPolarHBondContact O-CB 3.48Å; S419-A423 PolarHBondContact O-N 2.95Å |
| 420 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -50.8 | 176.2 | 172.3 | -91.6 | 0 | 0 | 0 | 111.3 | V224 C389 A394 V412 K416 A417 R422 A423 V424 | V224-F420 HydrophobicContact CB-CD1 4.3Å; V224-F420 HydrophobicContact CB-CE1 3.72Å; V224-F420 HydrophobicContact CG1-CD1 4.25Å; V224-F420 HydrophobicContact CG1-CE1 3.69Å; V224-F420 HydrophobicContact CG2-CD1 4.01Å; V224-F420 HydrophobicContact CG2-CE1 3.93Å; C389-F420 HydrophobicContact CB-CE2 3.87Å; C389-F420 HydrophobicContact CB-CZ 3.88Å; C389-F420 WeakPolarHBondContact O-CE2 3.28Å; A394-F420 HydrophobicContact CB-CD2 4.4Å; A394-F420 HydrophobicContact CB-CE2 3.71Å; A394-F420 HydrophobicContact CB-CZ 4.4Å; V412-F420 HydrophobicContact CG1-CB 3.92Å; V412-F420 HydrophobicContact CG1-CD2 4.28Å; V412-F420 HydrophobicContact CG1-CG 4.07Å; V412-F420 HydrophobicContact CG2-CD1 3.86Å; V412-F420 HydrophobicContact CG2-CD2 3.95Å; V412-F420 HydrophobicContact CG2-CE1 4.01Å; V412-F420 HydrophobicContact CG2-CE2 4.08Å; V412-F420 HydrophobicContact CG2-CG 3.83Å; V412-F420 HydrophobicContact CG2-CZ 4.1Å; K416-F420 WeakPolarHBondContact O-CB 3.5Å; K416-F420 PolarHBondContact O-N 2.95Å; A417-F420 PolarHBondContact O-N 2.84Å; F420-R422 VanDerWaalsContact C-N 3.29Å; F420-R422 PolarHBondContact O-N 3.19Å; F420-A423 PolarHBondContact O-N 2.93Å; F420-V424 HydrophobicContact CD1-CG2 4.3Å; F420-V424 HydrophobicContact CD2-CG2 4.13Å; F420-V424 HydrophobicContact CE1-CG2 3.9Å; F420-V424 HydrophobicContact CE2-CG2 3.73Å; F420-V424 HydrophobicContact CG-CG2 4.4Å; F420-V424 HydrophobicContact CZ-CG2 3.62Å; F420-V424 WeakPolarHBondContact O-CG2 3.32Å; F420-V424 PolarHBondContact O-N 2.65Å |
| 421 | L | 98.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 178.8 | -72.4 | 168.1 | 0 | 0 | 0 | 112.1 | V224 A417 R425 L443 V445 | V224-L421 HydrophobicContact CG1-CD2 3.68Å; A417-L421 WeakPolarHBondContact O-CG 3.38Å; A417-L421 PolarHBondContact O-N 3.23Å; L421-R425 VanDerWaalsContact O-CB 3.26Å; L421-R425 WeakPolarHBondContact O-CB 3.17Å; L421-R425 PolarHBondContact O-N 3.36Å; L421-L443 HydrophobicContact CD2-CD1 4.04Å; L421-L443 HydrophobicContact CD2-CD2 4.17Å; L421-L443 HydrophobicContact CD2-CG 3.74Å; L421-L443 WeakPolarHBondContact O-CD2 3.37Å; L421-V445 HydrophobicContact CD1-CG2 3.97Å |
| 422 | R | 98.1 | Very high | 97.2 | Very high | 134 Ų | 134 | 55 Ų | 55 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -48.2 | 176.7 | -69.6 | -170.3 | -61.4 | -89.5 | 3.8 | 111.6 | A418 S419 F420 V424 R425 D426 | A418-R422 PolarHBondContact O-N 2.89Å; A418-R422 PolarHBondContact O-NH1 2.86Å; S419-R422 PolarHBondContact O-N 2.82Å; F420-R422 VanDerWaalsContact C-N 3.29Å; F420-R422 PolarHBondContact O-N 3.19Å; R422-V424 PolarHBondContact O-N 3.38Å; R422-R425 WeakPolarHBondContact O-CB 3.42Å; R422-R425 PolarHBondContact O-N 3.06Å; R422-D426 WeakPolarHBondContact O-CB 3.24Å; R422-D426 PolarHBondContact O-N 3.03Å |
