| 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 | 59.3 | Low | 80 | Confident | 138 Ų | 138 | 89.8 Ų | 89.8 | 68% | 0.68 | 44% | 0.437 | S | S | * | . | 0 | 128.6 | 0 | -63.5 | 173.3 | -166.6 | 0 | 0 | 106.9 | I3 V77 | M1-I3 PolarHBondContact O-N 3.02Å; M1-I3 VanDerWaalsContact O-N 3.08Å; M1-V77 HydrophobicContact CE-CG2 3.14Å; M1-V77 HydrophobicContact SD-CG2 3.98Å | |||
| 2 | P | 70.5 | Confident | 80.8 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | trans | -72 | 102.6 | 175.5 | 28.8 | -29.5 | 0 | 0 | 0 | 108.4 | N41 Y42 N43 | P2-N41 WeakPolarHBondContact CG-O 3.29Å; P2-Y42 HydrophobicContact CB-CD1 4.22Å; P2-Y42 HydrophobicContact CB-CD2 4.29Å; P2-Y42 HydrophobicContact CB-CE1 4.14Å; P2-Y42 HydrophobicContact CB-CE2 4.2Å; P2-Y42 HydrophobicContact CB-CG 4.33Å; P2-Y42 HydrophobicContact CG-CD2 4.48Å; P2-Y42 WeakPolarHBondContact O-CA 3.4Å; P2-N43 PolarHBondContact O-N 2.98Å | ||
| 3 | I | 74.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 79 Ų | 79 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 140.1 | 172.1 | -62.9 | 166.6 | 0 | 0 | 0 | 106.6 | M1 D5 | M1-I3 PolarHBondContact O-N 3.02Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-D5 PolarHBondContact O-N 3.46Å |
| 4 | A | 77 | Confident | 82.1 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -70.8 | 95.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E9 R10 I13 Y42 | A4-E9 HydrophobicContact CB-CB 3.8Å; A4-R10 HydrophobicContact CB-CG 3.96Å; A4-R10 WeakPolarHBondContact O-CG 3.3Å; A4-R10 PolarHBondContact O-NE 3.2Å; A4-I13 HydrophobicContact CB-CG2 4.13Å; A4-Y42 HydrophobicContact CB-CD1 3.94Å | ||
| 5 | D | 77.9 | Confident | 82.6 | Confident | 117 Ų | 117 | 82.2 Ų | 82.2 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | trans | -88.8 | -42.7 | -175.5 | -73.3 | -20.9 | 0 | 0 | 0 | 111.5 | I3 E9 | I3-D5 PolarHBondContact O-N 3.46Å; D5-E9 PolarHBondContact N-OE2 2.7Å | ||
| 6 | S | 84.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -75 | 149.5 | -179.3 | 73.5 | 0 | 0 | 0 | 0 | 111.9 | L8 E9 R10 | S6-L8 PolarHBondContact O-N 2.93Å; S6-E9 VanDerWaalsContact CB-OE2 3.3Å; S6-E9 WeakPolarHBondContact CB-OE2 3.34Å; S6-E9 PolarHBondContact N-OE2 3.26Å; S6-E9 PolarHBondContact O-N 2.81Å; S6-E9 WeakPolarHBondContact OG-CB 3.12Å; S6-E9 WeakPolarHBondContact OG-CG 3.41Å; S6-E9 PolarHBondContact OG-N 3.31Å; S6-E9 PolarHBondContact OG-OE2 3.22Å; S6-R10 WeakPolarHBondContact O-CG 3.5Å; S6-R10 PolarHBondContact O-N 3.49Å |
| 7 | R | 85.4 | Confident | 83.6 | Confident | 213 Ų | 213 | 73.4 Ų | 73.4 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -56.6 | -37.5 | 177.8 | -178 | 176.2 | 175.7 | 140.1 | -0.9 | 112.4 | L11 | R7-L11 HydrophobicContact CG-CD1 4.3Å; R7-L11 WeakPolarHBondContact O-CG 3.27Å; R7-L11 PolarHBondContact O-N 3.1Å; R7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | L | 87.6 | Confident | 83.9 | Confident | 104 Ų | 104 | 74.7 Ų | 74.7 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -47.1 | 179.1 | -177 | 64.8 | 0 | 0 | 0 | 111.3 | S6 R10 L11 Q12 V36 | S6-L8 PolarHBondContact O-N 2.93Å; L8-R10 VanDerWaalsContact C-N 3.32Å; L8-R10 PolarHBondContact O-N 3.43Å; L8-L11 PolarHBondContact O-N 2.99Å; L8-Q12 HydrophobicContact CD1-CG 4.32Å; L8-Q12 WeakPolarHBondContact O-CG 3.48Å; L8-Q12 PolarHBondContact O-N 3.42Å; L8-V36 HydrophobicContact CD2-CG2 4.28Å; L8-V36 HydrophobicContact CG-CG2 4.32Å |
| 9 | E | 87.6 | Confident | 84.3 | Confident | 31 Ų | 31 | 71 Ų | 71 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 175 | -74.7 | 162.5 | 154.9 | 0 | 0 | 111.2 | A4 D5 S6 L11 Q12 I13 V36 Y42 | A4-E9 HydrophobicContact CB-CB 3.8Å; D5-E9 PolarHBondContact N-OE2 2.7Å; S6-E9 VanDerWaalsContact CB-OE2 3.3Å; S6-E9 WeakPolarHBondContact CB-OE2 3.34Å; S6-E9 PolarHBondContact N-OE2 3.26Å; S6-E9 PolarHBondContact O-N 2.81Å; S6-E9 WeakPolarHBondContact OG-CB 3.12Å; S6-E9 WeakPolarHBondContact OG-CG 3.41Å; S6-E9 PolarHBondContact OG-N 3.31Å; S6-E9 PolarHBondContact OG-OE2 3.22Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.27Å; E9-Q12 PolarHBondContact O-N 2.86Å; E9-I13 WeakPolarHBondContact O-CB 3.44Å; E9-I13 WeakPolarHBondContact O-CG2 3.3Å; E9-I13 PolarHBondContact O-N 3.34Å; E9-V36 HydrophobicContact CG-CG1 3.96Å; E9-V36 HydrophobicContact CG-CG2 4.13Å; E9-Y42 HydrophobicContact CG-CE1 4.14Å; E9-Y42 WeakPolarHBondContact OE1-CE1 3.1Å; E9-Y42 PolarHBondContact OE1-OH 3.41Å |
| 10 | R | 87.3 | Confident | 84.6 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 41% | 0.408 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 179 | -68 | -174.7 | -177.3 | -174.6 | 3 | 113.2 | A4 S6 L8 I13 R14 P45 | A4-R10 HydrophobicContact CB-CG 3.96Å; A4-R10 WeakPolarHBondContact O-CG 3.3Å; A4-R10 PolarHBondContact O-NE 3.2Å; S6-R10 WeakPolarHBondContact O-CG 3.5Å; S6-R10 PolarHBondContact O-N 3.49Å; L8-R10 VanDerWaalsContact C-N 3.32Å; L8-R10 PolarHBondContact O-N 3.43Å; R10-I13 WeakPolarHBondContact O-CG2 3.35Å; R10-R14 WeakPolarHBondContact O-CB 2.91Å; R10-R14 VanDerWaalsContact O-CG 3.27Å; R10-R14 WeakPolarHBondContact O-CG 3.43Å; R10-R14 PolarHBondContact O-N 2.78Å; R10-P45 HydrophobicContact CG-CG 4.05Å |
| 11 | L | 88.3 | Confident | 84.8 | Confident | 97 Ų | 97 | 68.4 Ų | 68.4 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 177.3 | -71.9 | 174.2 | 0 | 0 | 0 | 111.5 | R7 L8 E9 K15 | R7-L11 HydrophobicContact CG-CD1 4.3Å; R7-L11 WeakPolarHBondContact O-CG 3.27Å; R7-L11 PolarHBondContact O-N 3.1Å; R7-L11 VanDerWaalsContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 2.99Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.47Å; L11-K15 PolarHBondContact O-N 3.08Å |
| 12 | Q | 89.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.3 | -38 | -179.5 | -69.6 | -169.9 | -3.2 | 0 | 0 | 112.7 | L8 E9 K15 L16 L39 | L8-Q12 HydrophobicContact CD1-CG 4.32Å; L8-Q12 WeakPolarHBondContact O-CG 3.48Å; L8-Q12 PolarHBondContact O-N 3.42Å; E9-Q12 PolarHBondContact O-N 2.86Å; Q12-K15 PolarHBondContact O-N 3.03Å; Q12-L16 WeakPolarHBondContact O-CB 3.45Å; Q12-L16 PolarHBondContact O-N 3.07Å; Q12-L39 HydrophobicContact CB-CD1 4.21Å; Q12-L39 HydrophobicContact CB-CD2 3.68Å |
| 13 | I | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.7 | -166.7 | 61.1 | 0 | 0 | 0 | 110.8 | A4 E9 R10 K15 L16 L17 L39 | A4-I13 HydrophobicContact CB-CG2 4.13Å; E9-I13 WeakPolarHBondContact O-CB 3.44Å; E9-I13 WeakPolarHBondContact O-CG2 3.3Å; E9-I13 PolarHBondContact O-N 3.34Å; R10-I13 WeakPolarHBondContact O-CG2 3.35Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.11Å; I13-L16 HydrophobicContact CD1-CD2 3.97Å; I13-L16 WeakPolarHBondContact O-CB 3.43Å; I13-L16 PolarHBondContact O-N 3.17Å; I13-L17 HydrophobicContact CG1-CD1 4.36Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 3.41Å; I13-L39 HydrophobicContact CB-CD1 4.09Å; I13-L39 HydrophobicContact CD1-CD1 4.29Å; I13-L39 HydrophobicContact CD1-CG 4.42Å |
| 14 | R | 89.2 | Confident | 87.9 | Confident | 114 Ų | 114 | 68.9 Ų | 68.9 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 173.8 | -75.1 | 176.8 | 176.5 | 167.1 | -1.4 | 111.7 | R10 Q18 D46 | R10-R14 WeakPolarHBondContact O-CB 2.91Å; R10-R14 VanDerWaalsContact O-CG 3.27Å; R10-R14 WeakPolarHBondContact O-CG 3.43Å; R10-R14 PolarHBondContact O-N 2.78Å; R14-Q18 WeakPolarHBondContact O-CB 3.15Å; R14-Q18 PolarHBondContact O-N 3.26Å; R14-D46 IonicContact CZ-OD2 3.96Å; R14-D46 IonicContact NE-OD2 3.41Å; R14-D46 IonicContact NH2-OD1 2.76Å; R14-D46 PolarHBondContact NH2-OD1 3.13Å; R14-D46 IonicContact NH2-OD2 3.58Å; R14-D46 PolarHBondContact NH2-OD2 3.1Å |
| 15 | K | 90.1 | Very high | 88.5 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 175 | -172.5 | 60.5 | -178.2 | 176.2 | 0 | 111.8 | L11 Q12 I13 Q18 C19 L31 | L11-K15 WeakPolarHBondContact O-CB 3.47Å; L11-K15 PolarHBondContact O-N 3.08Å; Q12-K15 PolarHBondContact O-N 3.03Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.11Å; K15-Q18 WeakPolarHBondContact O-CB 3.42Å; K15-Q18 PolarHBondContact O-N 3.39Å; K15-C19 PolarHBondContact O-N 3.22Å; K15-C19 PolarHBondContact O-SG 3.11Å; K15-L31 HydrophobicContact CG-CD1 4.16Å |
| 16 | L | 90.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 175.6 | -175.3 | 71.8 | 0 | 0 | 0 | 111 | Q12 I13 Q18 C19 V20 I28 L31 L39 A51 | Q12-L16 WeakPolarHBondContact O-CB 3.45Å; Q12-L16 PolarHBondContact O-N 3.07Å; I13-L16 HydrophobicContact CD1-CD2 3.97Å; I13-L16 WeakPolarHBondContact O-CB 3.43Å; I13-L16 PolarHBondContact O-N 3.17Å; L16-Q18 VanDerWaalsContact C-N 3.3Å; L16-Q18 PolarHBondContact O-N 3.08Å; L16-C19 WeakPolarHBondContact O-CB 3.35Å; L16-C19 PolarHBondContact O-N 2.97Å; L16-C19 VanDerWaalsContact O-N 3.1Å; L16-V20 WeakPolarHBondContact O-CG2 3.15Å; L16-V20 PolarHBondContact O-N 3.02Å; L16-I28 HydrophobicContact CD1-CB 4.46Å; L16-I28 HydrophobicContact CD1-CG1 4.32Å; L16-I28 HydrophobicContact CD1-CG2 3.96Å; L16-L31 HydrophobicContact CB-CD1 4.22Å; L16-L31 HydrophobicContact CD1-CB 4.35Å; L16-L31 HydrophobicContact CD1-CD1 4.03Å; L16-L39 HydrophobicContact CD2-CD2 4.45Å; L16-L39 HydrophobicContact CD2-CG 4.31Å; L16-A51 HydrophobicContact CD2-CB 3.89Å; L16-A51 HydrophobicContact CG-CB 4.42Å |
| 17 | L | 90.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 177.5 | -67.7 | 170.2 | 0 | 0 | 0 | 111.9 | I13 V20 N21 D44 I49 | I13-L17 HydrophobicContact CG1-CD1 4.36Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.29Å; I13-L17 PolarHBondContact O-N 3.41Å; L17-V20 PolarHBondContact O-N 2.89Å; L17-N21 WeakPolarHBondContact O-CB 3.36Å; L17-N21 VanDerWaalsContact O-CG 3.28Å; L17-N21 PolarHBondContact O-N 3.18Å; L17-N21 PolarHBondContact O-ND2 3.42Å; L17-D44 HydrophobicContact CD1-CB 3.78Å; L17-I49 HydrophobicContact CD2-CG2 4.46Å |
| 18 | Q | 89.9 | Confident | 89.6 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 172.6 | -170.2 | -173.4 | 28 | 0 | 0 | 111.6 | R14 K15 L16 N21 N22 | R14-Q18 WeakPolarHBondContact O-CB 3.15Å; R14-Q18 PolarHBondContact O-N 3.26Å; K15-Q18 WeakPolarHBondContact O-CB 3.42Å; K15-Q18 PolarHBondContact O-N 3.39Å; L16-Q18 VanDerWaalsContact C-N 3.3Å; L16-Q18 PolarHBondContact O-N 3.08Å; Q18-N21 PolarHBondContact O-N 3.17Å; Q18-N22 WeakPolarHBondContact O-CB 3.46Å; Q18-N22 VanDerWaalsContact O-CG 3.26Å; Q18-N22 PolarHBondContact O-N 3.39Å |
| 19 | C | 90.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 177.7 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | K15 L16 N22 K23 D24 Q27 I28 | K15-C19 PolarHBondContact O-N 3.22Å; K15-C19 PolarHBondContact O-SG 3.11Å; L16-C19 WeakPolarHBondContact O-CB 3.35Å; L16-C19 PolarHBondContact O-N 2.97Å; L16-C19 VanDerWaalsContact O-N 3.1Å; C19-N22 CarbonylContact O-C 3.5Å; C19-N22 PolarHBondContact O-N 2.95Å; C19-K23 PolarHBondContact O-N 3.24Å; C19-D24 PolarHBondContact O-N 3.47Å; C19-Q27 HydrophobicContact CB-CB 4.31Å; C19-I28 HydrophobicContact CB-CG1 3.78Å |
| 20 | V | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | L16 L17 N22 K23 I28 A51 A55 L67 | L16-V20 WeakPolarHBondContact O-CG2 3.15Å; L16-V20 PolarHBondContact O-N 3.02Å; L17-V20 PolarHBondContact O-N 2.89Å; V20-N22 PolarHBondContact O-N 3.35Å; V20-K23 PolarHBondContact O-N 3.42Å; V20-I28 HydrophobicContact CB-CD1 4.48Å; V20-I28 HydrophobicContact CG2-CD1 3.75Å; V20-I28 HydrophobicContact CG2-CG1 4.33Å; V20-A51 HydrophobicContact CG2-CB 4.29Å; V20-A55 HydrophobicContact CG1-CB 3.71Å; V20-L67 HydrophobicContact CG2-CD1 4.35Å |
| 21 | N | 88.2 | Confident | 89.8 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -31.8 | 177.7 | -70.7 | -19.1 | 0 | 0 | 0 | 112.5 | L17 Q18 K23 S54 | L17-N21 WeakPolarHBondContact O-CB 3.36Å; L17-N21 VanDerWaalsContact O-CG 3.28Å; L17-N21 PolarHBondContact O-N 3.18Å; L17-N21 PolarHBondContact O-ND2 3.42Å; Q18-N21 PolarHBondContact O-N 3.17Å; N21-K23 VanDerWaalsContact C-N 3.29Å; N21-S54 PolarHBondContact OD1-OG 3.23Å |
| 22 | N | 89.8 | Confident | 89.7 | Confident | 112 Ų | 112 | 60.2 Ų | 60.2 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.5 | 175 | -68.7 | -8.9 | 0 | 0 | 0 | 113.8 | Q18 C19 V20 D24 | Q18-N22 WeakPolarHBondContact O-CB 3.46Å; Q18-N22 VanDerWaalsContact O-CG 3.26Å; Q18-N22 PolarHBondContact O-N 3.39Å; C19-N22 CarbonylContact O-C 3.5Å; C19-N22 PolarHBondContact O-N 2.95Å; V20-N22 PolarHBondContact O-N 3.35Å; N22-D24 PolarHBondContact O-N 2.8Å |
| 23 | K | 89.3 | Confident | 89.6 | Confident | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.8 | -176.4 | -48.2 | -168.3 | 177.9 | -160.9 | 0 | 113.8 | C19 V20 N21 I25 S58 D60 | C19-K23 PolarHBondContact O-N 3.24Å; V20-K23 PolarHBondContact O-N 3.42Å; N21-K23 VanDerWaalsContact C-N 3.29Å; K23-I25 PolarHBondContact O-N 2.77Å; K23-S58 PolarHBondContact NZ-O 2.99Å; K23-D60 HydrophobicContact CD-CB 4.24Å; K23-D60 WeakPolarHBondContact CG-OD2 3.16Å |
| 24 | D | 90.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | trans | -91.6 | 85.5 | -176 | -170.2 | -19.8 | 0 | 0 | 0 | 111.2 | C19 N22 D26 Q27 I28 | C19-D24 PolarHBondContact O-N 3.47Å; N22-D24 PolarHBondContact O-N 2.8Å; D24-D26 VanDerWaalsContact C-N 3.28Å; D24-D26 PolarHBondContact O-N 3.09Å; D24-D26 PolarHBondContact OD1-N 2.96Å; D24-Q27 HydrophobicContact CB-CB 4.32Å; D24-Q27 HydrophobicContact CB-CG 4.44Å; D24-Q27 PolarHBondContact O-N 3.28Å; D24-Q27 WeakPolarHBondContact OD1-CG 3.4Å; D24-Q27 PolarHBondContact OD1-N 2.83Å; D24-Q27 WeakPolarHBondContact OD2-CG 3.21Å; D24-I28 WeakPolarHBondContact O-CD1 3.36Å; D24-I28 VanDerWaalsContact O-CG1 3.26Å; D24-I28 WeakPolarHBondContact O-CG1 3.22Å; D24-I28 PolarHBondContact O-N 2.9Å; D24-I28 VanDerWaalsContact O-N 3.16Å | ||
| 25 | I | 90.4 | Very high | 89.2 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 30% | 0.303 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | -177.1 | -60.7 | 172 | 0 | 0 | 0 | 111.7 | K23 I28 K29 T63 F66 | K23-I25 PolarHBondContact O-N 2.77Å; I25-I28 PolarHBondContact O-N 3.48Å; I25-K29 WeakPolarHBondContact O-CB 3.36Å; I25-K29 PolarHBondContact O-N 3.19Å; I25-T63 HydrophobicContact CD1-CG2 4.42Å; I25-T63 HydrophobicContact CG1-CG2 3.83Å; I25-F66 HydrophobicContact CG2-CD1 3.95Å; I25-F66 HydrophobicContact CG2-CD2 3.81Å; I25-F66 HydrophobicContact CG2-CE1 4.01Å; I25-F66 HydrophobicContact CG2-CE2 3.87Å; I25-F66 HydrophobicContact CG2-CG 3.85Å; I25-F66 HydrophobicContact CG2-CZ 3.97Å |
| 26 | D | 90.6 | Very high | 88.9 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 62% | 0.62 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.5 | -41.2 | -177.7 | -70.1 | -28.1 | 0 | 0 | 0 | 111.6 | D24 K29 K30 | D24-D26 VanDerWaalsContact C-N 3.28Å; D24-D26 PolarHBondContact O-N 3.09Å; D24-D26 PolarHBondContact OD1-N 2.96Å; D26-K29 PolarHBondContact O-N 3.33Å; D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 3.43Å; D26-K30 VanDerWaalsContact O-N 3.11Å |
| 27 | Q | 89.3 | Confident | 88.5 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.8 | -37.3 | 174.3 | -68.3 | -66.8 | -26.5 | 0 | 0 | 112.1 | C19 D24 K29 K30 L31 | C19-Q27 HydrophobicContact CB-CB 4.31Å; D24-Q27 HydrophobicContact CB-CB 4.32Å; D24-Q27 HydrophobicContact CB-CG 4.44Å; D24-Q27 PolarHBondContact O-N 3.28Å; D24-Q27 WeakPolarHBondContact OD1-CG 3.4Å; D24-Q27 PolarHBondContact OD1-N 2.83Å; D24-Q27 WeakPolarHBondContact OD2-CG 3.21Å; Q27-K29 VanDerWaalsContact C-N 3.32Å; Q27-K29 PolarHBondContact O-N 3.16Å; Q27-K30 PolarHBondContact O-N 3.02Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 2.87Å |
| 28 | I | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 173.9 | -65.7 | 166 | 0 | 0 | 0 | 109.6 | L16 C19 V20 D24 I25 K30 L31 I32 T63 F66 L67 | L16-I28 HydrophobicContact CD1-CB 4.46Å; L16-I28 HydrophobicContact CD1-CG1 4.32Å; L16-I28 HydrophobicContact CD1-CG2 3.96Å; C19-I28 HydrophobicContact CB-CG1 3.78Å; V20-I28 HydrophobicContact CB-CD1 4.48Å; V20-I28 HydrophobicContact CG2-CD1 3.75Å; V20-I28 HydrophobicContact CG2-CG1 4.33Å; D24-I28 WeakPolarHBondContact O-CD1 3.36Å; D24-I28 VanDerWaalsContact O-CG1 3.26Å; D24-I28 WeakPolarHBondContact O-CG1 3.22Å; D24-I28 PolarHBondContact O-N 2.9Å; D24-I28 VanDerWaalsContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.48Å; I28-K30 PolarHBondContact O-N 3.26Å; I28-L31 PolarHBondContact O-N 3.41Å; I28-I32 HydrophobicContact CG2-CD1 3.71Å; I28-I32 HydrophobicContact CG2-CG1 4.4Å; I28-I32 VanDerWaalsContact O-CG1 3.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.46Å; I28-I32 PolarHBondContact O-N 3Å; I28-T63 HydrophobicContact CD1-CG2 4.34Å; I28-F66 HydrophobicContact CB-CE1 4.4Å; I28-F66 HydrophobicContact CG2-CD1 4.21Å; I28-F66 HydrophobicContact CG2-CE1 3.86Å; I28-L67 HydrophobicContact CG2-CD2 3.91Å |
| 29 | K | 89.4 | Confident | 88.1 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 177.5 | -172 | 176.1 | 173.7 | -179.7 | 0 | 112.3 | I25 D26 Q27 L31 I32 E33 F66 | I25-K29 WeakPolarHBondContact O-CB 3.36Å; I25-K29 PolarHBondContact O-N 3.19Å; D26-K29 PolarHBondContact O-N 3.33Å; Q27-K29 VanDerWaalsContact C-N 3.32Å; Q27-K29 PolarHBondContact O-N 3.16Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.07Å; K29-I32 PolarHBondContact O-N 3.43Å; K29-I32 VanDerWaalsContact O-N 3.17Å; K29-E33 WeakPolarHBondContact CE-OE1 3.38Å; K29-E33 IonicContact NZ-OE1 2.86Å; K29-E33 WeakPolarHBondContact O-CG 3.12Å; K29-E33 PolarHBondContact O-N 3.18Å; K29-F66 HydrophobicContact CB-CE1 4.5Å; K29-F66 HydrophobicContact CB-CZ 3.9Å; K29-F66 HydrophobicContact CG-CZ 4.24Å |
| 30 | K | 89 | Confident | 87.9 | Confident | 115 Ų | 115 | 69 Ų | 69 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.8 | -71.8 | 175.1 | -175.4 | 173.9 | 0 | 112.7 | D26 Q27 I28 I32 H34 | D26-K30 WeakPolarHBondContact O-CG 3.39Å; D26-K30 PolarHBondContact O-N 3.43Å; D26-K30 VanDerWaalsContact O-N 3.11Å; Q27-K30 PolarHBondContact O-N 3.02Å; I28-K30 PolarHBondContact O-N 3.26Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-H34 PolarHBondContact O-N 3.39Å |
| 31 | L | 88.7 | Confident | 87.8 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.1 | -34 | 177 | -72.8 | 170.4 | 0 | 0 | 0 | 112.2 | K15 L16 Q27 I28 K29 G35 | K15-L31 HydrophobicContact CG-CD1 4.16Å; L16-L31 HydrophobicContact CB-CD1 4.22Å; L16-L31 HydrophobicContact CD1-CB 4.35Å; L16-L31 HydrophobicContact CD1-CD1 4.03Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 2.87Å; I28-L31 PolarHBondContact O-N 3.41Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.07Å; L31-G35 WeakPolarHBondContact O-CA 3.48Å; L31-G35 PolarHBondContact O-N 2.82Å |
| 32 | I | 86.5 | Confident | 87.9 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72 | -42.1 | 177.1 | -65 | 166.9 | 0 | 0 | 0 | 111 | I28 K29 K30 I40 F66 N70 | I28-I32 HydrophobicContact CG2-CD1 3.71Å; I28-I32 HydrophobicContact CG2-CG1 4.4Å; I28-I32 VanDerWaalsContact O-CG1 3.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.46Å; I28-I32 PolarHBondContact O-N 3Å; K29-I32 PolarHBondContact O-N 3.43Å; K29-I32 VanDerWaalsContact O-N 3.17Å; K30-I32 VanDerWaalsContact C-N 3.33Å; I32-I40 HydrophobicContact CB-CD1 4.48Å; I32-I40 HydrophobicContact CD1-CD1 3.43Å; I32-I40 VanDerWaalsContact CD1-CD1 3.43Å; I32-I40 HydrophobicContact CD1-CG1 3.94Å; I32-I40 HydrophobicContact CG1-CD1 3.59Å; I32-I40 HydrophobicContact CG1-CG1 3.72Å; I32-I40 HydrophobicContact CG2-CD1 4.05Å; I32-F66 HydrophobicContact CD1-CE1 4.14Å; I32-N70 HydrophobicContact CD1-CB 4.16Å |
| 33 | E | 86.9 | Confident | 87.7 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.9 | -37.2 | -176.8 | -71.9 | 175.3 | 176.1 | 0 | 0 | 113.5 | K29 | K29-E33 WeakPolarHBondContact CE-OE1 3.38Å; K29-E33 IonicContact NZ-OE1 2.86Å; K29-E33 WeakPolarHBondContact O-CG 3.12Å; K29-E33 PolarHBondContact O-N 3.18Å |