| 423 | A | 98.4 | Very high | 97 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S419 F420 D426 A427 | S419-A423 WeakPolarHBondContact O-CB 3.48Å; S419-A423 PolarHBondContact O-N 2.95Å; F420-A423 PolarHBondContact O-N 2.93Å; A423-D426 PolarHBondContact O-N 3.48Å; A423-A427 WeakPolarHBondContact O-CB 3.38Å; A423-A427 PolarHBondContact O-N 2.84Å |
| 424 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | L385 I388 F420 R422 D426 A427 Y428 Y429 L443 | L385-V424 HydrophobicContact CD1-CG1 4.16Å; I388-V424 HydrophobicContact CG2-CG2 4.39Å; F420-V424 HydrophobicContact CD1-CG2 4.3Å; F420-V424 HydrophobicContact CD2-CG2 4.13Å; F420-V424 HydrophobicContact CE1-CG2 3.9Å; F420-V424 HydrophobicContact CE2-CG2 3.73Å; F420-V424 HydrophobicContact CG-CG2 4.4Å; F420-V424 HydrophobicContact CZ-CG2 3.62Å; F420-V424 WeakPolarHBondContact O-CG2 3.32Å; F420-V424 PolarHBondContact O-N 2.65Å; R422-V424 PolarHBondContact O-N 3.38Å; V424-D426 PolarHBondContact O-N 3.46Å; V424-A427 PolarHBondContact O-N 2.82Å; V424-Y428 WeakPolarHBondContact O-CB 3.3Å; V424-Y428 PolarHBondContact O-N 3.23Å; V424-Y429 HydrophobicContact CG1-CD2 4.4Å; V424-Y429 HydrophobicContact CG1-CE2 3.99Å; V424-L443 HydrophobicContact CB-CD1 4.45Å; V424-L443 HydrophobicContact CB-CD2 4.21Å; V424-L443 HydrophobicContact CG1-CD1 3.96Å; V424-L443 HydrophobicContact CG1-CD2 4.13Å |
| 425 | R | 97.9 | Very high | 96.8 | Very high | 87 Ų | 87 | 66 Ų | 66 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -52.4 | -56.7 | 172 | 172.2 | -170.9 | -66.4 | 134.7 | 6.7 | 110.6 | L421 R422 A427 Y429 T430 E439 L443 | L421-R425 VanDerWaalsContact O-CB 3.26Å; L421-R425 WeakPolarHBondContact O-CB 3.17Å; L421-R425 PolarHBondContact O-N 3.36Å; R422-R425 WeakPolarHBondContact O-CB 3.42Å; R422-R425 PolarHBondContact O-N 3.06Å; R425-A427 VanDerWaalsContact C-N 3.31Å; R425-A427 PolarHBondContact O-N 3.19Å; R425-Y429 PolarHBondContact O-N 2.93Å; R425-T430 PolarHBondContact O-N 3.4Å; R425-T430 PolarHBondContact O-OG1 3.2Å; R425-E439 WeakPolarHBondContact CD-OE2 3.46Å; R425-E439 HydrophobicContact CG-CG 4.36Å; R425-E439 WeakPolarHBondContact CG-OE2 3.34Å; R425-E439 IonicContact CZ-OE1 3.47Å; R425-E439 IonicContact NE-OE1 2.62Å; R425-E439 PolarHBondContact NE-OE1 3.19Å; R425-E439 IonicContact NE-OE2 2.85Å; R425-E439 PolarHBondContact NE-OE2 3.35Å; R425-E439 IonicContact NH2-OE1 3.59Å; R425-E439 PolarHBondContact NH2-OE1 2.62Å; R425-L443 HydrophobicContact CB-CD2 4.22Å |
| 426 | D | 97.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 59.7 Ų | 59.7 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -67.1 | -34.1 | -172.7 | -62.7 | -16 | 0 | 0 | 0 | 111.7 | R422 A423 V424 P431 | R422-D426 WeakPolarHBondContact O-CB 3.24Å; R422-D426 PolarHBondContact O-N 3.03Å; A423-D426 PolarHBondContact O-N 3.48Å; V424-D426 PolarHBondContact O-N 3.46Å; D426-P431 WeakPolarHBondContact O-CD 3.46Å; D426-P431 WeakPolarHBondContact O-CG 3.27Å |
| 427 | A | 98.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -85.4 | -34 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I388 A423 V424 R425 | I388-A427 HydrophobicContact CD1-CB 4.47Å; I388-A427 HydrophobicContact CG2-CB 3.69Å; A423-A427 WeakPolarHBondContact O-CB 3.38Å; A423-A427 PolarHBondContact O-N 2.84Å; V424-A427 PolarHBondContact O-N 2.82Å; R425-A427 VanDerWaalsContact C-N 3.31Å; R425-A427 PolarHBondContact O-N 3.19Å |
| 428 | Y | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -112.7 | -38.6 | -173.4 | -169.9 | -100.4 | 0 | 0 | 0 | 114.5 | C228 Q384 L385 I388 V424 R435 | C228-Y428 WeakPolarHBondContact CA-OH 3.36Å; C228-Y428 WeakPolarHBondContact CB-OH 3.38Å; C228-Y428 PolarHBondContact O-OH 2.76Å; Q384-Y428 HydrophobicContact CG-CE2 4.4Å; L385-Y428 HydrophobicContact CB-CD2 4.25Å; L385-Y428 HydrophobicContact CB-CE2 3.91Å; L385-Y428 HydrophobicContact CD1-CD1 3.76Å; L385-Y428 HydrophobicContact CD1-CD2 4.02Å; L385-Y428 HydrophobicContact CD1-CE1 4.17Å; L385-Y428 HydrophobicContact CD1-CE2 4.39Å; L385-Y428 HydrophobicContact CD1-CG 3.67Å; L385-Y428 HydrophobicContact CD2-CE1 4.22Å; I388-Y428 HydrophobicContact CD1-CD2 3.73Å; I388-Y428 HydrophobicContact CD1-CG 4.37Å; V424-Y428 WeakPolarHBondContact O-CB 3.3Å; V424-Y428 PolarHBondContact O-N 3.23Å; Y428-R435 VanDerWaalsContact CE2-NH1 3.28Å; Y428-R435 WeakPolarHBondContact O-CD 3.45Å; Y428-R435 PolarHBondContact OH-NH2 2.94Å |
| 429 | Y | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -94.7 | -52.4 | -171.7 | -66.2 | -83.3 | 0 | 0 | 0 | 112.3 | N227 V424 R425 P431 D432 R435 A436 E439 S442 L443 | N227-Y429 PolarHBondContact N-OH 2.84Å; N227-Y429 VanDerWaalsContact N-OH 3.07Å; N227-Y429 WeakPolarHBondContact O-CE1 3.4Å; N227-Y429 PolarHBondContact O-OH 2.61Å; V424-Y429 HydrophobicContact CG1-CD2 4.4Å; V424-Y429 HydrophobicContact CG1-CE2 3.99Å; R425-Y429 PolarHBondContact O-N 2.93Å; Y429-P431 VanDerWaalsContact C-N 3.33Å; Y429-D432 PolarHBondContact O-N 2.99Å; Y429-R435 HydrophobicContact CD1-CB 3.99Å; Y429-A436 PolarHBondContact O-N 3.34Å; Y429-E439 HydrophobicContact CD1-CB 4.42Å; Y429-E439 HydrophobicContact CD1-CG 4.43Å; Y429-E439 HydrophobicContact CD2-CG 4.45Å; Y429-E439 HydrophobicContact CG-CB 4.45Å; Y429-E439 HydrophobicContact CG-CG 4.07Å; Y429-S442 PolarHBondContact OH-O 3.48Å; Y429-L443 HydrophobicContact CD2-CD2 4.24Å; Y429-L443 HydrophobicContact CE2-CB 3.87Å; Y429-L443 HydrophobicContact CE2-CD1 4.33Å; Y429-L443 HydrophobicContact CE2-CD2 4.03Å; Y429-L443 HydrophobicContact CE2-CG 4.3Å |
| 430 | T | 96.8 | Very high | 95.4 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -36.8 | -178.1 | -58.8 | 0 | 0 | 0 | 0 | 114.4 | R425 D432 | R425-T430 PolarHBondContact O-N 3.4Å; R425-T430 PolarHBondContact O-OG1 3.2Å; T430-D432 VanDerWaalsContact C-N 3.29Å; T430-D432 PolarHBondContact O-N 3.33Å |
| 431 | P | 97 | Very high | 94.9 | Very high | 93 Ų | 93 | 72 Ų | 72 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.9 | -179 | -23.9 | 36.7 | 0 | 0 | 0 | 115.3 | D426 Y429 | D426-P431 WeakPolarHBondContact O-CD 3.46Å; D426-P431 WeakPolarHBondContact O-CG 3.27Å; Y429-P431 VanDerWaalsContact C-N 3.33Å |