| 34 | H | 87.2 | Confident | 87.6 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 73% | 0.731 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -117.1 | -5.4 | -172.9 | -61.2 | -59.5 | 0 | 0 | 0 | 114.6 | K30 | K30-H34 PolarHBondContact O-N 3.39Å |
| 35 | G | 84.6 | Confident | 87.1 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -87.5 | -164.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L31 | L31-G35 WeakPolarHBondContact O-CA 3.48Å; L31-G35 PolarHBondContact O-N 2.82Å |
| 36 | V | 84.2 | Confident | 86.7 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -59.5 | 133.5 | 173.9 | 166.7 | 0 | 0 | 0 | 0 | 109.6 | L8 E9 N38 L39 | L8-V36 HydrophobicContact CD2-CG2 4.28Å; L8-V36 HydrophobicContact CG-CG2 4.32Å; E9-V36 HydrophobicContact CG-CG1 3.96Å; E9-V36 HydrophobicContact CG-CG2 4.13Å; V36-N38 PolarHBondContact O-N 3.01Å; V36-L39 HydrophobicContact CB-CB 4.35Å; V36-L39 HydrophobicContact CB-CD1 4.36Å; V36-L39 VanDerWaalsContact O-CB 3.3Å; V36-L39 WeakPolarHBondContact O-CB 3.48Å; V36-L39 PolarHBondContact O-N 2.8Å |
| 37 | P | 82.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 71% | 0.708 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 138.3 | 178.3 | 24.9 | -34.7 | 0 | 0 | 0 | 111 | L39 | P37-L39 PolarHBondContact O-N 3.23Š|
| 38 | N | 84.4 | Confident | 86 | Confident | 102 Ų | 102 | 53 Ų | 53 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 18.4 | 178.7 | -160.1 | 30.6 | 0 | 0 | 0 | 115.2 | V36 I40 N41 Y42 | V36-N38 PolarHBondContact O-N 3.01Å; N38-I40 PolarHBondContact O-N 3.44Å; N38-I40 VanDerWaalsContact O-N 3.08Å; N38-N41 PolarHBondContact O-N 3.19Å; N38-N41 VanDerWaalsContact O-N 3.13Å; N38-N41 PolarHBondContact OD1-ND2 3.28Å; N38-Y42 WeakPolarHBondContact O-CD2 3.39Å |
| 39 | L | 86.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -53.2 | -31.3 | -179.2 | -177 | 68.4 | 0 | 0 | 0 | 113.9 | Q12 I13 L16 V36 P37 N41 Y42 | Q12-L39 HydrophobicContact CB-CD1 4.21Å; Q12-L39 HydrophobicContact CB-CD2 3.68Å; I13-L39 HydrophobicContact CB-CD1 4.09Å; I13-L39 HydrophobicContact CD1-CD1 4.29Å; I13-L39 HydrophobicContact CD1-CG 4.42Å; L16-L39 HydrophobicContact CD2-CD2 4.45Å; L16-L39 HydrophobicContact CD2-CG 4.31Å; V36-L39 HydrophobicContact CB-CB 4.35Å; V36-L39 HydrophobicContact CB-CD1 4.36Å; V36-L39 VanDerWaalsContact O-CB 3.3Å; V36-L39 WeakPolarHBondContact O-CB 3.48Å; V36-L39 PolarHBondContact O-N 2.8Å; P37-L39 PolarHBondContact O-N 3.23Å; L39-N41 PolarHBondContact O-N 2.82Å; L39-N41 VanDerWaalsContact O-N 3.1Å; L39-Y42 WeakPolarHBondContact O-CB 3.4Å; L39-Y42 PolarHBondContact O-N 2.76Å |
| 40 | I | 87.5 | Confident | 85.9 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -57.8 | -28.5 | -178.1 | -50.3 | 170.7 | 0 | 0 | 0 | 112.4 | I32 N38 A51 L67 N70 A72 | I32-I40 HydrophobicContact CB-CD1 4.48Å; I32-I40 HydrophobicContact CD1-CD1 3.43Å; I32-I40 VanDerWaalsContact CD1-CD1 3.43Å; I32-I40 HydrophobicContact CD1-CG1 3.94Å; I32-I40 HydrophobicContact CG1-CD1 3.59Å; I32-I40 HydrophobicContact CG1-CG1 3.72Å; I32-I40 HydrophobicContact CG2-CD1 4.05Å; N38-I40 PolarHBondContact O-N 3.44Å; N38-I40 VanDerWaalsContact O-N 3.08Å; I40-A51 HydrophobicContact CG2-CB 4.4Å; I40-L67 HydrophobicContact CG2-CD2 3.95Å; I40-N70 HydrophobicContact CD1-CB 4.04Å; I40-N70 WeakPolarHBondContact CD1-O 3.47Å; I40-A72 HydrophobicContact CG2-CB 3.48Å; I40-A72 VanDerWaalsContact CG2-CB 3.48Å |
| 41 | N | 89.6 | Confident | 86 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -95.8 | 3.2 | -176.7 | -71.3 | -41.6 | 0 | 0 | 0 | 113.8 | P2 N38 L39 G71 A72 C73 I76 | P2-N41 WeakPolarHBondContact CG-O 3.29Å; N38-N41 PolarHBondContact O-N 3.19Å; N38-N41 VanDerWaalsContact O-N 3.13Å; N38-N41 PolarHBondContact OD1-ND2 3.28Å; L39-N41 PolarHBondContact O-N 2.82Å; L39-N41 VanDerWaalsContact O-N 3.1Å; N41-G71 PolarHBondContact ND2-O 3.2Å; N41-G71 VanDerWaalsContact ND2-O 3.1Å; N41-A72 WeakPolarHBondContact OD1-CA 3.43Å; N41-C73 PolarHBondContact OD1-N 3.29Å; N41-I76 HydrophobicContact CB-CD1 3.63Å; N41-I76 WeakPolarHBondContact O-CD1 3.44Å; N41-I76 VanDerWaalsContact OD1-CD1 3.29Å; N41-I76 WeakPolarHBondContact OD1-CD1 3.06Å |
| 42 | Y | 88.4 | Confident | 86.2 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 144.3 | 177.3 | -81.8 | -112.2 | 0 | 0 | 0 | 111.5 | P2 A4 E9 N38 L39 | P2-Y42 HydrophobicContact CB-CD1 4.22Å; P2-Y42 HydrophobicContact CB-CD2 4.29Å; P2-Y42 HydrophobicContact CB-CE1 4.14Å; P2-Y42 HydrophobicContact CB-CE2 4.2Å; P2-Y42 HydrophobicContact CB-CG 4.33Å; P2-Y42 HydrophobicContact CG-CD2 4.48Å; P2-Y42 WeakPolarHBondContact O-CA 3.4Å; A4-Y42 HydrophobicContact CB-CD1 3.94Å; E9-Y42 HydrophobicContact CG-CE1 4.14Å; E9-Y42 WeakPolarHBondContact OE1-CE1 3.1Å; E9-Y42 PolarHBondContact OE1-OH 3.41Å; N38-Y42 WeakPolarHBondContact O-CD2 3.39Å; L39-Y42 WeakPolarHBondContact O-CB 3.4Å; L39-Y42 PolarHBondContact O-N 2.76Å |
| 43 | N | 86.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -85.8 | 139.5 | 171.9 | -75.4 | 6.5 | 0 | 0 | 0 | 110.3 | P2 G48 T50 I76 V77 | P2-N43 PolarHBondContact O-N 2.98Å; N43-G48 VanDerWaalsContact CG-O 3.25Å; N43-G48 PolarHBondContact ND2-O 3.34Å; N43-T50 WeakPolarHBondContact OD1-CG2 3.18Å; N43-I76 VanDerWaalsContact OD1-CG2 3.29Å; N43-I76 WeakPolarHBondContact OD1-CG2 3.32Å; N43-V77 PolarHBondContact ND2-O 2.71Å |
| 44 | D | 86.3 | Confident | 86.7 | Confident | 18 Ų | 18 | 35.3 Ų | 35.3 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 127.8 | 166.9 | -169.3 | 8.4 | 0 | 0 | 0 | 110.1 | L17 D46 G48 I49 | L17-D44 HydrophobicContact CD1-CB 3.78Å; D44-D46 PolarHBondContact O-N 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.29Å; D44-G48 PolarHBondContact O-N 3.26Å; D44-I49 WeakPolarHBondContact CB-O 3.46Å; D44-I49 PolarHBondContact N-O 3.01Å |
| 45 | P | 80.8 | Confident | 86.9 | Confident | 26 Ų | 26 | 27.8 Ų | 27.8 | 17% | 0.169 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.2 | 179.4 | 24 | -38.5 | 0 | 0 | 0 | 114.4 | R10 F79 | R10-P45 HydrophobicContact CG-CG 4.05Å; P45-F79 WeakPolarHBondContact O-CE2 3.47Å |
| 46 | D | 82 | Confident | 87.4 | Confident | 94 Ų | 94 | 26.7 Ų | 26.7 | 50% | 0.503 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -46.6 | -173.4 | -60.5 | -33.8 | 0 | 0 | 0 | 111.7 | R14 D44 F79 | R14-D46 IonicContact CZ-OD2 3.96Å; R14-D46 IonicContact NE-OD2 3.41Å; R14-D46 IonicContact NH2-OD1 2.76Å; R14-D46 PolarHBondContact NH2-OD1 3.13Å; R14-D46 IonicContact NH2-OD2 3.58Å; R14-D46 PolarHBondContact NH2-OD2 3.1Å; D44-D46 PolarHBondContact O-N 3.25Å; D46-F79 WeakPolarHBondContact O-CE2 3.49Å |
| 47 | N | 79.5 | Confident | 87.7 | Confident | 98 Ų | 98 | 31 Ų | 31 | 52% | 0.524 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -3.6 | -173.8 | -62.8 | -13.6 | 0 | 0 | 0 | 114.3 | I49 | N47-I49 HydrophobicContact CB-CD1 3.75Å; N47-I49 HydrophobicContact CB-CG1 3.9Å; N47-I49 PolarHBondContact O-N 3.04Å |
| 48 | G | 85.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 76.9 | 5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N43 D44 D78 F79 | N43-G48 VanDerWaalsContact CG-O 3.25Å; N43-G48 PolarHBondContact ND2-O 3.34Å; D44-G48 WeakPolarHBondContact O-CA 3.29Å; D44-G48 PolarHBondContact O-N 3.26Å; G48-D78 WeakPolarHBondContact O-CA 3.48Å; G48-F79 VanDerWaalsContact CA-CD1 3.5Å; G48-F79 VanDerWaalsContact CA-CE1 3.47Å; G48-F79 VanDerWaalsContact N-CD2 3.31Å | ||
| 49 | I | 88.6 | Confident | 88.3 | Confident | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | trans | -72.4 | 133.1 | -172.1 | -63.9 | 168.4 | 0 | 0 | 0 | 110.5 | L17 D44 N47 I53 | L17-I49 HydrophobicContact CD2-CG2 4.46Å; D44-I49 WeakPolarHBondContact CB-O 3.46Å; D44-I49 PolarHBondContact N-O 3.01Å; N47-I49 HydrophobicContact CB-CD1 3.75Å; N47-I49 HydrophobicContact CB-CG1 3.9Å; N47-I49 PolarHBondContact O-N 3.04Å; I49-I53 HydrophobicContact CG2-CB 4.11Å; I49-I53 HydrophobicContact CG2-CG2 3.99Å | ||
| 50 | T | 89.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | trans | -89 | 163.8 | 170.6 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | N43 V52 I53 S54 I76 | N43-T50 WeakPolarHBondContact OD1-CG2 3.18Å; T50-V52 PolarHBondContact O-N 2.98Å; T50-I53 PolarHBondContact O-N 3.49Å; T50-I53 WeakPolarHBondContact OG1-CG1 3.4Å; T50-I53 PolarHBondContact OG1-N 3.01Å; T50-S54 PolarHBondContact O-N 3.01Å; T50-I76 HydrophobicContact CG2-CB 3.91Å; T50-I76 HydrophobicContact CG2-CG2 3.42Å; T50-I76 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 51 | A | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.4 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L16 V20 I40 S54 A55 L67 | L16-A51 HydrophobicContact CD2-CB 3.89Å; L16-A51 HydrophobicContact CG-CB 4.42Å; V20-A51 HydrophobicContact CG2-CB 4.29Å; I40-A51 HydrophobicContact CG2-CB 4.4Å; A51-S54 PolarHBondContact O-N 3.36Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.33Å; A51-L67 HydrophobicContact CB-CD1 3.97Å; A51-L67 HydrophobicContact CB-CD2 4.29Å |
| 52 | V | 92.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | 178 | -178 | 0 | 0 | 0 | 0 | 111.1 | T50 S54 A55 V56 L67 L68 A72 A84 | T50-V52 PolarHBondContact O-N 2.98Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 3Å; V52-A55 PolarHBondContact O-N 3.41Å; V52-A55 VanDerWaalsContact O-N 3.15Å; V52-V56 WeakPolarHBondContact O-CG2 3.36Å; V52-V56 PolarHBondContact O-N 3.43Å; V52-L67 HydrophobicContact CG2-CB 4.35Å; V52-L67 HydrophobicContact CG2-CD1 4.45Å; V52-L68 HydrophobicContact CG2-CD2 4.33Å; V52-A72 HydrophobicContact CG2-CB 3.65Å; V52-A84 HydrophobicContact CG1-CB 3.75Å |
| 53 | I | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.6 | -67.7 | 168.8 | 0 | 0 | 0 | 110.8 | I49 T50 A55 V56 K57 D78 A84 T87 | I49-I53 HydrophobicContact CG2-CB 4.11Å; I49-I53 HydrophobicContact CG2-CG2 3.99Å; T50-I53 PolarHBondContact O-N 3.49Å; T50-I53 WeakPolarHBondContact OG1-CG1 3.4Å; T50-I53 PolarHBondContact OG1-N 3.01Å; I53-A55 VanDerWaalsContact C-N 3.35Å; I53-V56 PolarHBondContact O-N 3.26Å; I53-K57 HydrophobicContact CG2-CD 4.39Å; I53-K57 WeakPolarHBondContact O-CG 3.44Å; I53-K57 PolarHBondContact O-N 3Å; I53-D78 HydrophobicContact CD1-CB 4.08Å; I53-A84 HydrophobicContact CG1-CB 4.16Å; I53-T87 HydrophobicContact CG2-CG2 4.06Å |
| 54 | S | 91.1 | Very high | 89.1 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.2 | -158 | 0 | 0 | 0 | 0 | 112 | N21 T50 A51 V52 V56 K57 S58 | N21-S54 PolarHBondContact OD1-OG 3.23Å; T50-S54 PolarHBondContact O-N 3.01Å; A51-S54 PolarHBondContact O-N 3.36Å; V52-S54 VanDerWaalsContact C-N 3.28Å; V52-S54 PolarHBondContact O-N 3Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-K57 PolarHBondContact O-N 3.31Å; S54-S58 PolarHBondContact O-N 3.46Å; S54-S58 PolarHBondContact O-OG 2.86Å |
| 55 | A | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V20 A51 V52 I53 S58 D59 D60 I64 L67 | V20-A55 HydrophobicContact CG1-CB 3.71Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.33Å; V52-A55 PolarHBondContact O-N 3.41Å; V52-A55 VanDerWaalsContact O-N 3.15Å; I53-A55 VanDerWaalsContact C-N 3.35Å; A55-S58 WeakPolarHBondContact CA-OG 3.48Å; A55-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-OG 3.39Å; A55-S58 VanDerWaalsContact O-OG 3.08Å; A55-D59 PolarHBondContact O-N 3.29Å; A55-D60 PolarHBondContact O-N 3.42Å; A55-D60 VanDerWaalsContact O-N 3.14Å; A55-I64 HydrophobicContact CB-CD1 4.41Å; A55-I64 HydrophobicContact CB-CG1 3.57Å; A55-L67 HydrophobicContact CB-CD1 4.19Å |
| 56 | V | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | 171.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V52 I53 S54 S58 D59 I64 A84 A88 L91 I96 L100 | V52-V56 WeakPolarHBondContact O-CG2 3.36Å; V52-V56 PolarHBondContact O-N 3.43Å; I53-V56 PolarHBondContact O-N 3.26Å; S54-V56 VanDerWaalsContact C-N 3.34Å; V56-S58 VanDerWaalsContact C-N 3.28Å; V56-S58 PolarHBondContact O-N 3.27Å; V56-D59 PolarHBondContact O-N 3.23Å; V56-I64 HydrophobicContact CG2-CD1 3.78Å; V56-I64 HydrophobicContact CG2-CG1 4.46Å; V56-A84 HydrophobicContact CG2-CB 4.26Å; V56-A88 HydrophobicContact CG1-CB 3.81Å; V56-L91 HydrophobicContact CG1-CD1 4.4Å; V56-I96 HydrophobicContact CG1-CG2 4.21Å; V56-I96 HydrophobicContact CG2-CG2 3.92Å; V56-L100 HydrophobicContact CG2-CD1 4.21Å |
| 57 | K | 91.2 | Very high | 90.3 | Very high | 108 Ų | 108 | 29 Ų | 29 | 47% | 0.47 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65 | -29 | 177.5 | -72.3 | 178.5 | -179.3 | 180 | 0 | 113 | I53 S54 D59 L91 | I53-K57 HydrophobicContact CG2-CD 4.39Å; I53-K57 WeakPolarHBondContact O-CG 3.44Å; I53-K57 PolarHBondContact O-N 3Å; S54-K57 PolarHBondContact O-N 3.31Å; K57-D59 VanDerWaalsContact C-N 3.31Å; K57-L91 HydrophobicContact CG-CD1 4.45Å |
| 58 | S | 89.9 | Confident | 90.8 | Very high | 29 Ų | 29 | 25.5 Ų | 25.5 | 20% | 0.203 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.1 | 176.5 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | K23 S54 A55 V56 D60 | K23-S58 PolarHBondContact NZ-O 2.99Å; S54-S58 PolarHBondContact O-N 3.46Å; S54-S58 PolarHBondContact O-OG 2.86Å; A55-S58 WeakPolarHBondContact CA-OG 3.48Å; A55-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-OG 3.39Å; A55-S58 VanDerWaalsContact O-OG 3.08Å; V56-S58 VanDerWaalsContact C-N 3.28Å; V56-S58 PolarHBondContact O-N 3.27Å; S58-D60 VanDerWaalsContact C-N 3.34Å; S58-D60 PolarHBondContact O-N 3.2Å |
| 59 | D | 89.5 | Confident | 91 | Very high | 91 Ų | 91 | 31.8 Ų | 31.8 | 49% | 0.487 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 50.3 | -178.1 | -167.1 | 37.8 | 0 | 0 | 0 | 112.5 | A55 V56 K57 N93 I96 | A55-D59 PolarHBondContact O-N 3.29Å; V56-D59 PolarHBondContact O-N 3.23Å; K57-D59 VanDerWaalsContact C-N 3.31Å; D59-N93 PolarHBondContact OD1-ND2 3.08Å; D59-I96 HydrophobicContact CB-CD1 4.47Å; D59-I96 WeakPolarHBondContact OD1-CD1 3.26Å |
| 60 | D | 89.8 | Confident | 91.1 | Very high | 16 Ų | 16 | 34 Ų | 34 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | trans | -118.7 | 94.7 | -175.5 | -173.2 | 7.5 | 0 | 0 | 0 | 113 | K23 A55 S58 C62 T63 I64 | K23-D60 HydrophobicContact CD-CB 4.24Å; K23-D60 WeakPolarHBondContact CG-OD2 3.16Å; A55-D60 PolarHBondContact O-N 3.42Å; A55-D60 VanDerWaalsContact O-N 3.14Å; S58-D60 VanDerWaalsContact C-N 3.34Å; S58-D60 PolarHBondContact O-N 3.2Å; D60-C62 VanDerWaalsContact C-N 3.32Å; D60-C62 PolarHBondContact O-N 3.15Å; D60-C62 PolarHBondContact OD1-N 3.37Å; D60-T63 VanDerWaalsContact CB-OG1 3.27Å; D60-T63 WeakPolarHBondContact CB-OG1 3.41Å; D60-T63 PolarHBondContact O-OG1 3.24Å; D60-T63 PolarHBondContact OD1-N 3.27Å; D60-T63 WeakPolarHBondContact OD2-CB 3.21Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.48Å; D60-T63 PolarHBondContact OD2-OG1 2.98Å; D60-I64 WeakPolarHBondContact O-CD1 3.23Å; D60-I64 VanDerWaalsContact O-CG1 3.23Å; D60-I64 WeakPolarHBondContact O-CG1 3.39Å; D60-I64 PolarHBondContact O-N 3.41Å | ||
| 61 | V | 91.7 | Very high | 91 | Very high | 43 Ų | 43 | 36.2 Ų | 36.2 | 26% | 0.261 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -38.8 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | I64 E65 I96 K99 | V61-I64 PolarHBondContact O-N 2.94Å; V61-E65 WeakPolarHBondContact O-CG 3.18Å; V61-E65 PolarHBondContact O-N 3.4Å; V61-I96 HydrophobicContact CG2-CD1 4.49Å; V61-I96 HydrophobicContact CG2-CG1 3.75Å; V61-K99 HydrophobicContact CG1-CG 4.36Å |
| 62 | C | 90.6 | Very high | 90.9 | Very high | 80 Ų | 80 | 36.6 Ų | 36.6 | 54% | 0.541 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.5 | -44.3 | -174.6 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | D60 E65 F66 | D60-C62 VanDerWaalsContact C-N 3.32Å; D60-C62 PolarHBondContact O-N 3.15Å; D60-C62 PolarHBondContact OD1-N 3.37Å; C62-E65 PolarHBondContact O-N 2.87Å; C62-F66 WeakPolarHBondContact O-CB 2.92Å; C62-F66 PolarHBondContact O-N 3.1Å |
| 63 | T | 90.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -35.3 | 176.4 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | I25 I28 D60 F66 L67 | I25-T63 HydrophobicContact CD1-CG2 4.42Å; I25-T63 HydrophobicContact CG1-CG2 3.83Å; I28-T63 HydrophobicContact CD1-CG2 4.34Å; D60-T63 VanDerWaalsContact CB-OG1 3.27Å; D60-T63 WeakPolarHBondContact CB-OG1 3.41Å; D60-T63 PolarHBondContact O-OG1 3.24Å; D60-T63 PolarHBondContact OD1-N 3.27Å; D60-T63 WeakPolarHBondContact OD2-CB 3.21Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.48Å; D60-T63 PolarHBondContact OD2-OG1 2.98Å; T63-F66 PolarHBondContact O-N 3.39Å; T63-L67 WeakPolarHBondContact O-CB 3.33Å; T63-L67 WeakPolarHBondContact O-CG 3.5Å; T63-L67 PolarHBondContact O-N 3.27Å |
| 64 | I | 92 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -50.9 | 173 | -66.4 | 165.7 | 0 | 0 | 0 | 110.3 | A55 V56 D60 V61 F66 L67 L68 I96 L100 | A55-I64 HydrophobicContact CB-CD1 4.41Å; A55-I64 HydrophobicContact CB-CG1 3.57Å; V56-I64 HydrophobicContact CG2-CD1 3.78Å; V56-I64 HydrophobicContact CG2-CG1 4.46Å; D60-I64 WeakPolarHBondContact O-CD1 3.23Å; D60-I64 VanDerWaalsContact O-CG1 3.23Å; D60-I64 WeakPolarHBondContact O-CG1 3.39Å; D60-I64 PolarHBondContact O-N 3.41Å; V61-I64 PolarHBondContact O-N 2.94Å; I64-F66 VanDerWaalsContact C-N 3.29Å; I64-F66 PolarHBondContact O-N 3.26Å; I64-L67 PolarHBondContact O-N 2.94Å; I64-L68 HydrophobicContact CG2-CD1 3.82Å; I64-L68 HydrophobicContact CG2-CG 4.27Å; I64-L68 WeakPolarHBondContact O-CB 3.26Å; I64-L68 VanDerWaalsContact O-CG 3.23Å; I64-L68 WeakPolarHBondContact O-CG 3Å; I64-L68 PolarHBondContact O-N 3.07Å; I64-I96 HydrophobicContact CD1-CB 4.41Å; I64-I96 HydrophobicContact CD1-CD1 3.84Å; I64-I96 HydrophobicContact CD1-CG1 3.94Å; I64-I96 HydrophobicContact CD1-CG2 3.65Å; I64-L100 HydrophobicContact CG2-CD2 4.14Å |
| 65 | E | 92.2 | Very high | 90.5 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 178.3 | -73.6 | -173.8 | 168.6 | 0 | 0 | 111.8 | V61 C62 L69 K99 | V61-E65 WeakPolarHBondContact O-CG 3.18Å; V61-E65 PolarHBondContact O-N 3.4Å; C62-E65 PolarHBondContact O-N 2.87Å; E65-L69 WeakPolarHBondContact O-CB 3.45Å; E65-L69 VanDerWaalsContact O-CG 3.22Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 3.39Å; E65-K99 WeakPolarHBondContact OE1-CE 3.23Å; E65-K99 IonicContact OE1-NZ 3.63Å; E65-K99 PolarHBondContact OE1-NZ 3.41Å |
| 66 | F | 90.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 176.9 | -177.6 | -98.5 | 0 | 0 | 0 | 112.6 | I25 I28 K29 I32 C62 T63 I64 L69 N70 | I25-F66 HydrophobicContact CG2-CD1 3.95Å; I25-F66 HydrophobicContact CG2-CD2 3.81Å; I25-F66 HydrophobicContact CG2-CE1 4.01Å; I25-F66 HydrophobicContact CG2-CE2 3.87Å; I25-F66 HydrophobicContact CG2-CG 3.85Å; I25-F66 HydrophobicContact CG2-CZ 3.97Å; I28-F66 HydrophobicContact CB-CE1 4.4Å; I28-F66 HydrophobicContact CG2-CD1 4.21Å; I28-F66 HydrophobicContact CG2-CE1 3.86Å; K29-F66 HydrophobicContact CB-CE1 4.5Å; K29-F66 HydrophobicContact CB-CZ 3.9Å; K29-F66 HydrophobicContact CG-CZ 4.24Å; I32-F66 HydrophobicContact CD1-CE1 4.14Å; C62-F66 WeakPolarHBondContact O-CB 2.92Å; C62-F66 PolarHBondContact O-N 3.1Å; T63-F66 PolarHBondContact O-N 3.39Å; I64-F66 VanDerWaalsContact C-N 3.29Å; I64-F66 PolarHBondContact O-N 3.26Å; F66-L69 PolarHBondContact O-N 3.3Å; F66-N70 WeakPolarHBondContact CE1-ND2 3.36Å; F66-N70 WeakPolarHBondContact CE2-ND2 3.47Å; F66-N70 WeakPolarHBondContact CZ-ND2 3.49Å; F66-N70 PolarHBondContact O-N 3.22Å; F66-N70 PolarHBondContact O-ND2 3.06Å |
| 67 | L | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 179 | -70.8 | 171.5 | 0 | 0 | 0 | 111 | V20 I28 I40 A51 V52 A55 T63 I64 L69 N70 A72 | V20-L67 HydrophobicContact CG2-CD1 4.35Å; I28-L67 HydrophobicContact CG2-CD2 3.91Å; I40-L67 HydrophobicContact CG2-CD2 3.95Å; A51-L67 HydrophobicContact CB-CD1 3.97Å; A51-L67 HydrophobicContact CB-CD2 4.29Å; V52-L67 HydrophobicContact CG2-CB 4.35Å; V52-L67 HydrophobicContact CG2-CD1 4.45Å; A55-L67 HydrophobicContact CB-CD1 4.19Å; T63-L67 WeakPolarHBondContact O-CB 3.33Å; T63-L67 WeakPolarHBondContact O-CG 3.5Å; T63-L67 PolarHBondContact O-N 3.27Å; I64-L67 PolarHBondContact O-N 2.94Å; L67-L69 PolarHBondContact O-N 2.98Å; L67-N70 PolarHBondContact O-N 2.93Å; L67-A72 HydrophobicContact CB-CB 4.07Å; L67-A72 WeakPolarHBondContact O-CB 3.33Å; L67-A72 PolarHBondContact O-N 2.98Å; L67-A72 VanDerWaalsContact O-N 3.09Å |