| 432 | D | 95.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -117.1 | 116.4 | 177 | -176.4 | -43.2 | 0 | 0 | 0 | 110 | Y429 T430 R434 R435 A436 | Y429-D432 PolarHBondContact O-N 2.99Å; T430-D432 VanDerWaalsContact C-N 3.29Å; T430-D432 PolarHBondContact O-N 3.33Å; D432-R434 PolarHBondContact O-N 2.94Å; D432-R434 VanDerWaalsContact O-N 3.1Å; D432-R434 WeakPolarHBondContact OD1-CA 3.49Å; D432-R434 VanDerWaalsContact OD1-CB 3.24Å; D432-R434 WeakPolarHBondContact OD1-CB 3.3Å; D432-R434 PolarHBondContact OD1-N 3.22Å; D432-R434 IonicContact OD1-NE 3.42Å; D432-R434 PolarHBondContact OD1-NE 2.76Å; D432-R434 IonicContact OD2-CZ 3.93Å; D432-R434 IonicContact OD2-NE 3.56Å; D432-R434 IonicContact OD2-NH2 2.89Å; D432-R434 PolarHBondContact OD2-NH2 2.83Å; D432-R434 VanDerWaalsContact OD2-NH2 3.14Å; D432-R435 HydrophobicContact CB-CB 4.12Å; D432-R435 HydrophobicContact CB-CG 3.97Å; D432-R435 PolarHBondContact O-N 3.4Å; D432-R435 PolarHBondContact OD1-N 3.26Å; D432-A436 PolarHBondContact O-N 3.03Å |
| 433 | P | 93.9 | Very high | 94.7 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 70% | 0.695 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.5 | -32 | -179.4 | -28 | 35.1 | 0 | 0 | 0 | 115 | A437 | P433-A437 PolarHBondContact O-N 2.88Å; P433-A437 VanDerWaalsContact O-N 3.08Å |
| 434 | R | 92.4 | Very high | 94.6 | Very high | 184 Ų | 184 | 63.9 Ų | 63.9 | 69% | 0.694 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.7 | -41.9 | 177.8 | -60.8 | 175.3 | -68 | 175.5 | 0.2 | 110.8 | D432 A437 M438 | D432-R434 PolarHBondContact O-N 2.94Å; D432-R434 VanDerWaalsContact O-N 3.1Å; D432-R434 WeakPolarHBondContact OD1-CA 3.49Å; D432-R434 VanDerWaalsContact OD1-CB 3.24Å; D432-R434 WeakPolarHBondContact OD1-CB 3.3Å; D432-R434 PolarHBondContact OD1-N 3.22Å; D432-R434 IonicContact OD1-NE 3.42Å; D432-R434 PolarHBondContact OD1-NE 2.76Å; D432-R434 IonicContact OD2-CZ 3.93Å; D432-R434 IonicContact OD2-NE 3.56Å; D432-R434 IonicContact OD2-NH2 2.89Å; D432-R434 PolarHBondContact OD2-NH2 2.83Å; D432-R434 VanDerWaalsContact OD2-NH2 3.14Å; R434-A437 PolarHBondContact O-N 2.83Å; R434-M438 WeakPolarHBondContact O-CE 3.1Å |
| 435 | R | 94.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 175.8 | -63.7 | -177.9 | -177 | 167.7 | -1.9 | 110.9 | C229 Y428 Y429 D432 A437 M438 E439 | C229-R435 HydrophobicContact CB-CG 4.2Å; Y428-R435 VanDerWaalsContact CE2-NH1 3.28Å; Y428-R435 WeakPolarHBondContact O-CD 3.45Å; Y428-R435 PolarHBondContact OH-NH2 2.94Å; Y429-R435 HydrophobicContact CD1-CB 3.99Å; D432-R435 HydrophobicContact CB-CB 4.12Å; D432-R435 HydrophobicContact CB-CG 3.97Å; D432-R435 PolarHBondContact O-N 3.4Å; D432-R435 PolarHBondContact OD1-N 3.26Å; R435-A437 VanDerWaalsContact C-N 3.3Å; R435-A437 PolarHBondContact O-N 3.13Å; R435-M438 CarbonylContact O-C 3.54Å; R435-M438 PolarHBondContact O-N 3.46Å; R435-E439 PolarHBondContact O-N 3.39Å; R435-E439 VanDerWaalsContact O-N 3.09Å |
| 436 | A | 93.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y429 D432 M438 E439 | Y429-A436 PolarHBondContact O-N 3.34Å; D432-A436 PolarHBondContact O-N 3.03Å; A436-M438 PolarHBondContact O-N 2.84Å; A436-E439 WeakPolarHBondContact O-CB 3.2Å; A436-E439 PolarHBondContact O-N 3.12Å |
| 437 | A | 92.2 | Very high | 94.2 | Very high | 88 Ų | 88 | 65 Ų | 65 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.2 | -27.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P433 R434 R435 | P433-A437 PolarHBondContact O-N 2.88Å; P433-A437 VanDerWaalsContact O-N 3.08Å; R434-A437 PolarHBondContact O-N 2.83Å; R435-A437 VanDerWaalsContact C-N 3.3Å; R435-A437 PolarHBondContact O-N 3.13Å |
| 438 | M | 89.3 | Confident | 94.1 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 1.6 | -179.3 | -63.7 | -172 | -75.6 | 0 | 0 | 113.5 | C229 R434 R435 A436 K440 Q441 S442 | C229-M438 HydrophobicContact CB-CE 3.61Å; R434-M438 WeakPolarHBondContact O-CE 3.1Å; R435-M438 CarbonylContact O-C 3.54Å; R435-M438 PolarHBondContact O-N 3.46Å; A436-M438 PolarHBondContact O-N 2.84Å; M438-K440 PolarHBondContact O-N 3.19Å; M438-Q441 HydrophobicContact CB-CG 4.24Å; M438-Q441 WeakPolarHBondContact O-CG 3.19Å; M438-Q441 PolarHBondContact O-N 2.66Å; M438-S442 WeakPolarHBondContact O-CB 3.47Å; M438-S442 PolarHBondContact O-N 3.43Å; M438-S442 PolarHBondContact O-OG 3.21Å |
| 439 | E | 90.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.6 | -47.2 | -168.8 | -173.6 | -137.2 | 125.9 | 0 | 0 | 112.7 | R425 Y429 R435 A436 Q441 S442 L443 | R425-E439 WeakPolarHBondContact CD-OE2 3.46Å; R425-E439 HydrophobicContact CG-CG 4.36Å; R425-E439 WeakPolarHBondContact CG-OE2 3.34Å; R425-E439 IonicContact CZ-OE1 3.47Å; R425-E439 IonicContact NE-OE1 2.62Å; R425-E439 PolarHBondContact NE-OE1 3.19Å; R425-E439 IonicContact NE-OE2 2.85Å; R425-E439 PolarHBondContact NE-OE2 3.35Å; R425-E439 IonicContact NH2-OE1 3.59Å; R425-E439 PolarHBondContact NH2-OE1 2.62Å; Y429-E439 HydrophobicContact CD1-CB 4.42Å; Y429-E439 HydrophobicContact CD1-CG 4.43Å; Y429-E439 HydrophobicContact CD2-CG 4.45Å; Y429-E439 HydrophobicContact CG-CB 4.45Å; Y429-E439 HydrophobicContact CG-CG 4.07Å; R435-E439 PolarHBondContact O-N 3.39Å; R435-E439 VanDerWaalsContact O-N 3.09Å; A436-E439 WeakPolarHBondContact O-CB 3.2Å; A436-E439 PolarHBondContact O-N 3.12Å; E439-Q441 PolarHBondContact O-N 3.11Å; E439-Q441 VanDerWaalsContact O-N 3.14Å; E439-S442 PolarHBondContact O-N 3.01Å; E439-L443 PolarHBondContact O-N 3.39Å |
| 440 | K | 88.3 | Confident | 94.1 | Very high | 196 Ų | 196 | 65.7 Ų | 65.7 | 85% | 0.852 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.5 | -31.3 | -177.2 | -69 | -175.3 | 179.2 | 179.4 | 0 | 113.7 | M438 | M438-K440 PolarHBondContact O-N 3.19Å |
| 441 | Q | 87.6 | Confident | 94.1 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -94.4 | -9.5 | 177.1 | 60.6 | 179.6 | 25.4 | 0 | 0 | 112.9 | P139 M438 E439 | P139-Q441 WeakPolarHBondContact CG-O 3.42Å; M438-Q441 HydrophobicContact CB-CG 4.24Å; M438-Q441 WeakPolarHBondContact O-CG 3.19Å; M438-Q441 PolarHBondContact O-N 2.66Å; E439-Q441 PolarHBondContact O-N 3.11Å; E439-Q441 VanDerWaalsContact O-N 3.14Å |