| 68 | L | 90.3 | Very high | 90.1 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | 178.9 | -65.7 | -179.2 | 0 | 0 | 0 | 112.5 | V52 I64 N70 G71 A72 I74 L100 K103 | V52-L68 HydrophobicContact CG2-CD2 4.33Å; I64-L68 HydrophobicContact CG2-CD1 3.82Å; I64-L68 HydrophobicContact CG2-CG 4.27Å; I64-L68 WeakPolarHBondContact O-CB 3.26Å; I64-L68 VanDerWaalsContact O-CG 3.23Å; I64-L68 WeakPolarHBondContact O-CG 3Å; I64-L68 PolarHBondContact O-N 3.07Å; L68-N70 VanDerWaalsContact C-N 3.27Å; L68-N70 PolarHBondContact O-N 2.81Å; L68-G71 PolarHBondContact O-N 3.01Å; L68-A72 HydrophobicContact CD2-CB 4.22Å; L68-A72 WeakPolarHBondContact CD2-O 3.21Å; L68-I74 HydrophobicContact CD1-CG1 4.3Å; L68-I74 HydrophobicContact CD2-CB 4.48Å; L68-I74 HydrophobicContact CD2-CD1 4.23Å; L68-I74 HydrophobicContact CD2-CG1 3.35Å; L68-I74 HydrophobicContact CG-CG1 4.45Å; L68-L100 HydrophobicContact CD1-CD2 4.35Å; L68-K103 HydrophobicContact CD1-CB 4.06Å; L68-K103 HydrophobicContact CD1-CD 4.46Å; L68-K103 HydrophobicContact CD1-CG 3.82Å |
| 69 | L | 90.3 | Very high | 90.1 | Very high | 132 Ų | 132 | 44.8 Ų | 44.8 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.6 | -29.5 | 174.9 | -75.6 | 169.2 | 0 | 0 | 0 | 112.8 | E65 F66 L67 G71 | E65-L69 WeakPolarHBondContact O-CB 3.45Å; E65-L69 VanDerWaalsContact O-CG 3.22Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 3.39Å; F66-L69 PolarHBondContact O-N 3.3Å; L67-L69 PolarHBondContact O-N 2.98Å; L69-G71 VanDerWaalsContact C-N 3.31Å; L69-G71 PolarHBondContact O-N 3.09Å |
| 70 | N | 89.5 | Confident | 90 | Very high | 71 Ų | 71 | 45 Ų | 45 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 18.3 | 178.9 | -71 | -69.7 | 0 | 0 | 0 | 113.7 | I32 I40 F66 L67 L68 | I32-N70 HydrophobicContact CD1-CB 4.16Å; I40-N70 HydrophobicContact CD1-CB 4.04Å; I40-N70 WeakPolarHBondContact CD1-O 3.47Å; F66-N70 WeakPolarHBondContact CE1-ND2 3.36Å; F66-N70 WeakPolarHBondContact CE2-ND2 3.47Å; F66-N70 WeakPolarHBondContact CZ-ND2 3.49Å; F66-N70 PolarHBondContact O-N 3.22Å; F66-N70 PolarHBondContact O-ND2 3.06Å; L67-N70 PolarHBondContact O-N 2.93Å; L68-N70 VanDerWaalsContact C-N 3.27Å; L68-N70 PolarHBondContact O-N 2.81Å |
| 71 | G | 86.9 | Confident | 90 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 19 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N41 L68 L69 C73 | N41-G71 PolarHBondContact ND2-O 3.2Å; N41-G71 VanDerWaalsContact ND2-O 3.1Å; L68-G71 PolarHBondContact O-N 3.01Å; L69-G71 VanDerWaalsContact C-N 3.31Å; L69-G71 PolarHBondContact O-N 3.09Å; G71-C73 PolarHBondContact O-N 2.97Å |
| 72 | A | 89.2 | Confident | 90 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | trans | -66.4 | 126.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | I40 N41 V52 L67 L68 | I40-A72 HydrophobicContact CG2-CB 3.48Å; I40-A72 VanDerWaalsContact CG2-CB 3.48Å; N41-A72 WeakPolarHBondContact OD1-CA 3.43Å; V52-A72 HydrophobicContact CG2-CB 3.65Å; L67-A72 HydrophobicContact CB-CB 4.07Å; L67-A72 WeakPolarHBondContact O-CB 3.33Å; L67-A72 PolarHBondContact O-N 2.98Å; L67-A72 VanDerWaalsContact O-N 3.09Å; L68-A72 HydrophobicContact CD2-CB 4.22Å; L68-A72 WeakPolarHBondContact CD2-O 3.21Å | ||
| 73 | C | 89.3 | Confident | 90.2 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 47% | 0.473 | 22% | 0.22 | S | C | . | . | trans | -76.9 | 130.7 | 174.5 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | N41 G71 I76 | N41-C73 PolarHBondContact OD1-N 3.29Å; G71-C73 PolarHBondContact O-N 2.97Å; C73-I76 HydrophobicContact CB-CD1 3.65Å; C73-I76 HydrophobicContact CB-CG1 3.74Å | ||
| 74 | I | 89.2 | Confident | 90.3 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -35 | -173.6 | -58.6 | 160.2 | 0 | 0 | 0 | 112.5 | L68 I76 L100 K103 A105 | L68-I74 HydrophobicContact CD1-CG1 4.3Å; L68-I74 HydrophobicContact CD2-CB 4.48Å; L68-I74 HydrophobicContact CD2-CD1 4.23Å; L68-I74 HydrophobicContact CD2-CG1 3.35Å; L68-I74 HydrophobicContact CG-CG1 4.45Å; I74-I76 VanDerWaalsContact C-N 3.32Å; I74-I76 PolarHBondContact O-N 3.34Å; I74-L100 HydrophobicContact CG2-CD2 4.23Å; I74-K103 HydrophobicContact CD1-CB 3.73Å; I74-K103 WeakPolarHBondContact CD1-O 3.42Å; I74-A105 HydrophobicContact CG2-CB 3.54Å |
| 75 | D | 90.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 39.5 Ų | 39.5 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 14 | -170 | -62.9 | -34 | 0 | 0 | 0 | 113.5 | N106 | D75-N106 WeakPolarHBondContact OD1-CB 3.47Å; D75-N106 PolarHBondContact OD1-N 2.92Å; D75-N106 WeakPolarHBondContact OD2-CB 3.25Å |
| 76 | I | 89.6 | Confident | 90.6 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | trans | -69.8 | 137.2 | 171.1 | -57.2 | 171.2 | 0 | 0 | 0 | 108.4 | N41 N43 T50 C73 I74 | N41-I76 HydrophobicContact CB-CD1 3.63Å; N41-I76 WeakPolarHBondContact O-CD1 3.44Å; N41-I76 VanDerWaalsContact OD1-CD1 3.29Å; N41-I76 WeakPolarHBondContact OD1-CD1 3.06Å; N43-I76 VanDerWaalsContact OD1-CG2 3.29Å; N43-I76 WeakPolarHBondContact OD1-CG2 3.32Å; T50-I76 HydrophobicContact CG2-CB 3.91Å; T50-I76 HydrophobicContact CG2-CG2 3.42Å; T50-I76 VanDerWaalsContact CG2-CG2 3.42Å; C73-I76 HydrophobicContact CB-CD1 3.65Å; C73-I76 HydrophobicContact CB-CG1 3.74Å; I74-I76 VanDerWaalsContact C-N 3.32Å; I74-I76 PolarHBondContact O-N 3.34Å | ||
| 77 | V | 90.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -107.3 | 153.7 | -177.1 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | M1 N43 G81 K82 T83 | M1-V77 HydrophobicContact CE-CG2 3.14Å; M1-V77 HydrophobicContact SD-CG2 3.98Å; N43-V77 PolarHBondContact ND2-O 2.71Å; V77-G81 WeakPolarHBondContact CG1-O 3.04Å; V77-K82 VanDerWaalsContact CA-O 3.25Å; V77-K82 WeakPolarHBondContact CA-O 3.37Å; V77-T83 HydrophobicContact CG1-CG2 3.56Å |
| 78 | D | 89.9 | Confident | 90.9 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | trans | -80.5 | -172.7 | 169.2 | 65.8 | 14.4 | 0 | 0 | 0 | 112.9 | G48 I53 D80 G81 K82 | G48-D78 WeakPolarHBondContact O-CA 3.48Å; I53-D78 HydrophobicContact CD1-CB 4.08Å; D78-D80 PolarHBondContact O-N 2.88Å; D78-D80 WeakPolarHBondContact OD1-CA 3.44Å; D78-D80 WeakPolarHBondContact OD1-CB 3.44Å; D78-D80 PolarHBondContact OD1-N 3.06Å; D78-G81 PolarHBondContact O-N 3.29Å; D78-G81 PolarHBondContact OD1-N 3.14Å; D78-K82 PolarHBondContact N-O 3.48Å; D78-K82 VanDerWaalsContact N-O 3.07Å; D78-K82 WeakPolarHBondContact OD1-CB 3.49Å; D78-K82 PolarHBondContact OD1-N 2.81Å | ||
| 79 | F | 88.5 | Confident | 91.1 | Very high | 91 Ų | 91 | 33.8 Ų | 33.8 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -6.2 | 178.3 | -68.2 | -18.2 | 0 | 0 | 0 | 114.8 | P45 D46 G48 F112 | P45-F79 WeakPolarHBondContact O-CE2 3.47Å; D46-F79 WeakPolarHBondContact O-CE2 3.49Å; G48-F79 VanDerWaalsContact CA-CD1 3.5Å; G48-F79 VanDerWaalsContact CA-CE1 3.47Å; G48-F79 VanDerWaalsContact N-CD2 3.31Å; F79-F112 VanDerWaalsContact O-CD2 3.29Å; F79-F112 WeakPolarHBondContact O-CD2 3.43Å; F79-F112 WeakPolarHBondContact O-CE2 3.48Å |
| 80 | D | 87 | Confident | 91.3 | Very high | 94 Ų | 94 | 31.9 Ų | 31.9 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -5.6 | 167.5 | -68 | -31.4 | 0 | 0 | 0 | 111.3 | D78 K82 F112 | D78-D80 PolarHBondContact O-N 2.88Å; D78-D80 WeakPolarHBondContact OD1-CA 3.44Å; D78-D80 WeakPolarHBondContact OD1-CB 3.44Å; D78-D80 PolarHBondContact OD1-N 3.06Å; D80-K82 VanDerWaalsContact C-N 3.34Å; D80-K82 HydrophobicContact CB-CD 4.21Å; D80-K82 HydrophobicContact CB-CG 4.01Å; D80-F112 WeakPolarHBondContact O-CD2 3.46Å; D80-F112 WeakPolarHBondContact O-CG 3.41Å; D80-F112 PolarHBondContact O-N 3.23Å; D80-F112 VanDerWaalsContact O-N 3.09Å |
| 81 | G | 90.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | 81.5 | 12.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | V77 D78 D111 | V77-G81 WeakPolarHBondContact CG1-O 3.04Å; D78-G81 PolarHBondContact O-N 3.29Å; D78-G81 PolarHBondContact OD1-N 3.14Å; G81-D111 WeakPolarHBondContact O-CA 3.5Å | ||
| 82 | K | 93 | Very high | 91.7 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 10% | 0.1 | 16% | 0.164 | C | C | . | . | trans | -81.6 | 130.2 | -178.2 | -62.8 | 175.8 | 178 | -178.9 | 0 | 111.3 | V77 D78 D80 M86 T87 E90 D111 Y120 | V77-K82 VanDerWaalsContact CA-O 3.25Å; V77-K82 WeakPolarHBondContact CA-O 3.37Å; D78-K82 PolarHBondContact N-O 3.48Å; D78-K82 VanDerWaalsContact N-O 3.07Å; D78-K82 WeakPolarHBondContact OD1-CB 3.49Å; D78-K82 PolarHBondContact OD1-N 2.81Å; D80-K82 VanDerWaalsContact C-N 3.34Å; D80-K82 HydrophobicContact CB-CD 4.21Å; D80-K82 HydrophobicContact CB-CG 4.01Å; K82-M86 HydrophobicContact CB-CB 4.22Å; K82-M86 HydrophobicContact CB-SD 4.27Å; K82-M86 HydrophobicContact CG-SD 4.47Å; K82-T87 HydrophobicContact CB-CG2 4.11Å; K82-T87 HydrophobicContact CD-CG2 4.38Å; K82-E90 IonicContact NZ-OE1 3.51Å; K82-E90 PolarHBondContact NZ-OE1 3.07Å; K82-E90 IonicContact NZ-OE2 2.62Å; K82-E90 PolarHBondContact NZ-OE2 3.11Å; K82-D111 HydrophobicContact CG-CB 4.44Å; K82-Y120 VanDerWaalsContact CE-OH 3.27Å; K82-Y120 WeakPolarHBondContact CE-OH 3.18Å | ||
| 83 | T | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -79.3 | 166.9 | 169.7 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | V77 L85 M86 T87 A109 | V77-T83 HydrophobicContact CG1-CG2 3.56Å; T83-L85 PolarHBondContact O-N 3.14Å; T83-M86 PolarHBondContact O-N 2.89Å; T83-M86 VanDerWaalsContact O-N 3.08Å; T83-M86 PolarHBondContact OG1-N 3.37Å; T83-T87 PolarHBondContact O-N 3Å; T83-T87 VanDerWaalsContact O-N 3.11Å; T83-T87 PolarHBondContact O-OG1 2.9Å; T83-A109 HydrophobicContact CG2-CB 3.68Å |
| 84 | A | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.2 | -32.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V52 I53 V56 T87 A88 L100 | V52-A84 HydrophobicContact CG1-CB 3.75Å; I53-A84 HydrophobicContact CG1-CB 4.16Å; V56-A84 HydrophobicContact CG2-CB 4.26Å; A84-T87 WeakPolarHBondContact CA-OG1 3.29Å; A84-T87 PolarHBondContact O-OG1 3.4Å; A84-A88 WeakPolarHBondContact O-CB 3.46Å; A84-A88 PolarHBondContact O-N 3.19Å; A84-L100 HydrophobicContact CB-CD1 4.2Å; A84-L100 HydrophobicContact CB-CD2 4.46Å; A84-L100 WeakPolarHBondContact O-CD1 3.35Å |
| 85 | L | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -40 | 176.8 | -175 | 68.4 | 0 | 0 | 0 | 112 | T83 A88 A89 F97 L100 L101 A105 R107 A117 | T83-L85 PolarHBondContact O-N 3.14Å; L85-A88 PolarHBondContact O-N 3.41Å; L85-A89 PolarHBondContact O-N 3.41Å; L85-F97 HydrophobicContact CD1-CD2 3.66Å; L85-F97 HydrophobicContact CD1-CE2 3.51Å; L85-F97 HydrophobicContact CD1-CG 4.26Å; L85-F97 HydrophobicContact CD1-CZ 4.03Å; L85-F97 HydrophobicContact CG-CD2 4.43Å; L85-F97 HydrophobicContact CG-CE2 3.94Å; L85-L100 HydrophobicContact CD1-CB 4.08Å; L85-L101 HydrophobicContact CD1-CD2 3.9Å; L85-L101 HydrophobicContact CD1-CG 3.96Å; L85-L101 HydrophobicContact CD2-CD2 3.9Å; L85-A105 HydrophobicContact CB-CB 4.22Å; L85-A105 HydrophobicContact CD1-CB 4.38Å; L85-A105 HydrophobicContact CD2-CB 4.16Å; L85-A105 HydrophobicContact CG-CB 4.49Å; L85-R107 HydrophobicContact CD2-CB 4.48Å; L85-A117 HydrophobicContact CD2-CB 4.15Å; L85-A117 HydrophobicContact CG-CB 4.2Å |
| 86 | M | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 177.3 | -67 | 174.4 | -176.3 | 0 | 0 | 111.7 | K82 T83 A88 A89 E90 A109 D111 R115 A117 Y120 | K82-M86 HydrophobicContact CB-CB 4.22Å; K82-M86 HydrophobicContact CB-SD 4.27Å; K82-M86 HydrophobicContact CG-SD 4.47Å; T83-M86 PolarHBondContact O-N 2.89Å; T83-M86 VanDerWaalsContact O-N 3.08Å; T83-M86 PolarHBondContact OG1-N 3.37Å; M86-A88 VanDerWaalsContact C-N 3.35Å; M86-A89 WeakPolarHBondContact O-CB 3.35Å; M86-A89 PolarHBondContact O-N 3.24Å; M86-E90 PolarHBondContact O-N 3.22Å; M86-A109 HydrophobicContact CE-CB 4.04Å; M86-A109 WeakPolarHBondContact CE-O 3.44Å; M86-D111 HydrophobicContact SD-CB 4.09Å; M86-R115 VanDerWaalsContact CE-O 3.32Å; M86-R115 WeakPolarHBondContact CE-O 3.45Å; M86-A117 HydrophobicContact CG-CB 4.09Å; M86-Y120 HydrophobicContact CB-CD2 4.1Å; M86-Y120 HydrophobicContact CB-CE2 4.31Å; M86-Y120 HydrophobicContact CG-CD2 4.24Å; M86-Y120 HydrophobicContact CG-CE2 4.39Å; M86-Y120 HydrophobicContact SD-CE2 4.26Å |
| 87 | T | 93.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | I53 K82 T83 A84 A89 E90 L91 | I53-T87 HydrophobicContact CG2-CG2 4.06Å; K82-T87 HydrophobicContact CB-CG2 4.11Å; K82-T87 HydrophobicContact CD-CG2 4.38Å; T83-T87 PolarHBondContact O-N 3Å; T83-T87 VanDerWaalsContact O-N 3.11Å; T83-T87 PolarHBondContact O-OG1 2.9Å; A84-T87 WeakPolarHBondContact CA-OG1 3.29Å; A84-T87 PolarHBondContact O-OG1 3.4Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 3.41Å; T87-E90 PolarHBondContact O-N 2.68Å; T87-L91 WeakPolarHBondContact O-CG 3.5Å; T87-L91 PolarHBondContact O-N 3.16Å; T87-L91 VanDerWaalsContact O-N 3.1Å |
| 88 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V56 A84 L85 M86 G92 N93 I96 F97 L100 | V56-A88 HydrophobicContact CG1-CB 3.81Å; A84-A88 WeakPolarHBondContact O-CB 3.46Å; A84-A88 PolarHBondContact O-N 3.19Å; L85-A88 PolarHBondContact O-N 3.41Å; M86-A88 VanDerWaalsContact C-N 3.35Å; A88-G92 PolarHBondContact O-N 3.44Å; A88-G92 VanDerWaalsContact O-N 3.13Å; A88-N93 PolarHBondContact O-N 3.11Å; A88-N93 VanDerWaalsContact O-N 3.13Å; A88-I96 HydrophobicContact CB-CG2 4.01Å; A88-F97 HydrophobicContact CB-CB 4.25Å; A88-F97 HydrophobicContact CB-CD2 4.13Å; A88-L100 HydrophobicContact CB-CD1 3.94Å |
| 89 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 M86 T87 L91 G92 F97 H128 | L85-A89 PolarHBondContact O-N 3.41Å; M86-A89 WeakPolarHBondContact O-CB 3.35Å; M86-A89 PolarHBondContact O-N 3.24Å; T87-A89 VanDerWaalsContact C-N 3.32Å; T87-A89 PolarHBondContact O-N 3.41Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 3.02Å; A89-G92 PolarHBondContact O-N 3.16Å; A89-F97 HydrophobicContact CB-CD2 4.17Å; A89-F97 HydrophobicContact CB-CE2 3.79Å; A89-H128 PolarHBondContact O-CD2 3.38Å; A89-H128 PolarHBondContact O-NE2 3.47Å; A89-H128 VanDerWaalsContact O-NE2 3.16Å |
| 90 | E | 94.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 32.9 Ų | 32.9 | 43% | 0.43 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 179.3 | -178.6 | 176.7 | -174.7 | 0 | 0 | 112.6 | K82 M86 T87 Y120 H128 | K82-E90 IonicContact NZ-OE1 3.51Å; K82-E90 PolarHBondContact NZ-OE1 3.07Å; K82-E90 IonicContact NZ-OE2 2.62Å; K82-E90 PolarHBondContact NZ-OE2 3.11Å; M86-E90 PolarHBondContact O-N 3.22Å; T87-E90 PolarHBondContact O-N 2.68Å; E90-Y120 HydrophobicContact CB-CD1 4.01Å; E90-Y120 HydrophobicContact CG-CD1 4.3Å; E90-H128 PolarHBondContact O-NE2 3.13Å |
| 91 | L | 93.6 | Very high | 93.3 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 44% | 0.44 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -81.1 | -17 | 176.8 | -63.9 | 175.3 | 0 | 0 | 0 | 112.9 | V56 K57 T87 A89 | V56-L91 HydrophobicContact CG1-CD1 4.4Å; K57-L91 HydrophobicContact CG-CD1 4.45Å; T87-L91 WeakPolarHBondContact O-CG 3.5Å; T87-L91 PolarHBondContact O-N 3.16Å; T87-L91 VanDerWaalsContact O-N 3.1Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 3.02Å |
| 92 | G | 91.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 23.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A88 A89 V94 A127 | A88-G92 PolarHBondContact O-N 3.44Å; A88-G92 VanDerWaalsContact O-N 3.13Å; A89-G92 PolarHBondContact O-N 3.16Å; G92-V94 PolarHBondContact O-N 3Å; G92-V94 VanDerWaalsContact O-N 3.09Å; G92-A127 WeakPolarHBondContact O-CB 3.49Å |
| 93 | N | 93.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | trans | -81.1 | 88.5 | -177.4 | -70.9 | -6.8 | 0 | 0 | 0 | 110.9 | D59 A88 D95 I96 F97 | D59-N93 PolarHBondContact OD1-ND2 3.08Å; A88-N93 PolarHBondContact O-N 3.11Å; A88-N93 VanDerWaalsContact O-N 3.13Å; N93-D95 PolarHBondContact O-N 3.19Å; N93-I96 HydrophobicContact CB-CB 4.16Å; N93-I96 HydrophobicContact CB-CD1 4.33Å; N93-I96 PolarHBondContact O-N 3.46Å; N93-F97 WeakPolarHBondContact O-CB 3.49Å; N93-F97 PolarHBondContact O-N 2.99Å | ||
| 94 | V | 94.3 | Very high | 93 | Very high | 35 Ų | 35 | 41 Ų | 41 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | -172.7 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | G92 F97 K98 A127 K130 L134 | G92-V94 PolarHBondContact O-N 3Å; G92-V94 VanDerWaalsContact O-N 3.09Å; V94-F97 PolarHBondContact O-N 3.48Å; V94-K98 WeakPolarHBondContact O-CB 3.43Å; V94-K98 PolarHBondContact O-N 3.06Å; V94-A127 HydrophobicContact CG2-CB 4.2Å; V94-A127 WeakPolarHBondContact CG2-O 3.5Å; V94-K130 HydrophobicContact CG1-CB 4.09Å; V94-K130 HydrophobicContact CG2-CB 4Å; V94-K130 HydrophobicContact CG2-CD 4.33Å; V94-L134 HydrophobicContact CG1-CD1 3.88Å |
| 95 | D | 93.1 | Very high | 93 | Very high | 120 Ų | 120 | 41.3 Ų | 41.3 | 64% | 0.642 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.2 | -46.2 | -175.2 | -65.2 | -36.2 | 0 | 0 | 0 | 111.8 | N93 F97 K98 K99 | N93-D95 PolarHBondContact O-N 3.19Å; D95-F97 VanDerWaalsContact C-N 3.34Å; D95-K98 PolarHBondContact O-N 3.25Å; D95-K99 WeakPolarHBondContact O-CB 3.33Å; D95-K99 VanDerWaalsContact O-CG 3.26Å; D95-K99 WeakPolarHBondContact O-CG 3.39Å; D95-K99 PolarHBondContact O-N 3.31Å |
| 96 | I | 93.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 173.4 | -69.6 | 176 | 0 | 0 | 0 | 110.2 | V56 D59 V61 I64 A88 N93 K98 K99 L100 | V56-I96 HydrophobicContact CG1-CG2 4.21Å; V56-I96 HydrophobicContact CG2-CG2 3.92Å; D59-I96 HydrophobicContact CB-CD1 4.47Å; D59-I96 WeakPolarHBondContact OD1-CD1 3.26Å; V61-I96 HydrophobicContact CG2-CD1 4.49Å; V61-I96 HydrophobicContact CG2-CG1 3.75Å; I64-I96 HydrophobicContact CD1-CB 4.41Å; I64-I96 HydrophobicContact CD1-CD1 3.84Å; I64-I96 HydrophobicContact CD1-CG1 3.94Å; I64-I96 HydrophobicContact CD1-CG2 3.65Å; A88-I96 HydrophobicContact CB-CG2 4.01Å; N93-I96 HydrophobicContact CB-CB 4.16Å; N93-I96 HydrophobicContact CB-CD1 4.33Å; N93-I96 PolarHBondContact O-N 3.46Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 2.99Å; I96-K99 PolarHBondContact O-N 3.31Å; I96-K99 VanDerWaalsContact O-N 3.16Å; I96-L100 HydrophobicContact CG2-CD1 3.88Å; I96-L100 HydrophobicContact CG2-CG 4.23Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.08Å |
| 97 | F | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 179.5 | -173.7 | -91.3 | 0 | 0 | 0 | 111.6 | L85 A88 A89 N93 V94 D95 L100 L101 C131 L134 L135 | L85-F97 HydrophobicContact CD1-CD2 3.66Å; L85-F97 HydrophobicContact CD1-CE2 3.51Å; L85-F97 HydrophobicContact CD1-CG 4.26Å; L85-F97 HydrophobicContact CD1-CZ 4.03Å; L85-F97 HydrophobicContact CG-CD2 4.43Å; L85-F97 HydrophobicContact CG-CE2 3.94Å; A88-F97 HydrophobicContact CB-CB 4.25Å; A88-F97 HydrophobicContact CB-CD2 4.13Å; A89-F97 HydrophobicContact CB-CD2 4.17Å; A89-F97 HydrophobicContact CB-CE2 3.79Å; N93-F97 WeakPolarHBondContact O-CB 3.49Å; N93-F97 PolarHBondContact O-N 2.99Å; V94-F97 PolarHBondContact O-N 3.48Å; D95-F97 VanDerWaalsContact C-N 3.34Å; F97-L100 PolarHBondContact O-N 3.03Å; F97-L101 HydrophobicContact CD1-CD1 3.93Å; F97-L101 HydrophobicContact CE1-CD1 3.53Å; F97-L101 HydrophobicContact CE1-CG 4.34Å; F97-L101 HydrophobicContact CZ-CD1 4.27Å; F97-L101 WeakPolarHBondContact O-CG 3.38Å; F97-L101 PolarHBondContact O-N 2.95Å; F97-L101 VanDerWaalsContact O-N 3.14Å; F97-C131 HydrophobicContact CD1-CB 4.09Å; F97-C131 HydrophobicContact CE1-CB 4.08Å; F97-C131 VanDerWaalsContact CE1-O 3.27Å; F97-C131 WeakPolarHBondContact CE1-O 3.42Å; F97-C131 HydrophobicContact CG-CB 4.28Å; F97-C131 HydrophobicContact CZ-CB 4.3Å; F97-L134 HydrophobicContact CD1-CB 4.25Å; F97-L134 HydrophobicContact CD1-CD1 4.16Å; F97-L134 HydrophobicContact CE1-CB 4.06Å; F97-L135 HydrophobicContact CE1-CB 4.26Å; F97-L135 HydrophobicContact CE2-CD1 4.43Å; F97-L135 HydrophobicContact CZ-CB 4.08Å; F97-L135 HydrophobicContact CZ-CD1 3.68Å; F97-L135 HydrophobicContact CZ-CG 4.24Å |