| 442 | S | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -107.8 | -23.1 | -171.2 | -63 | 0 | 0 | 0 | 0 | 113.5 | S226 N227 Y429 M438 E439 | S226-S442 CarbonylContact C-O 3.56Å; S226-S442 VanDerWaalsContact CA-O 3.25Å; S226-S442 WeakPolarHBondContact CA-O 3.47Å; N227-S442 PolarHBondContact N-O 2.98Å; Y429-S442 PolarHBondContact OH-O 3.48Å; M438-S442 WeakPolarHBondContact O-CB 3.47Å; M438-S442 PolarHBondContact O-N 3.43Å; M438-S442 PolarHBondContact O-OG 3.21Å; E439-S442 PolarHBondContact O-N 3.01Å |
| 443 | L | 97.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 105.8 | -177.9 | -177.4 | 64.4 | 0 | 0 | 0 | 110.5 | V224 I225 L421 V424 R425 Y429 E439 | V224-L443 HydrophobicContact CG1-CD1 3.9Å; I225-L443 WeakPolarHBondContact O-CA 3.18Å; L421-L443 HydrophobicContact CD2-CD1 4.04Å; L421-L443 HydrophobicContact CD2-CD2 4.17Å; L421-L443 HydrophobicContact CD2-CG 3.74Å; L421-L443 WeakPolarHBondContact O-CD2 3.37Å; V424-L443 HydrophobicContact CB-CD1 4.45Å; V424-L443 HydrophobicContact CB-CD2 4.21Å; V424-L443 HydrophobicContact CG1-CD1 3.96Å; V424-L443 HydrophobicContact CG1-CD2 4.13Å; R425-L443 HydrophobicContact CB-CD2 4.22Å; Y429-L443 HydrophobicContact CD2-CD2 4.24Å; Y429-L443 HydrophobicContact CE2-CB 3.87Å; Y429-L443 HydrophobicContact CE2-CD1 4.33Å; Y429-L443 HydrophobicContact CE2-CD2 4.03Å; Y429-L443 HydrophobicContact CE2-CG 4.3Å; E439-L443 PolarHBondContact O-N 3.39Å |
| 444 | F | 96.9 | Very high | 94.5 | Very high | 25 Ų | 25 | 52 Ų | 52 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.7 | -175.8 | 59.3 | -89 | 0 | 0 | 0 | 113.4 | L144 V224 I225 | L144-F444 HydrophobicContact CD1-CZ 4.13Å; V224-F444 WeakPolarHBondContact CA-O 3.44Å; V224-F444 WeakPolarHBondContact CG1-O 3.49Å; I225-F444 HydrophobicContact CB-CD1 4.41Å; I225-F444 HydrophobicContact CB-CD2 4.23Å; I225-F444 HydrophobicContact CB-CE1 3.97Å; I225-F444 HydrophobicContact CB-CE2 3.78Å; I225-F444 HydrophobicContact CB-CZ 3.63Å; I225-F444 HydrophobicContact CG1-CD2 4.35Å; I225-F444 HydrophobicContact CG1-CE2 3.71Å; I225-F444 HydrophobicContact CG1-CZ 3.93Å; I225-F444 HydrophobicContact CG2-CE1 3.96Å; I225-F444 HydrophobicContact CG2-CE2 4.37Å; I225-F444 HydrophobicContact CG2-CZ 3.73Å; I225-F444 PolarHBondContact N-O 3.31Å; I225-F444 PolarHBondContact O-N 2.96Å |
| 445 | V | 96.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 44 Ų | 44 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 141.4 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | V222 V224 L421 | V222-V445 HydrophobicContact CG1-CB 4.45Å; V222-V445 HydrophobicContact CG1-CG1 3.5Å; V222-V445 HydrophobicContact CG1-CG2 4.15Å; V224-V445 HydrophobicContact CG2-CG2 4.16Å; L421-V445 HydrophobicContact CD1-CG2 3.97Å |
| 446 | T | 95.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.2 | 174.7 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | M60 I62 F223 I225 | M60-T446 HydrophobicContact CE-CG2 3.55Å; I62-T446 HydrophobicContact CG2-CG2 4.42Å; I62-T446 WeakPolarHBondContact CG2-OG1 3.16Å; F223-T446 HydrophobicContact CB-CG2 4.03Å; F223-T446 PolarHBondContact O-N 3.22Å; I225-T446 HydrophobicContact CD1-CG2 4.01Å; I225-T446 HydrophobicContact CG1-CG2 3.77Å |
| 447 | K | 93.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 46.8 Ų | 46.8 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | trans | -134.4 | 161.3 | 172.4 | -64.7 | -179.8 | -178.1 | 177.9 | 0 | 108.6 | A449 | K447-A449 PolarHBondContact O-N 2.87Š| ||
| 448 | P | 97.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | trans | -61.3 | 113.5 | 177.3 | -15 | 23.9 | 0 | 0 | 0 | 111.3 | M60 K199 G200 T201 L217 | M60-P448 HydrophobicContact CB-CB 4.16Å; M60-P448 HydrophobicContact SD-CB 3.97Å; M60-P448 HydrophobicContact SD-CG 3.56Å; M60-P448 VanDerWaalsContact SD-CG 3.56Å; K199-P448 WeakPolarHBondContact CA-O 3.2Å; G200-P448 PolarHBondContact N-O 3.48Å; T201-P448 VanDerWaalsContact C-CB 3.49Å; T201-P448 VanDerWaalsContact O-CB 3.24Å; T201-P448 WeakPolarHBondContact O-CB 3.32Å; L217-P448 HydrophobicContact CD1-CG 4Å | ||
| 449 | A | 97 | Very high | 94.7 | Very high | 13 Ų | 13 | 50 Ų | 50 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | trans | -88.2 | 170.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A61 I62 E63 E198 K447 | A61-A449 HydrophobicContact CB-CB 4.26Å; A61-A449 PolarHBondContact O-N 2.72Å; I62-A449 VanDerWaalsContact C-CB 3.48Å; I62-A449 WeakPolarHBondContact O-CB 3.26Å; E63-A449 HydrophobicContact CG-CB 4.24Å; E198-A449 CarbonylContact C-O 3.43Å; K447-A449 PolarHBondContact O-N 2.87Å | ||
| 450 | G | 96.7 | Very high | 94.9 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | trans | -77.7 | 159.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P40 | P40-G450 WeakPolarHBondContact CG-O 3.34Š| ||
| 451 | G | 97.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 19% | 0.186 | 23% | 0.227 | C | C | . | . | trans | -75 | -174.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S194 A197 | S194-G451 CarbonylContact O-C 3.6Å; S194-G451 WeakPolarHBondContact O-CA 3.17Å; A197-G451 PolarHBondContact O-N 3.47Å | ||
| 452 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -60.1 | 144.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | C38 A39 L156 S194 F195 | C38-A452 WeakPolarHBondContact O-CA 3.33Å; C38-A452 VanDerWaalsContact O-CB 3.24Å; C38-A452 WeakPolarHBondContact O-CB 3.32Å; A39-A452 HydrophobicContact CB-CB 4.04Å; L156-A452 HydrophobicContact CD2-CB 4.08Å; S194-A452 WeakPolarHBondContact O-CB 3.28Å; S194-A452 PolarHBondContact O-N 3.28Å; F195-A452 HydrophobicContact CD1-CB 3.7Å; F195-A452 HydrophobicContact CE1-CB 3.83Å | ||
| 453 | A | 98.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 153.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P6 L8 C38 L455 | P6-A453 HydrophobicContact CG-CB 3.89Å; L8-A453 HydrophobicContact CD1-CB 3.88Å; L8-A453 HydrophobicContact CG-CB 4.25Å; C38-A453 PolarHBondContact N-O 3.41Å; C38-A453 PolarHBondContact O-N 3.44Å; C38-A453 VanDerWaalsContact O-N 3.08Å; A453-L455 HydrophobicContact CB-CD2 4.11Å |