| 98 | K | 93.3 | Very high | 92.3 | Very high | 107 Ų | 107 | 49 Ų | 49 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 174.7 | -173.6 | 180 | 176.3 | -178.1 | 0 | 111.8 | V94 D95 I96 L100 L101 D102 L134 | V94-K98 WeakPolarHBondContact O-CB 3.43Å; V94-K98 PolarHBondContact O-N 3.06Å; D95-K98 PolarHBondContact O-N 3.25Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 2.99Å; K98-L100 VanDerWaalsContact C-N 3.33Å; K98-L100 PolarHBondContact O-N 3.39Å; K98-L101 WeakPolarHBondContact O-CB 3.47Å; K98-L101 PolarHBondContact O-N 3.37Å; K98-D102 VanDerWaalsContact O-CG 3.29Å; K98-D102 PolarHBondContact O-N 3.03Å; K98-L134 HydrophobicContact CB-CD1 3.94Å; K98-L134 HydrophobicContact CG-CD1 4.42Å |
| 99 | K | 91 | Very high | 92.1 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | -179.8 | -73.1 | -74.3 | -174.2 | 157.1 | 0 | 112.7 | V61 E65 D95 I96 D102 K103 | V61-K99 HydrophobicContact CG1-CG 4.36Å; E65-K99 WeakPolarHBondContact OE1-CE 3.23Å; E65-K99 IonicContact OE1-NZ 3.63Å; E65-K99 PolarHBondContact OE1-NZ 3.41Å; D95-K99 WeakPolarHBondContact O-CB 3.33Å; D95-K99 VanDerWaalsContact O-CG 3.26Å; D95-K99 WeakPolarHBondContact O-CG 3.39Å; D95-K99 PolarHBondContact O-N 3.31Å; I96-K99 PolarHBondContact O-N 3.31Å; I96-K99 VanDerWaalsContact O-N 3.16Å; K99-D102 PolarHBondContact O-N 3.34Å; K99-K103 WeakPolarHBondContact O-CB 3.23Å; K99-K103 WeakPolarHBondContact O-CG 2.89Å; K99-K103 PolarHBondContact O-N 3Å |
| 100 | L | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.4 | -69.9 | 173.7 | 0 | 0 | 0 | 111.3 | V56 I64 L68 I74 A84 L85 A88 I96 F97 K98 K103 G104 A105 | V56-L100 HydrophobicContact CG2-CD1 4.21Å; I64-L100 HydrophobicContact CG2-CD2 4.14Å; L68-L100 HydrophobicContact CD1-CD2 4.35Å; I74-L100 HydrophobicContact CG2-CD2 4.23Å; A84-L100 HydrophobicContact CB-CD1 4.2Å; A84-L100 HydrophobicContact CB-CD2 4.46Å; A84-L100 WeakPolarHBondContact O-CD1 3.35Å; L85-L100 HydrophobicContact CD1-CB 4.08Å; A88-L100 HydrophobicContact CB-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CD1 3.88Å; I96-L100 HydrophobicContact CG2-CG 4.23Å; I96-L100 WeakPolarHBondContact O-CG 3.37Å; I96-L100 PolarHBondContact O-N 3.08Å; F97-L100 PolarHBondContact O-N 3.03Å; K98-L100 VanDerWaalsContact C-N 3.33Å; K98-L100 PolarHBondContact O-N 3.39Å; L100-K103 PolarHBondContact O-N 3.46Å; L100-G104 PolarHBondContact O-N 2.77Å; L100-A105 HydrophobicContact CB-CB 4.14Å; L100-A105 WeakPolarHBondContact O-CB 3.27Å; L100-A105 PolarHBondContact O-N 2.92Å |
| 101 | L | 91.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174 | -69.8 | 176.2 | 0 | 0 | 0 | 112.1 | L85 F97 K98 K103 G104 R107 L134 | L85-L101 HydrophobicContact CD1-CD2 3.9Å; L85-L101 HydrophobicContact CD1-CG 3.96Å; L85-L101 HydrophobicContact CD2-CD2 3.9Å; F97-L101 HydrophobicContact CD1-CD1 3.93Å; F97-L101 HydrophobicContact CE1-CD1 3.53Å; F97-L101 HydrophobicContact CE1-CG 4.34Å; F97-L101 HydrophobicContact CZ-CD1 4.27Å; F97-L101 WeakPolarHBondContact O-CG 3.38Å; F97-L101 PolarHBondContact O-N 2.95Å; F97-L101 VanDerWaalsContact O-N 3.14Å; K98-L101 WeakPolarHBondContact O-CB 3.47Å; K98-L101 PolarHBondContact O-N 3.37Å; L101-K103 PolarHBondContact O-N 3.24Å; L101-G104 PolarHBondContact O-N 3.02Å; L101-R107 HydrophobicContact CD2-CB 4.45Å; L101-L134 HydrophobicContact CD1-CB 4.22Å |
| 102 | D | 90.7 | Very high | 91.8 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.3 | -30.8 | 176.8 | -68.5 | -21 | 0 | 0 | 0 | 111.9 | K98 K99 G104 | K98-D102 VanDerWaalsContact O-CG 3.29Å; K98-D102 PolarHBondContact O-N 3.03Å; K99-D102 PolarHBondContact O-N 3.34Å; D102-G104 VanDerWaalsContact C-N 3.29Å |
| 103 | K | 90.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 1.8 | 176.8 | -66.6 | -71.8 | -178.2 | 179.5 | 0 | 113.8 | L68 I74 K99 L100 L101 | L68-K103 HydrophobicContact CD1-CB 4.06Å; L68-K103 HydrophobicContact CD1-CD 4.46Å; L68-K103 HydrophobicContact CD1-CG 3.82Å; I74-K103 HydrophobicContact CD1-CB 3.73Å; I74-K103 WeakPolarHBondContact CD1-O 3.42Å; K99-K103 WeakPolarHBondContact O-CB 3.23Å; K99-K103 WeakPolarHBondContact O-CG 2.89Å; K99-K103 PolarHBondContact O-N 3Å; L100-K103 PolarHBondContact O-N 3.46Å; L101-K103 PolarHBondContact O-N 3.24Å |
| 104 | G | 89.2 | Confident | 91.7 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | 23.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L100 L101 D102 N106 | L100-G104 PolarHBondContact O-N 2.77Å; L101-G104 PolarHBondContact O-N 3.02Å; D102-G104 VanDerWaalsContact C-N 3.29Å; G104-N106 PolarHBondContact O-N 2.81Å |
| 105 | A | 91.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | trans | -52.8 | 136.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I74 L85 L100 R107 | I74-A105 HydrophobicContact CG2-CB 3.54Å; L85-A105 HydrophobicContact CB-CB 4.22Å; L85-A105 HydrophobicContact CD1-CB 4.38Å; L85-A105 HydrophobicContact CD2-CB 4.16Å; L85-A105 HydrophobicContact CG-CB 4.49Å; L100-A105 HydrophobicContact CB-CB 4.14Å; L100-A105 WeakPolarHBondContact O-CB 3.27Å; L100-A105 PolarHBondContact O-N 2.92Å; A105-R107 PolarHBondContact O-N 3.06Å | ||
| 106 | N | 90.4 | Very high | 91.7 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | trans | -71.7 | 103.5 | 179.2 | -175.3 | -0.4 | 0 | 0 | 0 | 111.3 | D75 G104 N108 A109 | D75-N106 WeakPolarHBondContact OD1-CB 3.47Å; D75-N106 PolarHBondContact OD1-N 2.92Å; D75-N106 WeakPolarHBondContact OD2-CB 3.25Å; G104-N106 PolarHBondContact O-N 2.81Å; N106-N108 PolarHBondContact O-N 2.55Å; N106-N108 PolarHBondContact OD1-N 2.86Å; N106-A109 HydrophobicContact CB-CB 4.36Å; N106-A109 PolarHBondContact O-N 3.03Å; N106-A109 PolarHBondContact OD1-N 3.16Å | ||
| 107 | R | 89.9 | Confident | 91.6 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.3 | 178 | 67.6 | -178 | 69.3 | -155.8 | 4.8 | 114.8 | L85 L101 A105 L135 D137 S139 | L85-R107 HydrophobicContact CD2-CB 4.48Å; L101-R107 HydrophobicContact CD2-CB 4.45Å; A105-R107 PolarHBondContact O-N 3.06Å; R107-L135 PolarHBondContact NH1-O 2.86Å; R107-D137 IonicContact CZ-OD2 3.65Å; R107-D137 VanDerWaalsContact NH1-CB 3.34Å; R107-D137 IonicContact NH1-OD2 3.06Å; R107-D137 PolarHBondContact NH1-OD2 3.22Å; R107-D137 IonicContact NH2-OD2 3.99Å; R107-D137 PolarHBondContact NH2-OD2 3.24Å; R107-D137 VanDerWaalsContact NH2-OD2 3.14Å; R107-S139 PolarHBondContact NH1-OG 2.99Å |
| 108 | N | 90.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 16.3 | -175.6 | -63.8 | -41.3 | 0 | 0 | 0 | 112.3 | N106 N110 S139 L141 | N106-N108 PolarHBondContact O-N 2.55Å; N106-N108 PolarHBondContact OD1-N 2.86Å; N108-N110 PolarHBondContact O-OD1 2.63Å; N108-S139 PolarHBondContact ND2-O 2.87Å; N108-L141 HydrophobicContact CB-CD1 4.14Å; N108-L141 PolarHBondContact OD1-N 3.48Å; N108-L141 VanDerWaalsContact OD1-N 3.16Å |
| 109 | A | 91 | Very high | 91.6 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | trans | -61.9 | 150 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T83 M86 N106 T116 | T83-A109 HydrophobicContact CG2-CB 3.68Å; M86-A109 HydrophobicContact CE-CB 4.04Å; M86-A109 WeakPolarHBondContact CE-O 3.44Å; N106-A109 HydrophobicContact CB-CB 4.36Å; N106-A109 PolarHBondContact O-N 3.03Å; N106-A109 PolarHBondContact OD1-N 3.16Å; A109-T116 WeakPolarHBondContact O-CA 3.42Å | ||
| 110 | N | 91.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | trans | -122.5 | 140.9 | -179.8 | -57.7 | -21.8 | 0 | 0 | 0 | 109.9 | N108 R115 T116 K144 | N108-N110 PolarHBondContact O-OD1 2.63Å; N110-R115 WeakPolarHBondContact CA-O 3.42Å; N110-T116 VanDerWaalsContact OD1-CG2 3.23Å; N110-T116 WeakPolarHBondContact OD1-CG2 3.09Å; N110-K144 WeakPolarHBondContact ND2-CE 3.34Å | ||
| 111 | D | 93.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | trans | -80.4 | -176.1 | 169.8 | 73.1 | 7.5 | 0 | 0 | 0 | 112.2 | G81 K82 M86 N113 E114 R115 Y120 | G81-D111 WeakPolarHBondContact O-CA 3.5Å; K82-D111 HydrophobicContact CG-CB 4.44Å; M86-D111 HydrophobicContact SD-CB 4.09Å; D111-N113 PolarHBondContact O-N 3.04Å; D111-N113 VanDerWaalsContact OD1-CA 3.27Å; D111-N113 WeakPolarHBondContact OD1-CA 3.3Å; D111-N113 WeakPolarHBondContact OD1-CB 3.42Å; D111-N113 PolarHBondContact OD1-N 3.32Å; D111-E114 WeakPolarHBondContact O-CA 3.32Å; D111-E114 PolarHBondContact O-N 3.04Å; D111-E114 PolarHBondContact OD1-N 2.91Å; D111-R115 PolarHBondContact N-O 3.46Å; D111-R115 WeakPolarHBondContact OD1-CB 3.07Å; D111-R115 PolarHBondContact OD1-N 3.39Å; D111-Y120 PolarHBondContact OD2-OH 2.97Å | ||
| 112 | F | 90.4 | Very high | 91.8 | Very high | 126 Ų | 126 | 46 Ų | 46 | 55% | 0.553 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.2 | 178.6 | -63.1 | -31.6 | 0 | 0 | 0 | 114.4 | F79 D80 E114 | F79-F112 VanDerWaalsContact O-CD2 3.29Å; F79-F112 WeakPolarHBondContact O-CD2 3.43Å; F79-F112 WeakPolarHBondContact O-CE2 3.48Å; D80-F112 WeakPolarHBondContact O-CD2 3.46Å; D80-F112 WeakPolarHBondContact O-CG 3.41Å; D80-F112 PolarHBondContact O-N 3.23Å; D80-F112 VanDerWaalsContact O-N 3.09Å; F112-E114 VanDerWaalsContact C-N 3.33Å |
| 113 | N | 91.2 | Very high | 91.8 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 12.2 | 169.7 | -63.5 | -45.3 | 0 | 0 | 0 | 112 | D111 R115 D146 R147 | D111-N113 PolarHBondContact O-N 3.04Å; D111-N113 VanDerWaalsContact OD1-CA 3.27Å; D111-N113 WeakPolarHBondContact OD1-CA 3.3Å; D111-N113 WeakPolarHBondContact OD1-CB 3.42Å; D111-N113 PolarHBondContact OD1-N 3.32Å; N113-R115 HydrophobicContact CB-CG 4.21Å; N113-R115 PolarHBondContact O-N 3.41Å; N113-D146 WeakPolarHBondContact O-CB 3.27Å; N113-R147 VanDerWaalsContact O-CB 3.3Å; N113-R147 WeakPolarHBondContact O-CB 3.4Å; N113-R147 PolarHBondContact O-N 2.95Å |
| 114 | E | 92.4 | Very high | 91.9 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | trans | 60.6 | 20.1 | -175.9 | -54.8 | -177.1 | -143.1 | 0 | 0 | 114.4 | D111 F112 | D111-E114 WeakPolarHBondContact O-CA 3.32Å; D111-E114 PolarHBondContact O-N 3.04Å; D111-E114 PolarHBondContact OD1-N 2.91Å; F112-E114 VanDerWaalsContact C-N 3.33Å | ||
| 115 | R | 93.8 | Very high | 92 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | trans | -86.1 | 133.3 | 178.5 | -64.1 | 179.4 | 172.4 | 170.3 | 3.1 | 110.8 | M86 N110 D111 N113 F119 Y120 D146 | M86-R115 VanDerWaalsContact CE-O 3.32Å; M86-R115 WeakPolarHBondContact CE-O 3.45Å; N110-R115 WeakPolarHBondContact CA-O 3.42Å; D111-R115 PolarHBondContact N-O 3.46Å; D111-R115 WeakPolarHBondContact OD1-CB 3.07Å; D111-R115 PolarHBondContact OD1-N 3.39Å; N113-R115 HydrophobicContact CB-CG 4.21Å; N113-R115 PolarHBondContact O-N 3.41Å; R115-F119 HydrophobicContact CB-CB 4.07Å; R115-F119 HydrophobicContact CB-CD2 3.92Å; R115-F119 HydrophobicContact CB-CG 4Å; R115-F119 HydrophobicContact CG-CB 4.32Å; R115-F119 HydrophobicContact CG-CD1 4.28Å; R115-F119 HydrophobicContact CG-CD2 4.27Å; R115-F119 HydrophobicContact CG-CG 4.04Å; R115-Y120 HydrophobicContact CB-CE2 4.15Å; R115-D146 HydrophobicContact CG-CB 3.64Å; R115-D146 IonicContact CZ-OD2 3.83Å; R115-D146 IonicContact NE-OD2 3.4Å; R115-D146 PolarHBondContact NE-OD2 3.41Å; R115-D146 IonicContact NH2-OD2 3.21Å | ||
| 116 | T | 92.9 | Very high | 92 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | trans | -83.5 | 166.9 | 169.9 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | A109 N110 L118 F119 K144 | A109-T116 WeakPolarHBondContact O-CA 3.42Å; N110-T116 VanDerWaalsContact OD1-CG2 3.23Å; N110-T116 WeakPolarHBondContact OD1-CG2 3.09Å; T116-L118 PolarHBondContact O-N 3.35Å; T116-L118 WeakPolarHBondContact OG1-CB 3.22Å; T116-F119 PolarHBondContact O-N 3.14Å; T116-F119 WeakPolarHBondContact OG1-CD2 3.4Å; T116-K144 HydrophobicContact CG2-CB 4.31Å; T116-K144 HydrophobicContact CG2-CG 3.97Å | ||
| 117 | A | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51.1 | -30.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L85 M86 F119 Y120 C121 L135 | L85-A117 HydrophobicContact CD2-CB 4.15Å; L85-A117 HydrophobicContact CG-CB 4.2Å; M86-A117 HydrophobicContact CG-CB 4.09Å; A117-F119 VanDerWaalsContact C-N 3.28Å; A117-F119 PolarHBondContact O-N 3.41Å; A117-Y120 PolarHBondContact O-N 3.48Å; A117-Y120 VanDerWaalsContact O-N 3.15Å; A117-C121 PolarHBondContact O-N 3.34Å; A117-C121 PolarHBondContact O-SG 3.27Å; A117-C121 VanDerWaalsContact O-SG 3.41Å; A117-L135 HydrophobicContact CB-CD1 3.71Å |
| 118 | L | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.3 | -38.7 | 175.3 | -173.7 | 66.5 | 0 | 0 | 0 | 113.7 | T116 Y120 C121 I122 L132 L135 M140 A152 L170 | T116-L118 PolarHBondContact O-N 3.35Å; T116-L118 WeakPolarHBondContact OG1-CB 3.22Å; L118-Y120 VanDerWaalsContact C-N 3.33Å; L118-Y120 PolarHBondContact O-N 2.89Å; L118-C121 PolarHBondContact O-N 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.38Å; L118-L132 HydrophobicContact CD1-CD1 3.63Å; L118-L132 HydrophobicContact CD1-CG 4.46Å; L118-L135 HydrophobicContact CB-CD2 4.43Å; L118-L135 HydrophobicContact CD1-CD2 4.25Å; L118-M140 HydrophobicContact CB-SD 4.32Å; L118-M140 HydrophobicContact CD1-CE 4.13Å; L118-M140 HydrophobicContact CD1-SD 3.83Å; L118-M140 HydrophobicContact CD2-SD 3.71Å; L118-M140 HydrophobicContact CG-SD 4.17Å; L118-A152 HydrophobicContact CD2-CB 3.32Å; L118-A152 HydrophobicContact CG-CB 3.62Å; L118-L170 HydrophobicContact CD1-CD2 3.98Å; L118-L170 HydrophobicContact CD2-CD2 4.24Å; L118-L170 HydrophobicContact CG-CD2 4.45Å |
| 119 | F | 94.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | -179.4 | -74.1 | -96.2 | 0 | 0 | 0 | 111.6 | R115 T116 A117 C121 I122 D146 E150 V155 | R115-F119 HydrophobicContact CB-CB 4.07Å; R115-F119 HydrophobicContact CB-CD2 3.92Å; R115-F119 HydrophobicContact CB-CG 4Å; R115-F119 HydrophobicContact CG-CB 4.32Å; R115-F119 HydrophobicContact CG-CD1 4.28Å; R115-F119 HydrophobicContact CG-CD2 4.27Å; R115-F119 HydrophobicContact CG-CG 4.04Å; T116-F119 PolarHBondContact O-N 3.14Å; T116-F119 WeakPolarHBondContact OG1-CD2 3.4Å; A117-F119 VanDerWaalsContact C-N 3.28Å; A117-F119 PolarHBondContact O-N 3.41Å; F119-C121 VanDerWaalsContact C-N 3.27Å; F119-C121 PolarHBondContact O-N 2.81Å; F119-I122 PolarHBondContact O-N 3.3Å; F119-D146 HydrophobicContact CE1-CB 4Å; F119-D146 HydrophobicContact CZ-CB 3.89Å; F119-E150 WeakPolarHBondContact CE1-O 3.49Å; F119-E150 WeakPolarHBondContact CZ-O 3.43Å; F119-V155 HydrophobicContact CD1-CG2 3.86Å; F119-V155 HydrophobicContact CE1-CG2 3.95Å |
| 120 | Y | 93.2 | Very high | 92.7 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.7 | -22.5 | 179.3 | -67.3 | -78.3 | 0 | 0 | 0 | 112.4 | K82 M86 E90 D111 R115 A117 L118 I122 H128 | K82-Y120 VanDerWaalsContact CE-OH 3.27Å; K82-Y120 WeakPolarHBondContact CE-OH 3.18Å; M86-Y120 HydrophobicContact CB-CD2 4.1Å; M86-Y120 HydrophobicContact CB-CE2 4.31Å; M86-Y120 HydrophobicContact CG-CD2 4.24Å; M86-Y120 HydrophobicContact CG-CE2 4.39Å; M86-Y120 HydrophobicContact SD-CE2 4.26Å; E90-Y120 HydrophobicContact CB-CD1 4.01Å; E90-Y120 HydrophobicContact CG-CD1 4.3Å; D111-Y120 PolarHBondContact OD2-OH 2.97Å; R115-Y120 HydrophobicContact CB-CE2 4.15Å; A117-Y120 PolarHBondContact O-N 3.48Å; A117-Y120 VanDerWaalsContact O-N 3.15Å; L118-Y120 VanDerWaalsContact C-N 3.33Å; L118-Y120 PolarHBondContact O-N 2.89Å; Y120-I122 PolarHBondContact O-N 3.49Å; Y120-H128 PolarHBondContact O-CD2 3.3Å |
| 121 | C | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.1 | 172.4 | -60.4 | 0 | 0 | 0 | 0 | 114.1 | A117 L118 F119 S123 H128 L132 F166 | A117-C121 PolarHBondContact O-N 3.34Å; A117-C121 PolarHBondContact O-SG 3.27Å; A117-C121 VanDerWaalsContact O-SG 3.41Å; L118-C121 PolarHBondContact O-N 3.28Å; F119-C121 VanDerWaalsContact C-N 3.27Å; F119-C121 PolarHBondContact O-N 2.81Å; C121-S123 PolarHBondContact O-N 2.98Å; C121-S123 VanDerWaalsContact O-N 3.17Å; C121-H128 WeakPolarHBondContact O-CB 3.47Å; C121-L132 HydrophobicContact CB-CB 4.14Å; C121-L132 HydrophobicContact CB-CD1 4.05Å; C121-F166 WeakPolarHBondContact O-CE1 3.05Å |
| 122 | I | 92.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | trans | -93.6 | 73.9 | -173.9 | -50.3 | 177.6 | 0 | 0 | 0 | 110.1 | L118 F119 Y120 A152 V155 A156 | L118-I122 WeakPolarHBondContact O-CG1 3.38Å; F119-I122 PolarHBondContact O-N 3.3Å; Y120-I122 PolarHBondContact O-N 3.49Å; I122-A152 HydrophobicContact CD1-CB 3.71Å; I122-A152 WeakPolarHBondContact CD1-O 3.27Å; I122-V155 HydrophobicContact CD1-CB 4.3Å; I122-A156 HydrophobicContact CD1-CB 4.39Å; I122-A156 HydrophobicContact CG2-CB 3.77Å | ||
| 123 | S | 91.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -136 | 140.7 | 178 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | C121 T125 F166 | C121-S123 PolarHBondContact O-N 2.98Å; C121-S123 VanDerWaalsContact O-N 3.17Å; S123-T125 PolarHBondContact O-N 3.41Å; S123-F166 VanDerWaalsContact O-CE2 3.25Å; S123-F166 WeakPolarHBondContact O-CE2 3.41Å; S123-F166 WeakPolarHBondContact O-CZ 3.5Å |
| 124 | P | 91.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 40 Ų | 40 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -75.6 | 57.4 | -169.5 | 33.2 | -38.5 | 0 | 0 | 0 | 113.3 | E162 | P124-E162 HydrophobicContact CB-CB 4Š|
| 125 | T | 92.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 36 Ų | 36 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -135.3 | 148.2 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | S123 A127 H128 L129 F166 | S123-T125 PolarHBondContact O-N 3.41Å; T125-A127 PolarHBondContact O-N 3.01Å; T125-H128 PolarHBondContact O-N 3.15Å; T125-H128 PolarHBondContact OG1-N 2.92Å; T125-H128 PolarHBondContact OG1-ND1 3.19Å; T125-L129 PolarHBondContact O-N 3.1Å; T125-F166 WeakPolarHBondContact O-CZ 3.38Å |
| 126 | D | 92.6 | Very high | 91.8 | Very high | 104 Ų | 104 | 33.2 Ų | 33.2 | 56% | 0.556 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -67 | -25.2 | -179.5 | -68.6 | -33.5 | 0 | 0 | 0 | 112.6 | L129 K130 K165 | D126-L129 PolarHBondContact O-N 3.17Å; D126-K130 WeakPolarHBondContact O-CG 3.18Å; D126-K130 PolarHBondContact O-N 3.2Å; D126-K130 VanDerWaalsContact O-N 3.13Å; D126-K165 IonicContact OD1-NZ 3.46Å |
| 127 | A | 93.1 | Very high | 91 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G92 V94 T125 L129 K130 C131 | G92-A127 WeakPolarHBondContact O-CB 3.49Å; V94-A127 HydrophobicContact CG2-CB 4.2Å; V94-A127 WeakPolarHBondContact CG2-O 3.5Å; T125-A127 PolarHBondContact O-N 3.01Å; A127-L129 VanDerWaalsContact C-N 3.29Å; A127-L129 PolarHBondContact O-N 3.28Å; A127-K130 WeakPolarHBondContact O-CB 3.41Å; A127-K130 PolarHBondContact O-N 2.88Å; A127-K130 VanDerWaalsContact O-N 3.13Å; A127-C131 PolarHBondContact O-N 3.02Å; A127-C131 PolarHBondContact O-SG 2.85Å; A127-C131 VanDerWaalsContact O-SG 3.39Å |
| 128 | H | 95.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 177 | -70.7 | 75.2 | 0 | 0 | 0 | 112 | A89 E90 Y120 C121 T125 K130 C131 L132 F166 | A89-H128 PolarHBondContact O-CD2 3.38Å; A89-H128 PolarHBondContact O-NE2 3.47Å; A89-H128 VanDerWaalsContact O-NE2 3.16Å; E90-H128 PolarHBondContact O-NE2 3.13Å; Y120-H128 PolarHBondContact O-CD2 3.3Å; C121-H128 WeakPolarHBondContact O-CB 3.47Å; T125-H128 PolarHBondContact O-N 3.15Å; T125-H128 PolarHBondContact OG1-N 2.92Å; T125-H128 PolarHBondContact OG1-ND1 3.19Å; H128-K130 VanDerWaalsContact C-N 3.32Å; H128-K130 PolarHBondContact O-N 2.75Å; H128-C131 PolarHBondContact O-N 2.75Å; H128-L132 WeakPolarHBondContact O-CB 3.37Å; H128-L132 PolarHBondContact O-N 3.42Å; H128-F166 HydrophobicContact CB-CE1 4.24Å; H128-F166 HydrophobicContact CB-CZ 4.16Å |
| 129 | L | 93.5 | Very high | 88.8 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 173 | -173.4 | 66.5 | 0 | 0 | 0 | 111.8 | T125 D126 A127 L132 G133 K165 F166 | T125-L129 PolarHBondContact O-N 3.1Å; D126-L129 PolarHBondContact O-N 3.17Å; A127-L129 VanDerWaalsContact C-N 3.29Å; A127-L129 PolarHBondContact O-N 3.28Å; L129-L132 HydrophobicContact CD1-CD2 4.41Å; L129-L132 WeakPolarHBondContact O-CB 3.11Å; L129-L132 PolarHBondContact O-N 3.39Å; L129-G133 PolarHBondContact O-N 3.26Å; L129-K165 HydrophobicContact CD1-CB 4.24Å; L129-K165 HydrophobicContact CD2-CB 4.12Å; L129-K165 HydrophobicContact CD2-CD 3.87Å; L129-F166 HydrophobicContact CB-CE1 3.82Å; L129-F166 HydrophobicContact CB-CE2 4.37Å; L129-F166 HydrophobicContact CB-CZ 3.67Å; L129-F166 HydrophobicContact CD1-CD1 3.82Å; L129-F166 HydrophobicContact CD1-CD2 4.38Å; L129-F166 HydrophobicContact CD1-CE1 3.89Å; L129-F166 HydrophobicContact CD1-CE2 4.42Å; L129-F166 HydrophobicContact CD1-CG 4.09Å; L129-F166 HydrophobicContact CD1-CZ 4.18Å; L129-F166 HydrophobicContact CG-CE1 4.49Å |
| 130 | K | 92.5 | Very high | 88.4 | Confident | 135 Ų | 135 | 51 Ų | 51 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.6 | -42.5 | 173 | -69.2 | 174.5 | -178.8 | 179.6 | 0 | 111.6 | V94 D126 A127 H128 L132 G133 L134 | V94-K130 HydrophobicContact CG1-CB 4.09Å; V94-K130 HydrophobicContact CG2-CB 4Å; V94-K130 HydrophobicContact CG2-CD 4.33Å; D126-K130 WeakPolarHBondContact O-CG 3.18Å; D126-K130 PolarHBondContact O-N 3.2Å; D126-K130 VanDerWaalsContact O-N 3.13Å; A127-K130 WeakPolarHBondContact O-CB 3.41Å; A127-K130 PolarHBondContact O-N 2.88Å; A127-K130 VanDerWaalsContact O-N 3.13Å; H128-K130 VanDerWaalsContact C-N 3.32Å; H128-K130 PolarHBondContact O-N 2.75Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.46Å; K130-G133 PolarHBondContact O-N 2.9Å; K130-L134 WeakPolarHBondContact O-CG 3.34Å; K130-L134 PolarHBondContact O-N 3.26Å |
| 131 | C | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | F97 A127 H128 G133 L134 L135 | F97-C131 HydrophobicContact CD1-CB 4.09Å; F97-C131 HydrophobicContact CE1-CB 4.08Å; F97-C131 VanDerWaalsContact CE1-O 3.27Å; F97-C131 WeakPolarHBondContact CE1-O 3.42Å; F97-C131 HydrophobicContact CG-CB 4.28Å; F97-C131 HydrophobicContact CZ-CB 4.3Å; A127-C131 PolarHBondContact O-N 3.02Å; A127-C131 PolarHBondContact O-SG 2.85Å; A127-C131 VanDerWaalsContact O-SG 3.39Å; H128-C131 PolarHBondContact O-N 2.75Å; C131-G133 PolarHBondContact O-N 3.29Å; C131-L134 PolarHBondContact O-N 2.75Å; C131-L135 WeakPolarHBondContact O-CB 3.5Å; C131-L135 PolarHBondContact O-N 2.79Å |
| 132 | L | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 174.1 | -171.8 | 107.1 | 0 | 0 | 0 | 111 | L118 C121 H128 L129 K130 L134 L135 L136 F166 E169 L170 | L118-L132 HydrophobicContact CD1-CD1 3.63Å; L118-L132 HydrophobicContact CD1-CG 4.46Å; C121-L132 HydrophobicContact CB-CB 4.14Å; C121-L132 HydrophobicContact CB-CD1 4.05Å; H128-L132 WeakPolarHBondContact O-CB 3.37Å; H128-L132 PolarHBondContact O-N 3.42Å; L129-L132 HydrophobicContact CD1-CD2 4.41Å; L129-L132 WeakPolarHBondContact O-CB 3.11Å; L129-L132 PolarHBondContact O-N 3.39Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.46Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 2.99Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-L136 HydrophobicContact CD2-CD1 3.56Å; L132-L136 HydrophobicContact CG-CD1 3.77Å; L132-L136 HydrophobicContact CG-CG 4.38Å; L132-L136 WeakPolarHBondContact O-CD1 3.35Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.18Å; L132-L136 PolarHBondContact O-N 2.8Å; L132-F166 HydrophobicContact CB-CD1 4.49Å; L132-F166 HydrophobicContact CD1-CD1 4.28Å; L132-F166 HydrophobicContact CD2-CD1 4.2Å; L132-E169 HydrophobicContact CD2-CB 3.76Å; L132-E169 HydrophobicContact CD2-CG 3.68Å; L132-L170 HydrophobicContact CD1-CD2 4.09Å; L132-L170 HydrophobicContact CD1-CG 4.44Å |
| 133 | G | 91.3 | Very high | 87.9 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -35.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L129 K130 C131 | L129-G133 PolarHBondContact O-N 3.26Å; K130-G133 PolarHBondContact O-N 2.9Å; C131-G133 PolarHBondContact O-N 3.29Å |
| 134 | L | 88.7 | Confident | 87.9 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.1 | -27.4 | 174.5 | -69.1 | 173.2 | 0 | 0 | 0 | 113.2 | V94 F97 K98 L101 K130 C131 L132 | V94-L134 HydrophobicContact CG1-CD1 3.88Å; F97-L134 HydrophobicContact CD1-CB 4.25Å; F97-L134 HydrophobicContact CD1-CD1 4.16Å; F97-L134 HydrophobicContact CE1-CB 4.06Å; K98-L134 HydrophobicContact CB-CD1 3.94Å; K98-L134 HydrophobicContact CG-CD1 4.42Å; L101-L134 HydrophobicContact CD1-CB 4.22Å; K130-L134 WeakPolarHBondContact O-CG 3.34Å; K130-L134 PolarHBondContact O-N 3.26Å; C131-L134 PolarHBondContact O-N 2.75Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 PolarHBondContact O-N 2.99Å |
| 135 | L | 88.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.8 | -31.1 | -178.8 | -159.9 | 157.8 | 0 | 0 | 0 | 111.1 | F97 R107 A117 L118 C131 L132 D137 M140 | F97-L135 HydrophobicContact CE1-CB 4.26Å; F97-L135 HydrophobicContact CE2-CD1 4.43Å; F97-L135 HydrophobicContact CZ-CB 4.08Å; F97-L135 HydrophobicContact CZ-CD1 3.68Å; F97-L135 HydrophobicContact CZ-CG 4.24Å; R107-L135 PolarHBondContact NH1-O 2.86Å; A117-L135 HydrophobicContact CB-CD1 3.71Å; L118-L135 HydrophobicContact CB-CD2 4.43Å; L118-L135 HydrophobicContact CD1-CD2 4.25Å; C131-L135 WeakPolarHBondContact O-CB 3.5Å; C131-L135 PolarHBondContact O-N 2.79Å; L132-L135 PolarHBondContact O-N 3.19Å; L135-D137 VanDerWaalsContact C-N 3.3Å; L135-D137 PolarHBondContact O-N 3.34Å; L135-M140 HydrophobicContact CD2-CB 4.42Å; L135-M140 HydrophobicContact CD2-CE 3.44Å; L135-M140 VanDerWaalsContact CD2-CE 3.44Å; L135-M140 HydrophobicContact CD2-CG 3.37Å; L135-M140 HydrophobicContact CD2-SD 3.18Å; L135-M140 WeakPolarHBondContact CD2-SD 3.38Å |
| 136 | L | 81 | Confident | 88.1 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | trans | -69.9 | 70 | -179.8 | -69.6 | 159.6 | 0 | 0 | 0 | 113.6 | L132 M140 I142 E169 N173 | L132-L136 HydrophobicContact CD2-CD1 3.56Å; L132-L136 HydrophobicContact CG-CD1 3.77Å; L132-L136 HydrophobicContact CG-CG 4.38Å; L132-L136 WeakPolarHBondContact O-CD1 3.35Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.18Å; L132-L136 PolarHBondContact O-N 2.8Å; L136-M140 VanDerWaalsContact CA-CE 3.49Å; L136-M140 HydrophobicContact CB-CE 4.09Å; L136-M140 HydrophobicContact CD2-CE 3.22Å; L136-M140 HydrophobicContact CG-CE 3.64Å; L136-I142 HydrophobicContact CD2-CD1 4.13Å; L136-I142 HydrophobicContact CD2-CG1 4.43Å; L136-E169 HydrophobicContact CD1-CG 3.49Å; L136-E169 VanDerWaalsContact CD1-CG 3.49Å; L136-N173 HydrophobicContact CD2-CB 3.58Å | ||
| 137 | D | 75.7 | Confident | 88.2 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -103.5 | 164.8 | 157.6 | -56.4 | -51.2 | 0 | 0 | 0 | 111.3 | R107 L135 S139 M140 | R107-D137 IonicContact CZ-OD2 3.65Å; R107-D137 VanDerWaalsContact NH1-CB 3.34Å; R107-D137 IonicContact NH1-OD2 3.06Å; R107-D137 PolarHBondContact NH1-OD2 3.22Å; R107-D137 IonicContact NH2-OD2 3.99Å; R107-D137 PolarHBondContact NH2-OD2 3.24Å; R107-D137 VanDerWaalsContact NH2-OD2 3.14Å; L135-D137 VanDerWaalsContact C-N 3.3Å; L135-D137 PolarHBondContact O-N 3.34Å; D137-S139 PolarHBondContact O-N 3.21Å; D137-M140 WeakPolarHBondContact O-CB 3.44Å; D137-M140 PolarHBondContact O-N 3.27Å |
| 138 | K | 64.4 | Low | 88.1 | Confident | 223 Ų | 223 | 60 Ų | 60 | 97% | 0.97 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -17.8 | 178.7 | -67.6 | -174.8 | 177.7 | -179.3 | 0 | 115.6 | ||
| 139 | S | 74.3 | Confident | 87.9 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.8 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | R107 N108 D137 | R107-S139 PolarHBondContact NH1-OG 2.99Å; N108-S139 PolarHBondContact ND2-O 2.87Å; D137-S139 PolarHBondContact O-N 3.21Å |
| 140 | M | 84.6 | Confident | 88 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | trans | -80.8 | 137.3 | -176.3 | -162.1 | -140.5 | -39.4 | 0 | 0 | 113 | L118 L135 L136 D137 I142 | L118-M140 HydrophobicContact CB-SD 4.32Å; L118-M140 HydrophobicContact CD1-CE 4.13Å; L118-M140 HydrophobicContact CD1-SD 3.83Å; L118-M140 HydrophobicContact CD2-SD 3.71Å; L118-M140 HydrophobicContact CG-SD 4.17Å; L135-M140 HydrophobicContact CD2-CB 4.42Å; L135-M140 HydrophobicContact CD2-CE 3.44Å; L135-M140 VanDerWaalsContact CD2-CE 3.44Å; L135-M140 HydrophobicContact CD2-CG 3.37Å; L135-M140 HydrophobicContact CD2-SD 3.18Å; L135-M140 WeakPolarHBondContact CD2-SD 3.38Å; L136-M140 VanDerWaalsContact CA-CE 3.49Å; L136-M140 HydrophobicContact CB-CE 4.09Å; L136-M140 HydrophobicContact CD2-CE 3.22Å; L136-M140 HydrophobicContact CG-CE 3.64Å; D137-M140 WeakPolarHBondContact O-CB 3.44Å; D137-M140 PolarHBondContact O-N 3.27Å; M140-I142 VanDerWaalsContact C-N 3.28Å; M140-I142 HydrophobicContact CB-CG1 4.29Å; M140-I142 HydrophobicContact CE-CD1 4.23Å; M140-I142 HydrophobicContact CE-CG1 3.61Å; M140-I142 HydrophobicContact CG-CG1 4.44Å; M140-I142 PolarHBondContact O-N 3.48Å; M140-I142 HydrophobicContact SD-CB 4.46Å; M140-I142 HydrophobicContact SD-CG1 3.61Å | ||
| 141 | L | 87.8 | Confident | 88.1 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | trans | -81 | 68.8 | 172.2 | -62.2 | 176.2 | 0 | 0 | 0 | 111.8 | N108 N143 K144 | N108-L141 HydrophobicContact CB-CD1 4.14Å; N108-L141 PolarHBondContact OD1-N 3.48Å; N108-L141 VanDerWaalsContact OD1-N 3.16Å; L141-N143 PolarHBondContact O-N 3.45Å; L141-N143 VanDerWaalsContact O-N 3.11Å; L141-K144 HydrophobicContact CB-CB 4.29Å; L141-K144 WeakPolarHBondContact O-CB 3.42Å; L141-K144 PolarHBondContact O-N 3.45Å; L141-K144 VanDerWaalsContact O-N 3.07Å | ||
| 142 | I | 89.5 | Confident | 88.1 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.108 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.4 | -176 | -65.4 | 167 | 0 | 0 | 0 | 113.1 | L136 M140 K144 N173 A175 | L136-I142 HydrophobicContact CD2-CD1 4.13Å; L136-I142 HydrophobicContact CD2-CG1 4.43Å; M140-I142 VanDerWaalsContact C-N 3.28Å; M140-I142 HydrophobicContact CB-CG1 4.29Å; M140-I142 HydrophobicContact CE-CD1 4.23Å; M140-I142 HydrophobicContact CE-CG1 3.61Å; M140-I142 HydrophobicContact CG-CG1 4.44Å; M140-I142 PolarHBondContact O-N 3.48Å; M140-I142 HydrophobicContact SD-CB 4.46Å; M140-I142 HydrophobicContact SD-CG1 3.61Å; I142-K144 VanDerWaalsContact C-N 3.34Å; I142-N173 HydrophobicContact CD1-CB 3.91Å; I142-N173 WeakPolarHBondContact CD1-O 3.43Å; I142-A175 HydrophobicContact CG2-CB 3.58Å |
| 143 | N | 92.1 | Very high | 88.2 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 14 | -175.4 | -67.6 | -42.2 | 0 | 0 | 0 | 113.8 | L141 Q145 N176 I179 | L141-N143 PolarHBondContact O-N 3.45Å; L141-N143 VanDerWaalsContact O-N 3.11Å; N143-Q145 PolarHBondContact O-N 3.13Å; N143-N176 PolarHBondContact OD1-N 3.13Å; N143-I179 HydrophobicContact CB-CD1 3.73Å |
| 144 | K | 92.4 | Very high | 88.4 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | trans | -63.3 | 133.9 | 173.9 | -177.1 | 63.8 | -177.6 | 171.7 | 0 | 109.7 | N110 T116 L141 I142 | N110-K144 WeakPolarHBondContact ND2-CE 3.34Å; T116-K144 HydrophobicContact CG2-CB 4.31Å; T116-K144 HydrophobicContact CG2-CG 3.97Å; L141-K144 HydrophobicContact CB-CB 4.29Å; L141-K144 WeakPolarHBondContact O-CB 3.42Å; L141-K144 PolarHBondContact O-N 3.45Å; L141-K144 VanDerWaalsContact O-N 3.07Å; I142-K144 VanDerWaalsContact C-N 3.34Å | ||
| 145 | Q | 93.6 | Very high | 88.6 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -96.3 | 144.1 | 175.7 | -67.4 | 177.8 | -62.3 | 0 | 0 | 110.1 | N143 G149 E150 T151 I179 Y180 | N143-Q145 PolarHBondContact O-N 3.13Å; Q145-G149 WeakPolarHBondContact CG-O 3.4Å; Q145-G149 PolarHBondContact NE2-O 2.88Å; Q145-E150 CarbonylContact C-O 3.55Å; Q145-E150 WeakPolarHBondContact CA-O 3.49Å; Q145-T151 HydrophobicContact CG-CG2 3.74Å; Q145-I179 HydrophobicContact CG-CG2 4.1Å; Q145-Y180 PolarHBondContact NE2-O 3.07Å |
| 146 | D | 94.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | trans | -79.8 | -175.8 | 169.5 | 78.3 | -5.9 | 0 | 0 | 0 | 111.6 | N113 R115 F119 D148 G149 E150 | N113-D146 WeakPolarHBondContact O-CB 3.27Å; R115-D146 HydrophobicContact CG-CB 3.64Å; R115-D146 IonicContact CZ-OD2 3.83Å; R115-D146 IonicContact NE-OD2 3.4Å; R115-D146 PolarHBondContact NE-OD2 3.41Å; R115-D146 IonicContact NH2-OD2 3.21Å; F119-D146 HydrophobicContact CE1-CB 4Å; F119-D146 HydrophobicContact CZ-CB 3.89Å; D146-D148 PolarHBondContact O-N 3.02Å; D146-D148 VanDerWaalsContact O-N 3.16Å; D146-D148 WeakPolarHBondContact OD1-CA 3.27Å; D146-D148 WeakPolarHBondContact OD1-CB 3.37Å; D146-D148 PolarHBondContact OD1-N 3.42Å; D146-G149 WeakPolarHBondContact O-CA 3.27Å; D146-G149 PolarHBondContact O-N 3.05Å; D146-G149 PolarHBondContact OD1-N 3.43Å; D146-E150 PolarHBondContact N-O 3.02Å; D146-E150 WeakPolarHBondContact OD1-CB 3.21Å; D146-E150 PolarHBondContact OD1-N 2.88Å | ||
| 147 | R | 92.9 | Very high | 89.5 | Confident | 146 Ų | 146 | 48.5 Ų | 48.5 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.8 | 179.3 | -172.3 | 176.9 | -179.1 | -173.8 | 1.1 | 112.9 | N113 G149 K182 | N113-R147 VanDerWaalsContact O-CB 3.3Å; N113-R147 WeakPolarHBondContact O-CB 3.4Å; N113-R147 PolarHBondContact O-N 2.95Å; R147-G149 VanDerWaalsContact C-N 3.27Å; R147-K182 WeakPolarHBondContact O-CD 3.34Å; R147-K182 WeakPolarHBondContact O-CE 3.15Å; R147-K182 PolarHBondContact O-NZ 2.74Å |
| 148 | D | 91.2 | Very high | 90.2 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.7 | 174.7 | -65.9 | -35.9 | 0 | 0 | 0 | 112.4 | D146 E150 S181 K182 | D146-D148 PolarHBondContact O-N 3.02Å; D146-D148 VanDerWaalsContact O-N 3.16Å; D146-D148 WeakPolarHBondContact OD1-CA 3.27Å; D146-D148 WeakPolarHBondContact OD1-CB 3.37Å; D146-D148 PolarHBondContact OD1-N 3.42Å; D148-E150 HydrophobicContact CB-CG 4.1Å; D148-E150 PolarHBondContact O-N 3.26Å; D148-S181 PolarHBondContact O-OG 3.43Å; D148-K182 WeakPolarHBondContact O-CB 3.49Å; D148-K182 VanDerWaalsContact O-CG 3.27Å; D148-K182 WeakPolarHBondContact O-CG 3.42Å; D148-K182 PolarHBondContact O-N 2.94Å |
| 149 | G | 92.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 72.8 | 11.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q145 D146 R147 S181 | Q145-G149 WeakPolarHBondContact CG-O 3.4Å; Q145-G149 PolarHBondContact NE2-O 2.88Å; D146-G149 WeakPolarHBondContact O-CA 3.27Å; D146-G149 PolarHBondContact O-N 3.05Å; D146-G149 PolarHBondContact OD1-N 3.43Å; R147-G149 VanDerWaalsContact C-N 3.27Å; G149-S181 WeakPolarHBondContact O-CA 3.36Å |
| 150 | E | 94.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | trans | -87 | 132 | -177.6 | -63.9 | -172.3 | 170.5 | 0 | 0 | 109.7 | F119 Q145 D146 D148 H154 V155 K158 S181 | F119-E150 WeakPolarHBondContact CE1-O 3.49Å; F119-E150 WeakPolarHBondContact CZ-O 3.43Å; Q145-E150 CarbonylContact C-O 3.55Å; Q145-E150 WeakPolarHBondContact CA-O 3.49Å; D146-E150 PolarHBondContact N-O 3.02Å; D146-E150 WeakPolarHBondContact OD1-CB 3.21Å; D146-E150 PolarHBondContact OD1-N 2.88Å; D148-E150 HydrophobicContact CB-CG 4.1Å; D148-E150 PolarHBondContact O-N 3.26Å; E150-H154 HydrophobicContact CB-CB 3.94Å; E150-H154 HydrophobicContact CG-CB 4.31Å; E150-V155 HydrophobicContact CB-CG2 4.34Å; E150-K158 WeakPolarHBondContact OE1-CE 3.48Å; E150-K158 IonicContact OE1-NZ 3.47Å; E150-K158 PolarHBondContact OE1-NZ 3.07Å; E150-K158 WeakPolarHBondContact OE2-CE 3.27Å; E150-K158 IonicContact OE2-NZ 2.71Å; E150-K158 PolarHBondContact OE2-NZ 3.25Å; E150-S181 WeakPolarHBondContact CG-OG 2.95Å | ||
| 151 | T | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -81.4 | 163.8 | 166.8 | 65.8 | 0 | 0 | 0 | 0 | 109.9 | Q145 L153 H154 V155 I179 | Q145-T151 HydrophobicContact CG-CG2 3.74Å; T151-L153 PolarHBondContact O-N 3.09Å; T151-L153 VanDerWaalsContact O-N 3.11Å; T151-L153 PolarHBondContact OG1-N 3.13Å; T151-H154 PolarHBondContact N-ND1 3.39Å; T151-H154 WeakPolarHBondContact O-CB 3.24Å; T151-H154 PolarHBondContact O-N 2.75Å; T151-H154 PolarHBondContact OG1-N 2.98Å; T151-H154 PolarHBondContact OG1-ND1 3.11Å; T151-V155 PolarHBondContact O-N 3.17Å; T151-I179 HydrophobicContact CG2-CB 4.17Å; T151-I179 HydrophobicContact CG2-CD1 3.79Å; T151-I179 HydrophobicContact CG2-CG2 3.85Å |
| 152 | A | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -47.2 | -41.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L118 I122 H154 V155 A156 | L118-A152 HydrophobicContact CD2-CB 3.32Å; L118-A152 HydrophobicContact CG-CB 3.62Å; I122-A152 HydrophobicContact CD1-CB 3.71Å; I122-A152 WeakPolarHBondContact CD1-O 3.27Å; A152-H154 VanDerWaalsContact C-N 3.35Å; A152-H154 PolarHBondContact O-N 3.35Å; A152-V155 PolarHBondContact O-N 3.44Å; A152-A156 PolarHBondContact O-N 3.39Å |
| 153 | L | 95.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -38 | 177.1 | -173.1 | 65.8 | 0 | 0 | 0 | 112.9 | T151 A156 C157 I167 L170 L171 A175 P177 A187 | T151-L153 PolarHBondContact O-N 3.09Å; T151-L153 VanDerWaalsContact O-N 3.11Å; T151-L153 PolarHBondContact OG1-N 3.13Å; L153-A156 PolarHBondContact O-N 2.96Å; L153-C157 WeakPolarHBondContact O-CB 3.12Å; L153-C157 PolarHBondContact O-N 3.16Å; L153-C157 PolarHBondContact O-SG 2.99Å; L153-I167 HydrophobicContact CD1-CG2 4.09Å; L153-L170 HydrophobicContact CD1-CB 4.24Å; L153-L170 HydrophobicContact CD1-CD1 4.34Å; L153-L171 HydrophobicContact CD1-CD2 4.02Å; L153-L171 HydrophobicContact CD1-CG 4.05Å; L153-L171 HydrophobicContact CD2-CD2 3.65Å; L153-A175 HydrophobicContact CB-CB 4.39Å; L153-A175 HydrophobicContact CD2-CB 4.09Å; L153-P177 HydrophobicContact CD2-CB 4Å; L153-A187 HydrophobicContact CB-CB 4.27Å; L153-A187 HydrophobicContact CD2-CB 3.88Å; L153-A187 HydrophobicContact CG-CB 3.76Å |
| 154 | H | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 175 | -71.8 | 81.2 | 0 | 0 | 0 | 111.3 | E150 T151 A152 A156 C157 K158 I179 K185 A187 | E150-H154 HydrophobicContact CB-CB 3.94Å; E150-H154 HydrophobicContact CG-CB 4.31Å; T151-H154 PolarHBondContact N-ND1 3.39Å; T151-H154 WeakPolarHBondContact O-CB 3.24Å; T151-H154 PolarHBondContact O-N 2.75Å; T151-H154 PolarHBondContact OG1-N 2.98Å; T151-H154 PolarHBondContact OG1-ND1 3.11Å; A152-H154 VanDerWaalsContact C-N 3.35Å; A152-H154 PolarHBondContact O-N 3.35Å; H154-A156 VanDerWaalsContact C-N 3.3Å; H154-A156 PolarHBondContact O-N 3.48Å; H154-C157 PolarHBondContact O-N 3.13Å; H154-C157 VanDerWaalsContact O-N 3.15Å; H154-K158 PolarHBondContact O-N 3.02Å; H154-K158 VanDerWaalsContact O-N 3.08Å; H154-I179 PolarHBondContact CE1-O 2.93Å; H154-I179 PolarHBondContact NE2-O 3.4Å; H154-K185 PolarHBondContact NE2-O 3.29Å; H154-A187 PolarHBondContact CD2-N 2.95Å; H154-A187 PolarHBondContact NE2-N 3.23Å |
| 155 | V | 93 | Very high | 92.7 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 179.7 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | F119 I122 E150 T151 A152 | F119-V155 HydrophobicContact CD1-CG2 3.86Å; F119-V155 HydrophobicContact CE1-CG2 3.95Å; I122-V155 HydrophobicContact CD1-CB 4.3Å; E150-V155 HydrophobicContact CB-CG2 4.34Å; T151-V155 PolarHBondContact O-N 3.17Å; A152-V155 PolarHBondContact O-N 3.44Å |
| 156 | A | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I122 A152 L153 H154 K158 R159 S160 I167 L170 | I122-A156 HydrophobicContact CD1-CB 4.39Å; I122-A156 HydrophobicContact CG2-CB 3.77Å; A152-A156 PolarHBondContact O-N 3.39Å; L153-A156 PolarHBondContact O-N 2.96Å; H154-A156 VanDerWaalsContact C-N 3.3Å; H154-A156 PolarHBondContact O-N 3.48Å; A156-K158 PolarHBondContact O-N 3.47Å; A156-R159 CarbonylContact O-C 3.58Å; A156-R159 PolarHBondContact O-N 3.42Å; A156-S160 PolarHBondContact O-N 3.27Å; A156-I167 HydrophobicContact CB-CD1 4.43Å; A156-I167 HydrophobicContact CB-CG1 3.7Å; A156-L170 HydrophobicContact CB-CD1 4.19Å |