| 454 | V | 98.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.5 | 163.3 | 175.2 | 0 | 0 | 0 | 0 | 107.5 | P6 K7 L8 F35 Y36 L156 E160 L456 | P6-V454 PolarHBondContact O-N 3.25Å; K7-V454 CarbonylContact C-O 3.54Å; K7-V454 WeakPolarHBondContact CA-O 3.37Å; K7-V454 HydrophobicContact CG-CB 4.2Å; K7-V454 HydrophobicContact CG-CG1 4.5Å; L8-V454 PolarHBondContact N-O 2.97Å; F35-V454 HydrophobicContact CB-CG1 4.46Å; F35-V454 HydrophobicContact CD2-CG1 4.04Å; Y36-V454 CarbonylContact O-C 3.56Å; Y36-V454 WeakPolarHBondContact O-CA 3.47Å; L156-V454 HydrophobicContact CD1-CG2 4.05Å; L156-V454 HydrophobicContact CD2-CG2 4.18Å; L156-V454 HydrophobicContact CG-CG2 4Å; E160-V454 HydrophobicContact CB-CG2 4.46Å; E160-V454 HydrophobicContact CG-CG1 4.37Å; E160-V454 HydrophobicContact CG-CG2 4.37Å; V454-L456 HydrophobicContact CG1-CD2 4.32Å |
| 455 | L | 97.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.8 | 179.1 | -37.7 | 172.1 | 0 | 0 | 0 | 109.5 | L8 I10 Y36 L67 A453 | L8-L455 HydrophobicContact CB-CD2 3.96Å; L8-L455 HydrophobicContact CD1-CD2 4.11Å; L8-L455 HydrophobicContact CG-CD2 4.43Å; L8-L455 CarbonylContact O-C 3.5Å; L8-L455 VanDerWaalsContact O-CA 3.3Å; L8-L455 WeakPolarHBondContact O-CA 3.17Å; I10-L455 HydrophobicContact CD1-CB 3.55Å; I10-L455 HydrophobicContact CD1-CD1 4.13Å; I10-L455 HydrophobicContact CD1-CG 4.46Å; I10-L455 HydrophobicContact CG1-CB 3.91Å; I10-L455 HydrophobicContact CG2-CB 4.23Å; I10-L455 HydrophobicContact CG2-CD2 4.4Å; Y36-L455 PolarHBondContact N-O 3.16Å; Y36-L455 PolarHBondContact O-N 3.36Å; L67-L455 HydrophobicContact CD1-CD1 3.9Å; A453-L455 HydrophobicContact CB-CD2 4.11Å |
| 456 | L | 96.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.8 | 179.8 | -59.1 | 174.9 | 0 | 0 | 0 | 108.5 | K7 L8 K9 I10 F35 V454 | K7-L456 HydrophobicContact CB-CD1 4.36Å; L8-L456 PolarHBondContact O-N 3.44Å; K9-L456 CarbonylContact C-O 3.57Å; K9-L456 WeakPolarHBondContact CA-O 3.3Å; I10-L456 VanDerWaalsContact CG1-O 3.26Å; I10-L456 WeakPolarHBondContact CG1-O 3.28Å; I10-L456 PolarHBondContact N-O 3.31Å; F35-L456 HydrophobicContact CB-CD2 3.78Å; V454-L456 HydrophobicContact CG1-CD2 4.32Å |
| 457 | E | 91.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 136.2 | 170.7 | -175.8 | 167.4 | -162 | 0 | 0 | 109.3 | I12 K22 | I12-E457 HydrophobicContact CD1-CB 4.08Å; I12-E457 HydrophobicContact CD1-CG 3.77Å; I12-E457 WeakPolarHBondContact CD1-OE1 3.43Å; I12-E457 VanDerWaalsContact CD1-OE2 3.28Å; I12-E457 WeakPolarHBondContact CD1-OE2 3.36Å; I12-E457 HydrophobicContact CG1-CB 4.35Å; I12-E457 HydrophobicContact CG1-CG 3.91Å; K22-E457 IonicContact NZ-OE1 3.71Å; K22-E457 PolarHBondContact NZ-OE1 2.96Å; K22-E457 IonicContact NZ-OE2 3.73Å; K22-E457 PolarHBondContact NZ-OE2 3.21Å |
| 458 | E | 84.4 | Confident | 95.8 | Very high | 161 Ų | 161 | 37.5 Ų | 37.5 | 75% | 0.752 | 22% | 0.215 | S | C | * | . | trans | -69.9 | 0 | 178.7 | -73.6 | -155.7 | 149.4 | 0 | 0 | 115 | K9 I10 | K9-E458 HydrophobicContact CB-CG 3.77Å; K9-E458 WeakPolarHBondContact CB-OE1 3.49Å; K9-E458 HydrophobicContact CD-CG 4.2Å; K9-E458 HydrophobicContact CG-CG 4.4Å; I10-E458 PolarHBondContact O-N 3.22Å |
Retrieved 458 of 458 residues in 846.2 ms
(Link to these results)