| 157 | C | 93.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -27.2 | -178.2 | -71.5 | 0 | 0 | 0 | 0 | 114.1 | L153 H154 R159 S160 A187 E190 A191 T194 | L153-C157 WeakPolarHBondContact O-CB 3.12Å; L153-C157 PolarHBondContact O-N 3.16Å; L153-C157 PolarHBondContact O-SG 2.99Å; H154-C157 PolarHBondContact O-N 3.13Å; H154-C157 VanDerWaalsContact O-N 3.15Å; C157-R159 PolarHBondContact O-N 3.18Å; C157-S160 WeakPolarHBondContact O-CB 3.49Å; C157-S160 PolarHBondContact O-N 3.47Å; C157-A187 WeakPolarHBondContact CB-O 3.33Å; C157-E190 HydrophobicContact CB-CB 4.07Å; C157-E190 HydrophobicContact CB-CG 4.37Å; C157-A191 HydrophobicContact CB-CB 4.17Å; C157-T194 WeakPolarHBondContact O-CG2 3.37Å; C157-T194 PolarHBondContact O-OG1 2.92Å |
| 158 | K | 91.2 | Very high | 92.8 | Very high | 90 Ų | 90 | 41.6 Ų | 41.6 | 39% | 0.391 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.6 | -30 | 173.1 | -75.2 | 178.4 | 174.2 | 174.7 | 0 | 113.5 | E150 H154 A156 E190 T194 | E150-K158 WeakPolarHBondContact OE1-CE 3.48Å; E150-K158 IonicContact OE1-NZ 3.47Å; E150-K158 PolarHBondContact OE1-NZ 3.07Å; E150-K158 WeakPolarHBondContact OE2-CE 3.27Å; E150-K158 IonicContact OE2-NZ 2.71Å; E150-K158 PolarHBondContact OE2-NZ 3.25Å; H154-K158 PolarHBondContact O-N 3.02Å; H154-K158 VanDerWaalsContact O-N 3.08Å; A156-K158 PolarHBondContact O-N 3.47Å; K158-E190 HydrophobicContact CB-CG 4.41Å; K158-E190 HydrophobicContact CG-CG 3.77Å; K158-T194 WeakPolarHBondContact O-CG2 3.28Å |
| 159 | R | 90.9 | Very high | 92.8 | Very high | 152 Ų | 152 | 41.2 Ų | 41.2 | 57% | 0.574 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | 48.8 | 176.1 | -63 | -177.8 | 74.8 | 152.3 | 5.9 | 110.8 | A156 C157 I161 E162 N163 | A156-R159 CarbonylContact O-C 3.58Å; A156-R159 PolarHBondContact O-N 3.42Å; C157-R159 PolarHBondContact O-N 3.18Å; R159-I161 VanDerWaalsContact C-N 3.28Å; R159-I161 PolarHBondContact O-N 2.82Å; R159-I161 VanDerWaalsContact O-N 3.13Å; R159-E162 IonicContact CZ-OE2 3.83Å; R159-E162 IonicContact NE-OE2 3.94Å; R159-E162 PolarHBondContact NE-OE2 3.49Å; R159-E162 IonicContact NH2-OE1 3.33Å; R159-E162 PolarHBondContact NH2-OE1 3.39Å; R159-E162 IonicContact NH2-OE2 3.79Å; R159-E162 PolarHBondContact NH2-OE2 2.89Å; R159-E162 PolarHBondContact O-N 3.25Å; R159-E162 VanDerWaalsContact O-N 3.11Å; R159-N163 PolarHBondContact O-N 2.97Å; R159-N163 VanDerWaalsContact O-N 3.09Å |
| 160 | S | 86.4 | Confident | 92.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34.1 | -168.1 | -164.2 | 0 | 0 | 0 | 0 | 115.2 | A156 C157 E162 N163 E164 I167 T194 S196 S199 | A156-S160 PolarHBondContact O-N 3.27Å; C157-S160 WeakPolarHBondContact O-CB 3.49Å; C157-S160 PolarHBondContact O-N 3.47Å; S160-E162 VanDerWaalsContact C-N 3.29Å; S160-E162 PolarHBondContact O-N 3.26Å; S160-N163 PolarHBondContact O-N 2.91Å; S160-E164 WeakPolarHBondContact O-CG 3.48Å; S160-E164 PolarHBondContact O-N 3.21Å; S160-E164 VanDerWaalsContact O-N 3.13Å; S160-I167 VanDerWaalsContact OG-CD1 3.24Å; S160-I167 WeakPolarHBondContact OG-CD1 3.47Å; S160-T194 WeakPolarHBondContact CB-OG1 3.42Å; S160-S196 WeakPolarHBondContact OG-CB 3.3Å; S160-S199 WeakPolarHBondContact OG-CB 3.45Å; S160-S199 PolarHBondContact OG-OG 3.42Å |
| 161 | I | 89.4 | Confident | 92.8 | Very high | 115 Ų | 115 | 41.1 Ų | 41.1 | 59% | 0.59 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -36.7 | -178.8 | -59.7 | 174.4 | 0 | 0 | 0 | 111.4 | R159 T194 | R159-I161 VanDerWaalsContact C-N 3.28Å; R159-I161 PolarHBondContact O-N 2.82Å; R159-I161 VanDerWaalsContact O-N 3.13Å; I161-T194 WeakPolarHBondContact CD1-O 3.39Å |
| 162 | E | 90.5 | Very high | 92.6 | Very high | 100 Ų | 100 | 47 Ų | 47 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -34.6 | -179.6 | -62.2 | 170.3 | 173.9 | 0 | 0 | 110.5 | P124 R159 S160 | P124-E162 HydrophobicContact CB-CB 4Å; R159-E162 IonicContact CZ-OE2 3.83Å; R159-E162 IonicContact NE-OE2 3.94Å; R159-E162 PolarHBondContact NE-OE2 3.49Å; R159-E162 IonicContact NH2-OE1 3.33Å; R159-E162 PolarHBondContact NH2-OE1 3.39Å; R159-E162 IonicContact NH2-OE2 3.79Å; R159-E162 PolarHBondContact NH2-OE2 2.89Å; R159-E162 PolarHBondContact O-N 3.25Å; R159-E162 VanDerWaalsContact O-N 3.11Å; S160-E162 VanDerWaalsContact C-N 3.29Å; S160-E162 PolarHBondContact O-N 3.26Å |
| 163 | N | 92.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | trans | -97.6 | 17.2 | -172.3 | -67.1 | -21.5 | 0 | 0 | 0 | 114.5 | R159 S160 K165 F166 I167 | R159-N163 PolarHBondContact O-N 2.97Å; R159-N163 VanDerWaalsContact O-N 3.09Å; S160-N163 PolarHBondContact O-N 2.91Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 2.63Å; N163-K165 VanDerWaalsContact O-N 3.16Å; N163-F166 HydrophobicContact CB-CB 4.44Å; N163-F166 HydrophobicContact CB-CD2 4.32Å; N163-F166 WeakPolarHBondContact O-CB 3.4Å; N163-F166 PolarHBondContact O-N 2.64Å; N163-I167 WeakPolarHBondContact O-CG1 3.33Å; N163-I167 PolarHBondContact O-N 3.04Å | ||
| 164 | E | 93.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.2 | -42.3 | -174.7 | -63.7 | -167 | 168 | 0 | 0 | 112.9 | S160 I167 L168 S196 T198 | S160-E164 WeakPolarHBondContact O-CG 3.48Å; S160-E164 PolarHBondContact O-N 3.21Å; S160-E164 VanDerWaalsContact O-N 3.13Å; E164-I167 PolarHBondContact O-N 3.23Å; E164-L168 WeakPolarHBondContact O-CG 3.44Å; E164-L168 PolarHBondContact O-N 2.55Å; E164-S196 VanDerWaalsContact CD-OG 3.27Å; E164-S196 WeakPolarHBondContact CG-OG 3.34Å; E164-S196 WeakPolarHBondContact OE1-CB 3.3Å; E164-S196 PolarHBondContact OE1-OG 2.95Å; E164-T198 PolarHBondContact OE1-OG1 2.92Å; E164-T198 PolarHBondContact OE2-OG1 3.23Å |
| 165 | K | 93.4 | Very high | 92.2 | Very high | 127 Ų | 127 | 52.2 Ų | 52.2 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 178 | -65.9 | -178.8 | -176.2 | 175.9 | 0 | 112.5 | D126 L129 N163 L168 E169 | D126-K165 IonicContact OD1-NZ 3.46Å; L129-K165 HydrophobicContact CD1-CB 4.24Å; L129-K165 HydrophobicContact CD2-CB 4.12Å; L129-K165 HydrophobicContact CD2-CD 3.87Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 2.63Å; N163-K165 VanDerWaalsContact O-N 3.16Å; K165-L168 PolarHBondContact O-N 2.91Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 PolarHBondContact O-N 3.24Å |
| 166 | F | 94.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 178.3 | -66.7 | -90.6 | 0 | 0 | 0 | 111.3 | C121 S123 T125 H128 L129 L132 N163 E169 L170 | C121-F166 WeakPolarHBondContact O-CE1 3.05Å; S123-F166 VanDerWaalsContact O-CE2 3.25Å; S123-F166 WeakPolarHBondContact O-CE2 3.41Å; S123-F166 WeakPolarHBondContact O-CZ 3.5Å; T125-F166 WeakPolarHBondContact O-CZ 3.38Å; H128-F166 HydrophobicContact CB-CE1 4.24Å; H128-F166 HydrophobicContact CB-CZ 4.16Å; L129-F166 HydrophobicContact CB-CE1 3.82Å; L129-F166 HydrophobicContact CB-CE2 4.37Å; L129-F166 HydrophobicContact CB-CZ 3.67Å; L129-F166 HydrophobicContact CD1-CD1 3.82Å; L129-F166 HydrophobicContact CD1-CD2 4.38Å; L129-F166 HydrophobicContact CD1-CE1 3.89Å; L129-F166 HydrophobicContact CD1-CE2 4.42Å; L129-F166 HydrophobicContact CD1-CG 4.09Å; L129-F166 HydrophobicContact CD1-CZ 4.18Å; L129-F166 HydrophobicContact CG-CE1 4.49Å; L132-F166 HydrophobicContact CB-CD1 4.49Å; L132-F166 HydrophobicContact CD1-CD1 4.28Å; L132-F166 HydrophobicContact CD2-CD1 4.2Å; N163-F166 HydrophobicContact CB-CB 4.44Å; N163-F166 HydrophobicContact CB-CD2 4.32Å; N163-F166 WeakPolarHBondContact O-CB 3.4Å; N163-F166 PolarHBondContact O-N 2.64Å; F166-E169 PolarHBondContact O-N 2.65Å; F166-L170 WeakPolarHBondContact O-CB 3.36Å; F166-L170 VanDerWaalsContact O-CG 3.24Å; F166-L170 WeakPolarHBondContact O-CG 3.3Å; F166-L170 PolarHBondContact O-N 3.13Å |
| 167 | I | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 177.9 | -65.9 | 166.3 | 0 | 0 | 0 | 110.4 | L153 A156 S160 N163 E164 E169 L170 L171 | L153-I167 HydrophobicContact CD1-CG2 4.09Å; A156-I167 HydrophobicContact CB-CD1 4.43Å; A156-I167 HydrophobicContact CB-CG1 3.7Å; S160-I167 VanDerWaalsContact OG-CD1 3.24Å; S160-I167 WeakPolarHBondContact OG-CD1 3.47Å; N163-I167 WeakPolarHBondContact O-CG1 3.33Å; N163-I167 PolarHBondContact O-N 3.04Å; E164-I167 PolarHBondContact O-N 3.23Å; I167-E169 VanDerWaalsContact C-N 3.33Å; I167-E169 PolarHBondContact O-N 3.31Å; I167-L170 PolarHBondContact O-N 3.34Å; I167-L171 HydrophobicContact CG2-CD1 3.64Å; I167-L171 HydrophobicContact CG2-CG 4.26Å; I167-L171 WeakPolarHBondContact O-CB 3.4Å; I167-L171 WeakPolarHBondContact O-CG 3.37Å; I167-L171 PolarHBondContact O-N 3.44Å |
| 168 | L | 93.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 175.4 | -72 | 168.9 | 0 | 0 | 0 | 111.3 | E164 K165 L171 N172 A202 | E164-L168 WeakPolarHBondContact O-CG 3.44Å; E164-L168 PolarHBondContact O-N 2.55Å; K165-L168 PolarHBondContact O-N 2.91Å; L168-L171 PolarHBondContact O-N 3.21Å; L168-N172 VanDerWaalsContact O-CB 3.31Å; L168-N172 WeakPolarHBondContact O-CB 3.17Å; L168-N172 PolarHBondContact O-N 2.91Å; L168-N172 PolarHBondContact O-ND2 3.12Å; L168-A202 HydrophobicContact CD2-CB 3.51Å |
| 169 | E | 92 | Very high | 92.3 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | -178.5 | -162.4 | 61.6 | -151.8 | 0 | 0 | 112.2 | L132 L136 K165 F166 I167 N173 | L132-E169 HydrophobicContact CD2-CB 3.76Å; L132-E169 HydrophobicContact CD2-CG 3.68Å; L136-E169 HydrophobicContact CD1-CG 3.49Å; L136-E169 VanDerWaalsContact CD1-CG 3.49Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 PolarHBondContact O-N 3.24Å; F166-E169 PolarHBondContact O-N 2.65Å; I167-E169 VanDerWaalsContact C-N 3.33Å; I167-E169 PolarHBondContact O-N 3.31Å; E169-N173 PolarHBondContact O-N 3.36Å; E169-N173 PolarHBondContact O-ND2 3.03Å; E169-N173 PolarHBondContact OE1-ND2 3.04Å |
| 170 | L | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.4 | -74.7 | 172.8 | 0 | 0 | 0 | 111.9 | L118 L132 L153 A156 F166 I167 N173 G174 A175 | L118-L170 HydrophobicContact CD1-CD2 3.98Å; L118-L170 HydrophobicContact CD2-CD2 4.24Å; L118-L170 HydrophobicContact CG-CD2 4.45Å; L132-L170 HydrophobicContact CD1-CD2 4.09Å; L132-L170 HydrophobicContact CD1-CG 4.44Å; L153-L170 HydrophobicContact CD1-CB 4.24Å; L153-L170 HydrophobicContact CD1-CD1 4.34Å; A156-L170 HydrophobicContact CB-CD1 4.19Å; F166-L170 WeakPolarHBondContact O-CB 3.36Å; F166-L170 VanDerWaalsContact O-CG 3.24Å; F166-L170 WeakPolarHBondContact O-CG 3.3Å; F166-L170 PolarHBondContact O-N 3.13Å; I167-L170 PolarHBondContact O-N 3.34Å; L170-N173 PolarHBondContact O-N 3.46Å; L170-G174 PolarHBondContact O-N 3.43Å; L170-A175 HydrophobicContact CB-CB 3.99Å; L170-A175 WeakPolarHBondContact O-CB 3.21Å; L170-A175 PolarHBondContact O-N 3Å |
| 171 | L | 93.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -40.8 | -179.2 | -70.1 | 172.5 | 0 | 0 | 0 | 112 | L153 I167 L168 N173 G174 P177 A202 A203 A206 | L153-L171 HydrophobicContact CD1-CD2 4.02Å; L153-L171 HydrophobicContact CD1-CG 4.05Å; L153-L171 HydrophobicContact CD2-CD2 3.65Å; I167-L171 HydrophobicContact CG2-CD1 3.64Å; I167-L171 HydrophobicContact CG2-CG 4.26Å; I167-L171 WeakPolarHBondContact O-CB 3.4Å; I167-L171 WeakPolarHBondContact O-CG 3.37Å; I167-L171 PolarHBondContact O-N 3.44Å; L168-L171 PolarHBondContact O-N 3.21Å; L171-N173 PolarHBondContact O-N 3.32Å; L171-G174 PolarHBondContact O-N 3.39Å; L171-P177 HydrophobicContact CD2-CB 4.42Å; L171-A202 HydrophobicContact CD1-CB 3.69Å; L171-A203 HydrophobicContact CD1-CB 4.17Å; L171-A206 HydrophobicContact CB-CB 4.09Å; L171-A206 HydrophobicContact CD2-CB 3.82Å; L171-A206 HydrophobicContact CG-CB 4.39Å |
| 172 | N | 91 | Very high | 92.7 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 67% | 0.668 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.3 | -28 | 176.1 | -72.4 | -17 | 0 | 0 | 0 | 112.4 | L168 | L168-N172 VanDerWaalsContact O-CB 3.31Å; L168-N172 WeakPolarHBondContact O-CB 3.17Å; L168-N172 PolarHBondContact O-N 2.91Å; L168-N172 PolarHBondContact O-ND2 3.12Å |
| 173 | N | 90.7 | Very high | 92.5 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 34% | 0.342 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 10.4 | 177.2 | -75.3 | -78.7 | 0 | 0 | 0 | 113.8 | L136 I142 E169 L170 L171 | L136-N173 HydrophobicContact CD2-CB 3.58Å; I142-N173 HydrophobicContact CD1-CB 3.91Å; I142-N173 WeakPolarHBondContact CD1-O 3.43Å; E169-N173 PolarHBondContact O-N 3.36Å; E169-N173 PolarHBondContact O-ND2 3.03Å; E169-N173 PolarHBondContact OE1-ND2 3.04Å; L170-N173 PolarHBondContact O-N 3.46Å; L171-N173 PolarHBondContact O-N 3.32Å |
| 174 | G | 90.2 | Very high | 92.3 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 21.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L170 L171 N176 | L170-G174 PolarHBondContact O-N 3.43Å; L171-G174 PolarHBondContact O-N 3.39Å; G174-N176 PolarHBondContact O-N 3Å |
| 175 | A | 93.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | trans | -60 | 128.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I142 L153 L170 P177 | I142-A175 HydrophobicContact CG2-CB 3.58Å; L153-A175 HydrophobicContact CB-CB 4.39Å; L153-A175 HydrophobicContact CD2-CB 4.09Å; L170-A175 HydrophobicContact CB-CB 3.99Å; L170-A175 WeakPolarHBondContact O-CB 3.21Å; L170-A175 PolarHBondContact O-N 3Å; A175-P177 VanDerWaalsContact O-CD 3.27Å; A175-P177 WeakPolarHBondContact O-CD 3.46Å | ||
| 176 | N | 93.3 | Very high | 92.2 | Very high | 63 Ų | 63 | 46 Ų | 46 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | trans | -86.6 | 114.1 | -178 | -176.7 | -5 | 0 | 0 | 0 | 110.4 | N143 G174 N178 I179 | N143-N176 PolarHBondContact OD1-N 3.13Å; G174-N176 PolarHBondContact O-N 3Å; N176-N178 VanDerWaalsContact C-N 3.26Å; N176-N178 PolarHBondContact O-N 3.43Å; N176-N178 WeakPolarHBondContact OD1-CB 3.31Å; N176-N178 PolarHBondContact OD1-N 3.25Å; N176-I179 HydrophobicContact CB-CD1 3.85Å; N176-I179 HydrophobicContact CB-CG1 4.13Å | ||
| 177 | P | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.4 | -179.3 | 31.5 | -37.1 | 0 | 0 | 0 | 114.6 | L153 L171 A175 T186 A187 F188 A203 A208 | L153-P177 HydrophobicContact CD2-CB 4Å; L171-P177 HydrophobicContact CD2-CB 4.42Å; A175-P177 VanDerWaalsContact O-CD 3.27Å; A175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-T186 WeakPolarHBondContact O-CB 3.45Å; P177-A187 PolarHBondContact O-N 3.35Å; P177-F188 HydrophobicContact CB-CB 4.47Å; P177-A203 HydrophobicContact CB-CB 4.36Å; P177-A208 HydrophobicContact CB-CB 3.86Å; P177-A208 HydrophobicContact CG-CB 3.58Å |
| 178 | N | 94.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.2 | -171.2 | -60.6 | -36.3 | 0 | 0 | 0 | 114.3 | N176 G207 A208 D209 | N176-N178 VanDerWaalsContact C-N 3.26Å; N176-N178 PolarHBondContact O-N 3.43Å; N176-N178 WeakPolarHBondContact OD1-CB 3.31Å; N176-N178 PolarHBondContact OD1-N 3.25Å; N178-G207 PolarHBondContact ND2-O 3.45Å; N178-A208 VanDerWaalsContact OD1-CA 3.3Å; N178-A208 WeakPolarHBondContact OD1-CA 3.45Å; N178-D209 PolarHBondContact OD1-N 3.3Å |
| 179 | I | 94.4 | Very high | 92.1 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 139.3 | 176.5 | -65 | 169.3 | 0 | 0 | 0 | 108.6 | N143 Q145 T151 H154 N176 T186 | N143-I179 HydrophobicContact CB-CD1 3.73Å; Q145-I179 HydrophobicContact CG-CG2 4.1Å; T151-I179 HydrophobicContact CG2-CB 4.17Å; T151-I179 HydrophobicContact CG2-CD1 3.79Å; T151-I179 HydrophobicContact CG2-CG2 3.85Å; H154-I179 PolarHBondContact CE1-O 2.93Å; H154-I179 PolarHBondContact NE2-O 3.4Å; N176-I179 HydrophobicContact CB-CD1 3.85Å; N176-I179 HydrophobicContact CB-CG1 4.13Å; I179-T186 WeakPolarHBondContact O-CA 3.48Å |
| 180 | Y | 92.8 | Very high | 92.1 | Very high | 113 Ų | 113 | 41.4 Ų | 41.4 | 44% | 0.443 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -94.9 | 131 | 178.1 | -75.7 | -89.2 | 0 | 0 | 0 | 111.3 | Q145 G184 T186 C213 | Q145-Y180 PolarHBondContact NE2-O 3.07Å; Y180-G184 WeakPolarHBondContact CD1-O 3.19Å; Y180-T186 HydrophobicContact CD1-CG2 3.73Å; Y180-T186 HydrophobicContact CD2-CG2 4.12Å; Y180-T186 HydrophobicContact CE1-CG2 3.55Å; Y180-T186 HydrophobicContact CE2-CG2 3.95Å; Y180-T186 HydrophobicContact CG-CG2 4.03Å; Y180-C213 WeakPolarHBondContact CE1-O 3.35Å |
| 181 | S | 92.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 164.4 | 164.6 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | D148 G149 E150 N183 G184 K185 | D148-S181 PolarHBondContact O-OG 3.43Å; G149-S181 WeakPolarHBondContact O-CA 3.36Å; E150-S181 WeakPolarHBondContact CG-OG 2.95Å; S181-N183 PolarHBondContact O-N 3.18Å; S181-N183 PolarHBondContact OG-N 3.24Å; S181-G184 WeakPolarHBondContact O-CA 3.47Å; S181-G184 PolarHBondContact O-N 3.09Å; S181-K185 PolarHBondContact N-O 3.18Å |
| 182 | K | 89.8 | Confident | 92.1 | Very high | 127 Ų | 127 | 40.9 Ų | 40.9 | 55% | 0.552 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.4 | 169.2 | -68.8 | -177.7 | -179.3 | -177.8 | 0 | 112.7 | R147 D148 G184 K215 | R147-K182 WeakPolarHBondContact O-CD 3.34Å; R147-K182 WeakPolarHBondContact O-CE 3.15Å; R147-K182 PolarHBondContact O-NZ 2.74Å; D148-K182 WeakPolarHBondContact O-CB 3.49Å; D148-K182 VanDerWaalsContact O-CG 3.27Å; D148-K182 WeakPolarHBondContact O-CG 3.42Å; D148-K182 PolarHBondContact O-N 2.94Å; K182-G184 PolarHBondContact O-N 2.72Å; K182-K215 WeakPolarHBondContact O-CE 3.18Å; K182-K215 PolarHBondContact O-NZ 2.68Å |
| 183 | N | 85.8 | Confident | 92 | Very high | 104 Ų | 104 | 35.5 Ų | 35.5 | 56% | 0.556 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.4 | 171.3 | -65.1 | -21 | 0 | 0 | 0 | 112.5 | S181 K185 K215 | S181-N183 PolarHBondContact O-N 3.18Å; S181-N183 PolarHBondContact OG-N 3.24Å; N183-K185 VanDerWaalsContact C-N 3.32Å; N183-K215 WeakPolarHBondContact O-CE 3.43Å |
| 184 | G | 87.9 | Confident | 92 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 77 | 16.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y180 S181 K182 D214 | Y180-G184 WeakPolarHBondContact CD1-O 3.19Å; S181-G184 WeakPolarHBondContact O-CA 3.47Å; S181-G184 PolarHBondContact O-N 3.09Å; K182-G184 PolarHBondContact O-N 2.72Å; G184-D214 VanDerWaalsContact O-CA 3.3Å; G184-D214 WeakPolarHBondContact O-CA 3.45Å |
| 185 | K | 90.8 | Very high | 91.7 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 24% | 0.239 | 17% | 0.165 | C | C | . | . | trans | -100.7 | 144.3 | 172.3 | -64.5 | -170.9 | 176.8 | -169.9 | 0 | 110.3 | H154 S181 N183 E190 D214 | H154-K185 PolarHBondContact NE2-O 3.29Å; S181-K185 PolarHBondContact N-O 3.18Å; N183-K185 VanDerWaalsContact C-N 3.32Å; K185-E190 WeakPolarHBondContact CD-OE2 3.38Å; K185-D214 HydrophobicContact CG-CB 4.03Å | ||
| 186 | T | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -87.9 | 158.9 | 167.4 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | P177 I179 Y180 F188 L189 E190 | P177-T186 WeakPolarHBondContact O-CB 3.45Å; I179-T186 WeakPolarHBondContact O-CA 3.48Å; Y180-T186 HydrophobicContact CD1-CG2 3.73Å; Y180-T186 HydrophobicContact CD2-CG2 4.12Å; Y180-T186 HydrophobicContact CE1-CG2 3.55Å; Y180-T186 HydrophobicContact CE2-CG2 3.95Å; Y180-T186 HydrophobicContact CG-CG2 4.03Å; T186-F188 PolarHBondContact O-N 3.06Å; T186-L189 PolarHBondContact O-N 3.25Å; T186-L189 WeakPolarHBondContact OG1-CG 3.25Å; T186-L189 PolarHBondContact OG1-N 2.99Å; T186-E190 PolarHBondContact O-N 3.36Å; T186-E190 VanDerWaalsContact O-N 3.14Å |
| 187 | A | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L153 H154 C157 P177 E190 A191 | L153-A187 HydrophobicContact CB-CB 4.27Å; L153-A187 HydrophobicContact CD2-CB 3.88Å; L153-A187 HydrophobicContact CG-CB 3.76Å; H154-A187 PolarHBondContact CD2-N 2.95Å; H154-A187 PolarHBondContact NE2-N 3.23Å; C157-A187 WeakPolarHBondContact CB-O 3.33Å; P177-A187 PolarHBondContact O-N 3.35Å; A187-E190 PolarHBondContact O-N 3.26Å; A187-A191 PolarHBondContact O-N 3.28Å |
| 188 | F | 94 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 173 | 168.3 | -103.2 | 0 | 0 | 0 | 113.1 | P177 T186 E190 A191 C192 V200 A203 L204 A208 L210 S212 L236 | P177-F188 HydrophobicContact CB-CB 4.47Å; T186-F188 PolarHBondContact O-N 3.06Å; F188-E190 VanDerWaalsContact C-N 3.33Å; F188-A191 PolarHBondContact O-N 3.08Å; F188-C192 PolarHBondContact O-N 2.94Å; F188-C192 VanDerWaalsContact O-N 3.1Å; F188-C192 PolarHBondContact O-SG 3.5Å; F188-V200 HydrophobicContact CE2-CG1 3.84Å; F188-A203 HydrophobicContact CD2-CB 4.13Å; F188-L204 HydrophobicContact CD2-CD2 4.28Å; F188-L204 HydrophobicContact CD2-CG 4.34Å; F188-L204 HydrophobicContact CE2-CD1 4.04Å; F188-L204 HydrophobicContact CE2-CD2 3.53Å; F188-L204 HydrophobicContact CE2-CG 3.62Å; F188-L204 HydrophobicContact CZ-CD2 3.86Å; F188-L204 HydrophobicContact CZ-CG 4.36Å; F188-A208 HydrophobicContact CB-CB 3.96Å; F188-A208 HydrophobicContact CD2-CB 3.76Å; F188-A208 HydrophobicContact CE2-CB 4.46Å; F188-A208 HydrophobicContact CG-CB 3.9Å; F188-L210 HydrophobicContact CZ-CD1 4.33Å; F188-S212 WeakPolarHBondContact CD1-OG 3.31Å; F188-L236 HydrophobicContact CE2-CD2 4.3Å; F188-L236 HydrophobicContact CZ-CD2 3.67Å |
| 189 | L | 93.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 177.3 | -73 | 172.6 | 0 | 0 | 0 | 111.3 | T186 A191 C192 G193 D214 | T186-L189 PolarHBondContact O-N 3.25Å; T186-L189 WeakPolarHBondContact OG1-CG 3.25Å; T186-L189 PolarHBondContact OG1-N 2.99Å; L189-A191 PolarHBondContact O-N 3.44Å; L189-C192 WeakPolarHBondContact O-CB 3.35Å; L189-C192 PolarHBondContact O-N 3.41Å; L189-G193 PolarHBondContact O-N 3.3Å; L189-D214 HydrophobicContact CD1-CB 4.28Å |
| 190 | E | 91.5 | Very high | 91.2 | Very high | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.22 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.9 | -160.2 | 66.2 | -161.3 | 0 | 0 | 111.6 | C157 K158 K185 T186 A187 F188 C192 G193 T194 | C157-E190 HydrophobicContact CB-CB 4.07Å; C157-E190 HydrophobicContact CB-CG 4.37Å; K158-E190 HydrophobicContact CB-CG 4.41Å; K158-E190 HydrophobicContact CG-CG 3.77Å; K185-E190 WeakPolarHBondContact CD-OE2 3.38Å; T186-E190 PolarHBondContact O-N 3.36Å; T186-E190 VanDerWaalsContact O-N 3.14Å; A187-E190 PolarHBondContact O-N 3.26Å; F188-E190 VanDerWaalsContact C-N 3.33Å; E190-C192 VanDerWaalsContact C-N 3.28Å; E190-C192 PolarHBondContact O-N 3.37Å; E190-G193 PolarHBondContact O-N 3.43Å; E190-G193 VanDerWaalsContact O-N 3.15Å; E190-T194 PolarHBondContact O-N 3.36Å; E190-T194 PolarHBondContact O-OG1 3.45Å |
| 191 | A | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -34.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C157 A187 F188 L189 G193 T194 V200 | C157-A191 HydrophobicContact CB-CB 4.17Å; A187-A191 PolarHBondContact O-N 3.28Å; F188-A191 PolarHBondContact O-N 3.08Å; L189-A191 PolarHBondContact O-N 3.44Å; A191-G193 VanDerWaalsContact C-N 3.3Å; A191-G193 PolarHBondContact O-N 3.2Å; A191-T194 PolarHBondContact O-OG1 3.15Å; A191-T194 VanDerWaalsContact O-OG1 3.09Å; A191-V200 HydrophobicContact CB-CG2 3.88Å; A191-V200 WeakPolarHBondContact O-CG2 3.32Å |
| 192 | C | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -34.2 | 176.5 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | F188 L189 E190 V232 | F188-C192 PolarHBondContact O-N 2.94Å; F188-C192 VanDerWaalsContact O-N 3.1Å; F188-C192 PolarHBondContact O-SG 3.5Å; L189-C192 WeakPolarHBondContact O-CB 3.35Å; L189-C192 PolarHBondContact O-N 3.41Å; E190-C192 VanDerWaalsContact C-N 3.28Å; E190-C192 PolarHBondContact O-N 3.37Å; C192-V232 HydrophobicContact CB-CG1 4.21Å |
| 193 | G | 90 | Very high | 91.4 | Very high | 11 Ų | 11 | 19 Ų | 19 | 11% | 0.113 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -77.2 | -25.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L189 E190 A191 N227 H229 | L189-G193 PolarHBondContact O-N 3.3Å; E190-G193 PolarHBondContact O-N 3.43Å; E190-G193 VanDerWaalsContact O-N 3.15Å; A191-G193 VanDerWaalsContact C-N 3.3Å; A191-G193 PolarHBondContact O-N 3.2Å; G193-N227 WeakPolarHBondContact CA-ND2 3.46Å; G193-N227 PolarHBondContact O-ND2 3.14Å; G193-H229 PolarHBondContact O-CD2 3.22Å; G193-H229 VanDerWaalsContact O-CD2 3.31Å; G193-H229 PolarHBondContact O-NE2 3.2Å |
| 194 | T | 90 | Very high | 91.7 | Very high | 27 Ų | 27 | 14.8 Ų | 14.8 | 17% | 0.166 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -85 | -17.2 | 178.6 | 53 | 0 | 0 | 0 | 0 | 113.8 | C157 K158 S160 I161 E190 A191 | C157-T194 WeakPolarHBondContact O-CG2 3.37Å; C157-T194 PolarHBondContact O-OG1 2.92Å; K158-T194 WeakPolarHBondContact O-CG2 3.28Å; S160-T194 WeakPolarHBondContact CB-OG1 3.42Å; I161-T194 WeakPolarHBondContact CD1-O 3.39Å; E190-T194 PolarHBondContact O-N 3.36Å; E190-T194 PolarHBondContact O-OG1 3.45Å; A191-T194 PolarHBondContact O-OG1 3.15Å; A191-T194 VanDerWaalsContact O-OG1 3.09Å |
| 195 | G | 84.5 | Confident | 91.8 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 6.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116.3 | S197 H229 | G195-S197 PolarHBondContact O-N 2.75Å; G195-H229 WeakPolarHBondContact CA-CD2 3.15Å; G195-H229 PolarHBondContact N-CD2 3.17Å; G195-H229 VanDerWaalsContact N-CD2 3.32Å; G195-H229 PolarHBondContact N-NE2 3.22Å |
| 196 | S | 89.3 | Confident | 91.8 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | trans | -75.4 | 106.9 | 174.4 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | S160 E164 T198 S199 V200 | S160-S196 WeakPolarHBondContact OG-CB 3.3Å; E164-S196 VanDerWaalsContact CD-OG 3.27Å; E164-S196 WeakPolarHBondContact CG-OG 3.34Å; E164-S196 WeakPolarHBondContact OE1-CB 3.3Å; E164-S196 PolarHBondContact OE1-OG 2.95Å; S196-T198 VanDerWaalsContact C-N 3.32Å; S196-T198 PolarHBondContact O-N 3.03Å; S196-T198 PolarHBondContact OG-OG1 3.22Å; S196-T198 VanDerWaalsContact OG-OG1 3.05Å; S196-S199 WeakPolarHBondContact OG-CB 3.39Å; S196-S199 PolarHBondContact OG-N 3.4Å; S196-S199 PolarHBondContact OG-OG 3.47Å; S196-V200 VanDerWaalsContact O-CG2 3.31Å; S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 2.98Å | ||
| 197 | S | 90.9 | Very high | 91.7 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 25% | 0.252 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.4 | -32.8 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 113 | G195 A201 | G195-S197 PolarHBondContact O-N 2.75Å; S197-A201 WeakPolarHBondContact O-CB 3.39Å; S197-A201 PolarHBondContact O-N 2.72Å |
| 198 | T | 92.4 | Very high | 91.7 | Very high | 61 Ų | 61 | 21.8 Ų | 21.8 | 37% | 0.374 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.2 | -46.8 | 179.5 | 45 | 0 | 0 | 0 | 0 | 110.5 | E164 S196 A201 A202 | E164-T198 PolarHBondContact OE1-OG1 2.92Å; E164-T198 PolarHBondContact OE2-OG1 3.23Å; S196-T198 VanDerWaalsContact C-N 3.32Å; S196-T198 PolarHBondContact O-N 3.03Å; S196-T198 PolarHBondContact OG-OG1 3.22Å; S196-T198 VanDerWaalsContact OG-OG1 3.05Å; T198-A201 PolarHBondContact O-N 3.14Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 3.22Å |
| 199 | S | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | S160 S196 A202 A203 | S160-S199 WeakPolarHBondContact OG-CB 3.45Å; S160-S199 PolarHBondContact OG-OG 3.42Å; S196-S199 WeakPolarHBondContact OG-CB 3.39Å; S196-S199 PolarHBondContact OG-N 3.4Å; S196-S199 PolarHBondContact OG-OG 3.47Å; S199-A202 PolarHBondContact O-N 3.43Å; S199-A203 WeakPolarHBondContact O-CB 3.37Å; S199-A203 PolarHBondContact O-N 3.35Å |
| 200 | V | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.5 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | F188 A191 S196 A202 A203 L204 V232 V235 L236 | F188-V200 HydrophobicContact CE2-CG1 3.84Å; A191-V200 HydrophobicContact CB-CG2 3.88Å; A191-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 VanDerWaalsContact O-CG2 3.31Å; S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 2.98Å; V200-A202 VanDerWaalsContact C-N 3.3Å; V200-A202 PolarHBondContact O-N 3.4Å; V200-A203 PolarHBondContact O-N 3.17Å; V200-L204 HydrophobicContact CG1-CD1 4.1Å; V200-L204 WeakPolarHBondContact O-CG 3.44Å; V200-L204 PolarHBondContact O-N 3.39Å; V200-V232 HydrophobicContact CG1-CG1 4.27Å; V200-V232 HydrophobicContact CG2-CG1 4.07Å; V200-V232 HydrophobicContact CG2-CG2 4.32Å; V200-V235 HydrophobicContact CB-CG1 4.47Å; V200-V235 HydrophobicContact CG1-CG1 3.95Å; V200-L236 HydrophobicContact CG1-CD2 4.41Å |
| 201 | A | 92.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -31.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S197 T198 R205 V235 V328 | S197-A201 WeakPolarHBondContact O-CB 3.39Å; S197-A201 PolarHBondContact O-N 2.72Å; T198-A201 PolarHBondContact O-N 3.14Å; A201-R205 VanDerWaalsContact CB-NH1 3.33Å; A201-R205 VanDerWaalsContact O-CG 3.29Å; A201-R205 WeakPolarHBondContact O-CG 3.49Å; A201-R205 PolarHBondContact O-N 3.2Å; A201-R205 VanDerWaalsContact O-N 3.15Å; A201-R205 PolarHBondContact O-NH1 2.64Å; A201-R205 VanDerWaalsContact O-NH1 3.16Å; A201-V235 HydrophobicContact CB-CG1 3.71Å; A201-V235 HydrophobicContact CB-CG2 4.3Å; A201-V328 HydrophobicContact CB-CG1 4.15Å |
| 202 | A | 91.7 | Very high | 91 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.7 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L168 L171 T198 S199 V200 L204 R205 A206 | L168-A202 HydrophobicContact CD2-CB 3.51Å; L171-A202 HydrophobicContact CD1-CB 3.69Å; T198-A202 WeakPolarHBondContact O-CB 3.44Å; T198-A202 PolarHBondContact O-N 3.22Å; S199-A202 PolarHBondContact O-N 3.43Å; V200-A202 VanDerWaalsContact C-N 3.3Å; V200-A202 PolarHBondContact O-N 3.4Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 3.05Å; A202-R205 WeakPolarHBondContact O-CB 3.38Å; A202-R205 PolarHBondContact O-N 3.22Å; A202-R205 VanDerWaalsContact O-N 3.12Å; A202-A206 PolarHBondContact O-N 3.17Å |
| 203 | A | 93.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L171 P177 F188 S199 V200 A206 G207 A208 | L171-A203 HydrophobicContact CD1-CB 4.17Å; P177-A203 HydrophobicContact CB-CB 4.36Å; F188-A203 HydrophobicContact CD2-CB 4.13Å; S199-A203 WeakPolarHBondContact O-CB 3.37Å; S199-A203 PolarHBondContact O-N 3.35Å; V200-A203 PolarHBondContact O-N 3.17Å; A203-A206 CarbonylContact O-C 3.56Å; A203-A206 PolarHBondContact O-N 2.94Å; A203-G207 PolarHBondContact O-N 3.3Å; A203-A208 HydrophobicContact CB-CB 4.15Å; A203-A208 WeakPolarHBondContact O-CB 3.23Å; A203-A208 PolarHBondContact O-N 3.01Å |
| 204 | L | 92.3 | Very high | 90.9 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 175.6 | -69.8 | 168.5 | 0 | 0 | 0 | 112.7 | F188 V200 A202 A206 G207 A208 L210 V235 L236 F239 | F188-L204 HydrophobicContact CD2-CD2 4.28Å; F188-L204 HydrophobicContact CD2-CG 4.34Å; F188-L204 HydrophobicContact CE2-CD1 4.04Å; F188-L204 HydrophobicContact CE2-CD2 3.53Å; F188-L204 HydrophobicContact CE2-CG 3.62Å; F188-L204 HydrophobicContact CZ-CD2 3.86Å; F188-L204 HydrophobicContact CZ-CG 4.36Å; V200-L204 HydrophobicContact CG1-CD1 4.1Å; V200-L204 WeakPolarHBondContact O-CG 3.44Å; V200-L204 PolarHBondContact O-N 3.39Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 3.05Å; L204-A206 VanDerWaalsContact C-N 3.27Å; L204-A206 PolarHBondContact O-N 3.06Å; L204-G207 PolarHBondContact O-N 3.14Å; L204-G207 VanDerWaalsContact O-N 3.13Å; L204-A208 HydrophobicContact CD2-CB 4.21Å; L204-L210 HydrophobicContact CD1-CD1 4.41Å; L204-L210 HydrophobicContact CD2-CD1 3.73Å; L204-V235 HydrophobicContact CD1-CG1 3.94Å; L204-L236 HydrophobicContact CD1-CD2 4.44Å; L204-F239 HydrophobicContact CB-CD1 3.9Å; L204-F239 HydrophobicContact CB-CD2 4.04Å; L204-F239 HydrophobicContact CB-CE1 3.69Å; L204-F239 HydrophobicContact CB-CE2 3.84Å; L204-F239 HydrophobicContact CB-CG 4.07Å; L204-F239 HydrophobicContact CB-CZ 3.66Å; L204-F239 HydrophobicContact CD1-CB 4.13Å; L204-F239 HydrophobicContact CD1-CD1 4.4Å; L204-F239 HydrophobicContact CD1-CD2 3.38Å; L204-F239 HydrophobicContact CD1-CE2 3.8Å; L204-F239 HydrophobicContact CD1-CG 3.72Å; L204-F239 HydrophobicContact CD1-CZ 4.47Å; L204-F239 HydrophobicContact CG-CD2 4.3Å; L204-F239 HydrophobicContact CG-CE2 4.48Å; L204-F239 HydrophobicContact CG-CG 4.36Å |
| 205 | R | 90.3 | Very high | 90.8 | Very high | 110 Ų | 110 | 37.7 Ų | 37.7 | 42% | 0.415 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.7 | -34 | 172.9 | -76.9 | 179 | -179.2 | 89.4 | -11.7 | 112.2 | A201 A202 G207 F239 F329 D332 | A201-R205 VanDerWaalsContact CB-NH1 3.33Å; A201-R205 VanDerWaalsContact O-CG 3.29Å; A201-R205 WeakPolarHBondContact O-CG 3.49Å; A201-R205 PolarHBondContact O-N 3.2Å; A201-R205 VanDerWaalsContact O-N 3.15Å; A201-R205 PolarHBondContact O-NH1 2.64Å; A201-R205 VanDerWaalsContact O-NH1 3.16Å; A202-R205 WeakPolarHBondContact O-CB 3.38Å; A202-R205 PolarHBondContact O-N 3.22Å; A202-R205 VanDerWaalsContact O-N 3.12Å; R205-G207 PolarHBondContact O-N 2.54Å; R205-F239 HydrophobicContact CG-CZ 4.23Å; R205-F329 HydrophobicContact CG-CE1 4.46Å; R205-F329 HydrophobicContact CG-CZ 4.45Å; R205-F329 VanDerWaalsContact NE-CE1 3.34Å; R205-D332 IonicContact CZ-OD2 2.75Å; R205-D332 IonicContact NE-OD2 2.75Å; R205-D332 IonicContact NH2-OD2 3.71Å; R205-D332 PolarHBondContact NH2-OD2 2.87Å |
| 206 | A | 91.1 | Very high | 91 | Very high | 45 Ų | 45 | 41 Ų | 41 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 4.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L171 A202 A203 L204 | L171-A206 HydrophobicContact CB-CB 4.09Å; L171-A206 HydrophobicContact CD2-CB 3.82Å; L171-A206 HydrophobicContact CG-CB 4.39Å; A202-A206 PolarHBondContact O-N 3.17Å; A203-A206 CarbonylContact O-C 3.56Å; A203-A206 PolarHBondContact O-N 2.94Å; L204-A206 VanDerWaalsContact C-N 3.27Å; L204-A206 PolarHBondContact O-N 3.06Å |
| 207 | G | 90.7 | Very high | 91.1 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 26.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N178 A203 L204 R205 D209 | N178-G207 PolarHBondContact ND2-O 3.45Å; A203-G207 PolarHBondContact O-N 3.3Å; L204-G207 PolarHBondContact O-N 3.14Å; L204-G207 VanDerWaalsContact O-N 3.13Å; R205-G207 PolarHBondContact O-N 2.54Å; G207-D209 PolarHBondContact O-N 3.37Å |
| 208 | A | 92.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 46 Ų | 46 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | trans | -59.3 | 133.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | P177 N178 F188 A203 L204 L210 | P177-A208 HydrophobicContact CB-CB 3.86Å; P177-A208 HydrophobicContact CG-CB 3.58Å; N178-A208 VanDerWaalsContact OD1-CA 3.3Å; N178-A208 WeakPolarHBondContact OD1-CA 3.45Å; F188-A208 HydrophobicContact CB-CB 3.96Å; F188-A208 HydrophobicContact CD2-CB 3.76Å; F188-A208 HydrophobicContact CE2-CB 4.46Å; F188-A208 HydrophobicContact CG-CB 3.9Å; A203-A208 HydrophobicContact CB-CB 4.15Å; A203-A208 WeakPolarHBondContact O-CB 3.23Å; A203-A208 PolarHBondContact O-N 3.01Å; L204-A208 HydrophobicContact CD2-CB 4.21Å; A208-L210 PolarHBondContact O-N 3.16Å | ||
| 209 | D | 91.1 | Very high | 91.1 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 40% | 0.401 | 24% | 0.236 | S | C | . | . | trans | -72.3 | 113.8 | 176.5 | -177.6 | 10.7 | 0 | 0 | 0 | 109.7 | N178 G207 N211 S212 | N178-D209 PolarHBondContact OD1-N 3.3Å; G207-D209 PolarHBondContact O-N 3.37Å; D209-N211 PolarHBondContact O-N 3.45Å; D209-N211 PolarHBondContact OD1-N 3.15Å; D209-S212 WeakPolarHBondContact O-CB 3.37Å; D209-S212 PolarHBondContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 2.88Å | ||
| 210 | L | 89.1 | Confident | 91.1 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.6 | 180 | -166 | 63.7 | 0 | 0 | 0 | 112.5 | F188 L204 A208 L236 F239 F241 | F188-L210 HydrophobicContact CZ-CD1 4.33Å; L204-L210 HydrophobicContact CD1-CD1 4.41Å; L204-L210 HydrophobicContact CD2-CD1 3.73Å; A208-L210 PolarHBondContact O-N 3.16Å; L210-L236 HydrophobicContact CD1-CD2 3.96Å; L210-F239 HydrophobicContact CD1-CB 4.44Å; L210-F239 HydrophobicContact CD2-CB 4.37Å; L210-F241 HydrophobicContact CD1-CB 4.07Å; L210-F241 HydrophobicContact CD1-CD2 3.61Å; L210-F241 HydrophobicContact CD1-CG 4.33Å; L210-F241 HydrophobicContact CD2-CB 4.05Å; L210-F241 HydrophobicContact CD2-CD2 4.4Å; L210-F241 HydrophobicContact CG-CB 4.15Å; L210-F241 HydrophobicContact CG-CD2 3.62Å; L210-F241 HydrophobicContact CG-CE2 4.48Å; L210-F241 HydrophobicContact CG-CG 4.33Å; L210-F241 WeakPolarHBondContact O-CE2 3.23Å |
| 211 | N | 87.9 | Confident | 91 | Very high | 118 Ų | 118 | 43.3 Ų | 43.3 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.8 | -179 | -61.8 | -48.6 | 0 | 0 | 0 | 113.4 | D209 C213 | D209-N211 PolarHBondContact O-N 3.45Å; D209-N211 PolarHBondContact OD1-N 3.15Å; N211-C213 PolarHBondContact O-N 3.35Å |
| 212 | S | 89.4 | Confident | 91.1 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -57.9 | 137.6 | 175.7 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | F188 D209 | F188-S212 WeakPolarHBondContact CD1-OG 3.31Å; D209-S212 WeakPolarHBondContact O-CB 3.37Å; D209-S212 PolarHBondContact O-N 3.16Å; D209-S212 PolarHBondContact O-OG 2.88Å | ||
| 213 | C | 90.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 30% | 0.297 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -139.2 | 157.4 | 177.6 | 61.9 | 0 | 0 | 0 | 0 | 110 | Y180 N211 Q218 | Y180-C213 WeakPolarHBondContact CE1-O 3.35Å; N211-C213 PolarHBondContact O-N 3.35Å; C213-Q218 VanDerWaalsContact CA-O 3.28Å; C213-Q218 WeakPolarHBondContact CA-O 3.41Å |
| 214 | D | 90.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | trans | -83.7 | -172.6 | 177.7 | 70.6 | 6.9 | 0 | 0 | 0 | 113 | G184 K185 L189 D216 K217 Q218 | G184-D214 VanDerWaalsContact O-CA 3.3Å; G184-D214 WeakPolarHBondContact O-CA 3.45Å; K185-D214 HydrophobicContact CG-CB 4.03Å; L189-D214 HydrophobicContact CD1-CB 4.28Å; D214-D216 PolarHBondContact O-N 3.3Å; D214-D216 WeakPolarHBondContact OD1-CA 3.22Å; D214-D216 PolarHBondContact OD1-N 3.45Å; D214-K217 WeakPolarHBondContact O-CA 3.32Å; D214-K217 PolarHBondContact O-N 2.85Å; D214-K217 PolarHBondContact OD1-N 3.02Å; D214-K217 VanDerWaalsContact OD1-N 3.17Å; D214-Q218 PolarHBondContact N-O 2.85Å; D214-Q218 WeakPolarHBondContact OD1-CA 3.13Å; D214-Q218 WeakPolarHBondContact OD1-CB 3.29Å; D214-Q218 PolarHBondContact OD1-N 3.28Å | ||
| 215 | K | 89 | Confident | 91.3 | Very high | 139 Ų | 139 | 42.8 Ų | 42.8 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.6 | 178 | -62.9 | -176.8 | -178.5 | 173 | 0 | 112.9 | K182 N183 K217 N248 | K182-K215 WeakPolarHBondContact O-CE 3.18Å; K182-K215 PolarHBondContact O-NZ 2.68Å; N183-K215 WeakPolarHBondContact O-CE 3.43Å; K215-K217 PolarHBondContact O-N 3.07Å; K215-N248 PolarHBondContact O-ND2 2.97Å; K215-N248 VanDerWaalsContact O-ND2 3.14Å |
| 216 | D | 88.9 | Confident | 91.4 | Very high | 88 Ų | 88 | 41.9 Ų | 41.9 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.4 | 177.8 | -63.8 | -31.2 | 0 | 0 | 0 | 112.3 | D214 Q218 D247 N248 | D214-D216 PolarHBondContact O-N 3.3Å; D214-D216 WeakPolarHBondContact OD1-CA 3.22Å; D214-D216 PolarHBondContact OD1-N 3.45Å; D216-Q218 HydrophobicContact CB-CG 4Å; D216-Q218 PolarHBondContact O-N 3.21Å; D216-D247 WeakPolarHBondContact O-CB 3.38Å; D216-N248 WeakPolarHBondContact CA-ND2 3.5Å; D216-N248 PolarHBondContact O-N 3.16Å |
| 217 | K | 89.9 | Confident | 91.4 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 52% | 0.517 | 23% | 0.227 | S | C | . | . | trans | 58.4 | 23.2 | -170 | -62.7 | -177.2 | -171.4 | 166.5 | 0 | 113.6 | D214 K215 S219 N248 | D214-K217 WeakPolarHBondContact O-CA 3.32Å; D214-K217 PolarHBondContact O-N 2.85Å; D214-K217 PolarHBondContact OD1-N 3.02Å; D214-K217 VanDerWaalsContact OD1-N 3.17Å; K215-K217 PolarHBondContact O-N 3.07Å; K217-S219 PolarHBondContact O-N 2.85Å; K217-N248 WeakPolarHBondContact CD-OD1 3.38Å; K217-N248 WeakPolarHBondContact CE-OD1 3.19Å; K217-N248 VanDerWaalsContact CG-OD1 3.3Å; K217-N248 WeakPolarHBondContact CG-OD1 3.46Å | ||
| 218 | Q | 91.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | trans | -74.8 | 116.9 | 172.5 | -59.6 | -178.4 | 2.1 | 0 | 0 | 109.1 | C213 D214 D216 H222 D247 | C213-Q218 VanDerWaalsContact CA-O 3.28Å; C213-Q218 WeakPolarHBondContact CA-O 3.41Å; D214-Q218 PolarHBondContact N-O 2.85Å; D214-Q218 WeakPolarHBondContact OD1-CA 3.13Å; D214-Q218 WeakPolarHBondContact OD1-CB 3.29Å; D214-Q218 PolarHBondContact OD1-N 3.28Å; D216-Q218 HydrophobicContact CB-CG 4Å; D216-Q218 PolarHBondContact O-N 3.21Å; Q218-H222 HydrophobicContact CB-CB 4.02Å; Q218-H222 HydrophobicContact CG-CB 4.47Å; Q218-D247 HydrophobicContact CG-CB 4.04Å | ||
| 219 | S | 93.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 169.5 | 173.1 | 61.8 | 0 | 0 | 0 | 0 | 112 | K217 A221 H222 E223 F241 | K217-S219 PolarHBondContact O-N 2.85Å; S219-A221 PolarHBondContact O-N 3.28Å; S219-H222 PolarHBondContact N-ND1 2.84Å; S219-H222 WeakPolarHBondContact O-CB 2.97Å; S219-H222 PolarHBondContact O-N 3.13Å; S219-H222 PolarHBondContact OG-CE1 3.42Å; S219-H222 PolarHBondContact OG-ND1 3.09Å; S219-E223 PolarHBondContact O-N 3.41Å; S219-F241 WeakPolarHBondContact OG-CZ 3.31Å |
| 220 | G | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56 | -29.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A224 | G220-A224 VanDerWaalsContact O-CB 3.31Å; G220-A224 WeakPolarHBondContact O-CB 3.17Å; G220-A224 PolarHBondContact O-N 3.1Å |
| 221 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.9 | -33 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S219 A225 L233 L236 F241 F243 P253 | S219-A221 PolarHBondContact O-N 3.28Å; A221-A225 WeakPolarHBondContact O-CB 3.36Å; A221-A225 PolarHBondContact O-N 3.35Å; A221-L233 HydrophobicContact CB-CD2 4.36Å; A221-L236 HydrophobicContact CB-CD1 4.07Å; A221-F241 HydrophobicContact CB-CD1 3.8Å; A221-F241 HydrophobicContact CB-CE1 3.25Å; A221-F241 HydrophobicContact CB-CE2 4.4Å; A221-F241 HydrophobicContact CB-CZ 3.64Å; A221-F243 HydrophobicContact CB-CD1 3.86Å; A221-F243 HydrophobicContact CB-CE1 4.02Å; A221-P253 HydrophobicContact CB-CB 4.15Å; A221-P253 HydrophobicContact CB-CG 3.79Å |
| 222 | H | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 174.6 | -68.1 | 89 | 0 | 0 | 0 | 110.2 | Q218 S219 A225 K226 A245 N251 P253 | Q218-H222 HydrophobicContact CB-CB 4.02Å; Q218-H222 HydrophobicContact CG-CB 4.47Å; S219-H222 PolarHBondContact N-ND1 2.84Å; S219-H222 WeakPolarHBondContact O-CB 2.97Å; S219-H222 PolarHBondContact O-N 3.13Å; S219-H222 PolarHBondContact OG-CE1 3.42Å; S219-H222 PolarHBondContact OG-ND1 3.09Å; H222-A225 PolarHBondContact O-N 3.19Å; H222-K226 VanDerWaalsContact O-CB 3.25Å; H222-K226 WeakPolarHBondContact O-CB 3.24Å; H222-K226 PolarHBondContact O-N 3.09Å; H222-A245 PolarHBondContact CE1-O 3.44Å; H222-A245 VanDerWaalsContact CE1-O 3.28Å; H222-A245 PolarHBondContact NE2-O 3.27Å; H222-N251 PolarHBondContact NE2-O 2.91Å; H222-N251 VanDerWaalsContact NE2-O 3.08Å; H222-P253 WeakPolarHBondContact NE2-CD 3.39Å |
| 223 | E | 92.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -44 | -178.8 | -168 | 61.7 | -149.1 | 0 | 0 | 111.4 | S219 A225 K226 N227 | S219-E223 PolarHBondContact O-N 3.41Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 3.46Å; E223-K226 PolarHBondContact O-N 3.11Å; E223-K226 IonicContact OE2-NZ 2.76Å; E223-N227 PolarHBondContact O-N 3.36Å; E223-N227 VanDerWaalsContact O-N 3.13Å; E223-N227 PolarHBondContact OE1-ND2 3.29Å |
| 224 | A | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G220 G228 H229 V232 L233 | G220-A224 VanDerWaalsContact O-CB 3.31Å; G220-A224 WeakPolarHBondContact O-CB 3.17Å; G220-A224 PolarHBondContact O-N 3.1Å; A224-G228 PolarHBondContact O-N 3.49Å; A224-G228 VanDerWaalsContact O-N 3.13Å; A224-H229 HydrophobicContact CB-CB 4.47Å; A224-H229 PolarHBondContact O-N 3.5Å; A224-V232 HydrophobicContact CB-CB 4.08Å; A224-V232 HydrophobicContact CB-CG1 3.71Å; A224-L233 HydrophobicContact CB-CD2 3.8Å; A224-L233 HydrophobicContact CB-CG 4.18Å |
| 225 | A | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A221 H222 E223 N227 G228 P253 M256 A257 L268 | A221-A225 WeakPolarHBondContact O-CB 3.36Å; A221-A225 PolarHBondContact O-N 3.35Å; H222-A225 PolarHBondContact O-N 3.19Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 3.46Å; A225-N227 VanDerWaalsContact C-N 3.29Å; A225-N227 PolarHBondContact O-N 3.34Å; A225-G228 PolarHBondContact O-N 3.42Å; A225-P253 HydrophobicContact CB-CB 4.29Å; A225-P253 VanDerWaalsContact CB-O 3.31Å; A225-P253 WeakPolarHBondContact CB-O 3.01Å; A225-M256 HydrophobicContact CB-CB 4.16Å; A225-A257 HydrophobicContact CB-CB 4.05Å; A225-L268 HydrophobicContact CB-CD1 4.22Å |
| 226 | K | 92.2 | Very high | 92.6 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.5 | -37.4 | 176.4 | 179.4 | -175 | 173.7 | -170.8 | 0 | 112 | H222 E223 M256 V260 | H222-K226 VanDerWaalsContact O-CB 3.25Å; H222-K226 WeakPolarHBondContact O-CB 3.24Å; H222-K226 PolarHBondContact O-N 3.09Å; E223-K226 PolarHBondContact O-N 3.11Å; E223-K226 IonicContact OE2-NZ 2.76Å; K226-M256 HydrophobicContact CB-CB 4.29Å; K226-V260 WeakPolarHBondContact O-CG2 3.46Å |
| 227 | N | 92.3 | Very high | 92.7 | Very high | 64 Ų | 64 | 29.1 Ų | 29.1 | 34% | 0.342 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 2.3 | 179.6 | -58.6 | -27.6 | 0 | 0 | 0 | 113.3 | G193 E223 A225 H229 | G193-N227 WeakPolarHBondContact CA-ND2 3.46Å; G193-N227 PolarHBondContact O-ND2 3.14Å; E223-N227 PolarHBondContact O-N 3.36Å; E223-N227 VanDerWaalsContact O-N 3.13Å; E223-N227 PolarHBondContact OE1-ND2 3.29Å; A225-N227 VanDerWaalsContact C-N 3.29Å; A225-N227 PolarHBondContact O-N 3.34Å; N227-H229 VanDerWaalsContact CB-NE2 3.32Å; N227-H229 WeakPolarHBondContact CB-NE2 3.2Å |
| 228 | G | 92.1 | Very high | 92.8 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 21% | 0.206 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A224 A225 L230 | A224-G228 PolarHBondContact O-N 3.49Å; A224-G228 VanDerWaalsContact O-N 3.13Å; A225-G228 PolarHBondContact O-N 3.42Å; G228-L230 PolarHBondContact O-N 3.13Å; G228-L230 VanDerWaalsContact O-N 3.12Å |
| 229 | H | 93.5 | Very high | 92.7 | Very high | 51 Ų | 51 | 24.7 Ų | 24.7 | 24% | 0.236 | 12% | 0.121 | C | C | . | . | trans | -86.9 | 75.7 | -174.9 | -63.5 | -35.2 | 0 | 0 | 0 | 112.9 | G193 G195 A224 N227 K231 V232 L233 | G193-H229 PolarHBondContact O-CD2 3.22Å; G193-H229 VanDerWaalsContact O-CD2 3.31Å; G193-H229 PolarHBondContact O-NE2 3.2Å; G195-H229 WeakPolarHBondContact CA-CD2 3.15Å; G195-H229 PolarHBondContact N-CD2 3.17Å; G195-H229 VanDerWaalsContact N-CD2 3.32Å; G195-H229 PolarHBondContact N-NE2 3.22Å; A224-H229 HydrophobicContact CB-CB 4.47Å; A224-H229 PolarHBondContact O-N 3.5Å; N227-H229 VanDerWaalsContact CB-NE2 3.32Å; N227-H229 WeakPolarHBondContact CB-NE2 3.2Å; H229-K231 VanDerWaalsContact C-N 3.28Å; H229-K231 PolarHBondContact O-N 2.82Å; H229-V232 HydrophobicContact CB-CB 4.1Å; H229-V232 HydrophobicContact CB-CG2 4.04Å; H229-V232 PolarHBondContact O-N 3.42Å; H229-V232 VanDerWaalsContact O-N 3.08Å; H229-L233 PolarHBondContact O-N 2.79Å | ||
| 230 | L | 92.5 | Very high | 92.4 | Very high | 32 Ų | 32 | 26 Ų | 26 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.8 | -39.6 | -179.1 | -176.8 | 67.7 | 0 | 0 | 0 | 113.9 | G228 V232 L233 F234 M263 F267 F478 | G228-L230 PolarHBondContact O-N 3.13Å; G228-L230 VanDerWaalsContact O-N 3.12Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-V232 PolarHBondContact O-N 2.9Å; L230-L233 WeakPolarHBondContact O-CB 3.45Å; L230-L233 PolarHBondContact O-N 3.3Å; L230-F234 HydrophobicContact CD1-CE2 4.2Å; L230-F234 HydrophobicContact CD2-CE2 4.15Å; L230-F234 HydrophobicContact CG-CD2 4.13Å; L230-F234 HydrophobicContact CG-CE2 3.87Å; L230-F234 VanDerWaalsContact O-CD2 3.31Å; L230-F234 WeakPolarHBondContact O-CD2 2.97Å; L230-F234 PolarHBondContact O-N 3.29Å; L230-F234 VanDerWaalsContact O-N 3.1Å; L230-M263 HydrophobicContact CD2-CB 4.14Å; L230-F267 HydrophobicContact CD1-CB 3.57Å; L230-F267 HydrophobicContact CD1-CD1 4.45Å; L230-F267 HydrophobicContact CD1-CD2 4.14Å; L230-F267 HydrophobicContact CD1-CG 3.79Å; L230-F478 HydrophobicContact CD1-CD1 4.48Å; L230-F478 HydrophobicContact CD2-CB 3.95Å; L230-F478 HydrophobicContact CD2-CD1 4.36Å; L230-F478 HydrophobicContact CD2-CG 4.4Å |
| 231 | K | 91.6 | Very high | 92.3 | Very high | 149 Ų | 149 | 26.6 Ų | 26.6 | 65% | 0.648 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -65.8 | -35.8 | -179.9 | -67.6 | -177.2 | 179.8 | 178.4 | 0 | 112.6 | H229 L233 F234 V235 | H229-K231 VanDerWaalsContact C-N 3.28Å; H229-K231 PolarHBondContact O-N 2.82Å; K231-L233 VanDerWaalsContact C-N 3.34Å; K231-F234 WeakPolarHBondContact O-CB 3.44Å; K231-F234 PolarHBondContact O-N 3.3Å; K231-V235 PolarHBondContact O-N 3.05Å |
| 232 | V | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110 | C192 V200 A224 H229 L230 F234 V235 L236 | C192-V232 HydrophobicContact CB-CG1 4.21Å; V200-V232 HydrophobicContact CG1-CG1 4.27Å; V200-V232 HydrophobicContact CG2-CG1 4.07Å; V200-V232 HydrophobicContact CG2-CG2 4.32Å; A224-V232 HydrophobicContact CB-CB 4.08Å; A224-V232 HydrophobicContact CB-CG1 3.71Å; H229-V232 HydrophobicContact CB-CB 4.1Å; H229-V232 HydrophobicContact CB-CG2 4.04Å; H229-V232 PolarHBondContact O-N 3.42Å; H229-V232 VanDerWaalsContact O-N 3.08Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-V232 PolarHBondContact O-N 2.9Å; V232-F234 VanDerWaalsContact C-N 3.29Å; V232-F234 PolarHBondContact O-N 2.87Å; V232-V235 WeakPolarHBondContact O-CA 3.41Å; V232-V235 WeakPolarHBondContact O-CB 3.19Å; V232-V235 PolarHBondContact O-N 3.15Å; V232-L236 HydrophobicContact CG1-CD1 4.24Å; V232-L236 HydrophobicContact CG1-CG 4.36Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.25Å |
| 233 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 174.6 | -63.7 | 176.4 | 0 | 0 | 0 | 112.7 | A221 A224 H229 L230 K231 L236 S237 F243 C264 F267 L268 | A221-L233 HydrophobicContact CB-CD2 4.36Å; A224-L233 HydrophobicContact CB-CD2 3.8Å; A224-L233 HydrophobicContact CB-CG 4.18Å; H229-L233 PolarHBondContact O-N 2.79Å; L230-L233 WeakPolarHBondContact O-CB 3.45Å; L230-L233 PolarHBondContact O-N 3.3Å; K231-L233 VanDerWaalsContact C-N 3.34Å; L233-L236 HydrophobicContact CD2-CD1 4.37Å; L233-L236 PolarHBondContact O-N 2.96Å; L233-S237 WeakPolarHBondContact O-CB 3.47Å; L233-S237 PolarHBondContact O-N 3.03Å; L233-S237 PolarHBondContact O-OG 3.04Å; L233-F243 HydrophobicContact CD2-CE1 4.15Å; L233-C264 HydrophobicContact CD1-CB 4.04Å; L233-F267 HydrophobicContact CB-CD1 3.72Å; L233-F267 HydrophobicContact CB-CE1 3.53Å; L233-F267 HydrophobicContact CB-CZ 4.38Å; L233-F267 HydrophobicContact CD1-CD1 4.17Å; L233-F267 WeakPolarHBondContact O-CE1 3.12Å; L233-L268 HydrophobicContact CD1-CD1 4.46Å; L233-L268 HydrophobicContact CD1-CD2 4.3Å; L233-L268 HydrophobicContact CD1-CG 4.19Å; L233-L268 HydrophobicContact CD2-CD2 4.14Å |
| 234 | F | 91.9 | Very high | 91.8 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 170.5 | -86.7 | -75.1 | 0 | 0 | 0 | 111.6 | L230 K231 V232 S237 A238 F267 V475 F478 | L230-F234 HydrophobicContact CD1-CE2 4.2Å; L230-F234 HydrophobicContact CD2-CE2 4.15Å; L230-F234 HydrophobicContact CG-CD2 4.13Å; L230-F234 HydrophobicContact CG-CE2 3.87Å; L230-F234 VanDerWaalsContact O-CD2 3.31Å; L230-F234 WeakPolarHBondContact O-CD2 2.97Å; L230-F234 PolarHBondContact O-N 3.29Å; L230-F234 VanDerWaalsContact O-N 3.1Å; K231-F234 WeakPolarHBondContact O-CB 3.44Å; K231-F234 PolarHBondContact O-N 3.3Å; V232-F234 VanDerWaalsContact C-N 3.29Å; V232-F234 PolarHBondContact O-N 2.87Å; F234-S237 WeakPolarHBondContact CA-OG 3.2Å; F234-S237 PolarHBondContact O-N 2.96Å; F234-S237 PolarHBondContact O-OG 3.25Å; F234-A238 PolarHBondContact O-N 3.04Å; F234-F267 HydrophobicContact CD1-CD2 4.45Å; F234-F267 AromaticContact CD1-CE2 3.52Å; F234-F267 HydrophobicContact CD1-CE2 3.52Å; F234-F267 HydrophobicContact CD1-CZ 4.07Å; F234-F267 HydrophobicContact CD2-CD2 4.46Å; F234-F267 HydrophobicContact CD2-CE2 4.11Å; F234-F267 HydrophobicContact CE1-CD2 4.05Å; F234-F267 AromaticContact CE1-CE2 3.42Å; F234-F267 HydrophobicContact CE1-CE2 3.42Å; F234-F267 VanDerWaalsContact CE1-CE2 3.42Å; F234-F267 HydrophobicContact CE1-CZ 4.39Å; F234-F267 HydrophobicContact CE2-CD2 4.05Å; F234-F267 HydrophobicContact CE2-CE2 4.02Å; F234-F267 AromaticContact CG-CE2 3.87Å; F234-F267 HydrophobicContact CG-CE2 3.87Å; F234-F267 HydrophobicContact CG-CZ 4.2Å; F234-F267 AromaticContact CZ-CD2 3.82Å; F234-F267 HydrophobicContact CZ-CD2 3.82Å; F234-F267 AromaticContact CZ-CE2 3.67Å; F234-F267 HydrophobicContact CZ-CE2 3.67Å; F234-V475 HydrophobicContact CD1-CG2 4.33Å; F234-V475 HydrophobicContact CE1-CG2 3.66Å; F234-V475 HydrophobicContact CZ-CG2 3.8Å; F234-F478 HydrophobicContact CE2-CD2 4.42Å; F234-F478 AromaticContact CZ-CD2 3.7Å; F234-F478 HydrophobicContact CZ-CD2 3.7Å; F234-F478 AromaticContact CZ-CE2 3.93Å; F234-F478 HydrophobicContact CZ-CE2 3.93Å; F234-F478 HydrophobicContact CZ-CG 4.24Å |
| 235 | V | 93.2 | Very high | 91.5 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 111 | V200 A201 L204 K231 V232 S237 A238 F239 V328 | V200-V235 HydrophobicContact CB-CG1 4.47Å; V200-V235 HydrophobicContact CG1-CG1 3.95Å; A201-V235 HydrophobicContact CB-CG1 3.71Å; A201-V235 HydrophobicContact CB-CG2 4.3Å; L204-V235 HydrophobicContact CD1-CG1 3.94Å; K231-V235 PolarHBondContact O-N 3.05Å; V232-V235 WeakPolarHBondContact O-CA 3.41Å; V232-V235 WeakPolarHBondContact O-CB 3.19Å; V232-V235 PolarHBondContact O-N 3.15Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 3.46Å; V235-A238 WeakPolarHBondContact O-CB 3.35Å; V235-A238 PolarHBondContact O-N 3.27Å; V235-A238 VanDerWaalsContact O-N 3.12Å; V235-F239 HydrophobicContact CG1-CD2 4.14Å; V235-F239 HydrophobicContact CG1-CE2 4.08Å; V235-F239 WeakPolarHBondContact O-CD2 3.34Å; V235-F239 PolarHBondContact O-N 3.45Å; V235-V328 HydrophobicContact CG2-CG2 4.05Å |
| 236 | L | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 177.7 | -66.4 | 175.4 | 0 | 0 | 0 | 112.1 | F188 V200 L204 L210 A221 V232 L233 A238 F239 G240 F241 F243 | F188-L236 HydrophobicContact CE2-CD2 4.3Å; F188-L236 HydrophobicContact CZ-CD2 3.67Å; V200-L236 HydrophobicContact CG1-CD2 4.41Å; L204-L236 HydrophobicContact CD1-CD2 4.44Å; L210-L236 HydrophobicContact CD1-CD2 3.96Å; A221-L236 HydrophobicContact CB-CD1 4.07Å; V232-L236 HydrophobicContact CG1-CD1 4.24Å; V232-L236 HydrophobicContact CG1-CG 4.36Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.25Å; L233-L236 HydrophobicContact CD2-CD1 4.37Å; L233-L236 PolarHBondContact O-N 2.96Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.31Å; L236-F239 PolarHBondContact O-N 2.72Å; L236-G240 PolarHBondContact O-N 3.06Å; L236-F241 HydrophobicContact CB-CB 3.83Å; L236-F241 HydrophobicContact CB-CD2 4.5Å; L236-F241 HydrophobicContact CB-CG 4.15Å; L236-F241 HydrophobicContact CD2-CD2 4.21Å; L236-F241 WeakPolarHBondContact O-CB 3.34Å; L236-F241 PolarHBondContact O-N 3.19Å; L236-F243 HydrophobicContact CB-CE1 4.48Å; L236-F243 HydrophobicContact CB-CZ 4.42Å |
| 237 | S | 91.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 176.8 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | L233 F234 V235 F239 G240 D324 | L233-S237 WeakPolarHBondContact O-CB 3.47Å; L233-S237 PolarHBondContact O-N 3.03Å; L233-S237 PolarHBondContact O-OG 3.04Å; F234-S237 WeakPolarHBondContact CA-OG 3.2Å; F234-S237 PolarHBondContact O-N 2.96Å; F234-S237 PolarHBondContact O-OG 3.25Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-S237 PolarHBondContact O-N 3.46Å; S237-F239 VanDerWaalsContact C-N 3.32Å; S237-F239 PolarHBondContact O-N 3.49Å; S237-G240 PolarHBondContact O-N 3.18Å; S237-D324 WeakPolarHBondContact OG-CB 3.12Å; S237-D324 VanDerWaalsContact OG-CG 3.27Å; S237-D324 PolarHBondContact OG-OD2 3.04Å |
| 238 | A | 90.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F234 V235 L236 G240 D324 W325 V328 | F234-A238 PolarHBondContact O-N 3.04Å; V235-A238 WeakPolarHBondContact O-CB 3.35Å; V235-A238 PolarHBondContact O-N 3.27Å; V235-A238 VanDerWaalsContact O-N 3.12Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.31Å; A238-G240 PolarHBondContact O-N 3.02Å; A238-D324 HydrophobicContact CB-CB 4.22Å; A238-W325 HydrophobicContact CB-CB 4.41Å; A238-V328 HydrophobicContact CB-CB 4.07Å; A238-V328 HydrophobicContact CB-CG2 3.57Å |
| 239 | F | 90.4 | Very high | 91.4 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -79.4 | -5.6 | 176.6 | -74.6 | -91.4 | 0 | 0 | 0 | 113.3 | L204 R205 L210 V235 L236 S237 R321 V328 F329 | L204-F239 HydrophobicContact CB-CD1 3.9Å; L204-F239 HydrophobicContact CB-CD2 4.04Å; L204-F239 HydrophobicContact CB-CE1 3.69Å; L204-F239 HydrophobicContact CB-CE2 3.84Å; L204-F239 HydrophobicContact CB-CG 4.07Å; L204-F239 HydrophobicContact CB-CZ 3.66Å; L204-F239 HydrophobicContact CD1-CB 4.13Å; L204-F239 HydrophobicContact CD1-CD1 4.4Å; L204-F239 HydrophobicContact CD1-CD2 3.38Å; L204-F239 HydrophobicContact CD1-CE2 3.8Å; L204-F239 HydrophobicContact CD1-CG 3.72Å; L204-F239 HydrophobicContact CD1-CZ 4.47Å; L204-F239 HydrophobicContact CG-CD2 4.3Å; L204-F239 HydrophobicContact CG-CE2 4.48Å; L204-F239 HydrophobicContact CG-CG 4.36Å; R205-F239 HydrophobicContact CG-CZ 4.23Å; L210-F239 HydrophobicContact CD1-CB 4.44Å; L210-F239 HydrophobicContact CD2-CB 4.37Å; V235-F239 HydrophobicContact CG1-CD2 4.14Å; V235-F239 HydrophobicContact CG1-CE2 4.08Å; V235-F239 WeakPolarHBondContact O-CD2 3.34Å; V235-F239 PolarHBondContact O-N 3.45Å; L236-F239 PolarHBondContact O-N 2.72Å; S237-F239 VanDerWaalsContact C-N 3.32Å; S237-F239 PolarHBondContact O-N 3.49Å; F239-R321 PolarHBondContact O-NH2 3.23Å; F239-V328 HydrophobicContact CE2-CG1 4.3Å; F239-F329 HydrophobicContact CE1-CE2 4.49Å; F239-F329 HydrophobicContact CE1-CZ 4.17Å; F239-F329 HydrophobicContact CE2-CE2 4.24Å; F239-F329 HydrophobicContact CE2-CZ 4.43Å; F239-F329 AromaticContact CZ-CE2 3.94Å; F239-F329 HydrophobicContact CZ-CE2 3.94Å; F239-F329 AromaticContact CZ-CZ 3.71Å; F239-F329 HydrophobicContact CZ-CZ 3.71Å |
| 240 | G | 87.3 | Confident | 91.4 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 32 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L236 S237 A238 | L236-G240 PolarHBondContact O-N 3.06Å; S237-G240 PolarHBondContact O-N 3.18Å; A238-G240 PolarHBondContact O-N 3.02Å |
| 241 | F | 89.6 | Confident | 91.4 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | trans | -60.2 | 134.8 | 178.9 | -173.3 | -82.7 | 0 | 0 | 0 | 112 | L210 S219 A221 L236 F243 | L210-F241 HydrophobicContact CD1-CB 4.07Å; L210-F241 HydrophobicContact CD1-CD2 3.61Å; L210-F241 HydrophobicContact CD1-CG 4.33Å; L210-F241 HydrophobicContact CD2-CB 4.05Å; L210-F241 HydrophobicContact CD2-CD2 4.4Å; L210-F241 HydrophobicContact CG-CB 4.15Å; L210-F241 HydrophobicContact CG-CD2 3.62Å; L210-F241 HydrophobicContact CG-CE2 4.48Å; L210-F241 HydrophobicContact CG-CG 4.33Å; L210-F241 WeakPolarHBondContact O-CE2 3.23Å; S219-F241 WeakPolarHBondContact OG-CZ 3.31Å; A221-F241 HydrophobicContact CB-CD1 3.8Å; A221-F241 HydrophobicContact CB-CE1 3.25Å; A221-F241 HydrophobicContact CB-CE2 4.4Å; A221-F241 HydrophobicContact CB-CZ 3.64Å; L236-F241 HydrophobicContact CB-CB 3.83Å; L236-F241 HydrophobicContact CB-CD2 4.5Å; L236-F241 HydrophobicContact CB-CG 4.15Å; L236-F241 HydrophobicContact CD2-CD2 4.21Å; L236-F241 WeakPolarHBondContact O-CB 3.34Å; L236-F241 PolarHBondContact O-N 3.19Å; F241-F243 HydrophobicContact CB-CZ 4.48Å; F241-F243 AromaticContact CD1-CD1 3.67Å; F241-F243 HydrophobicContact CD1-CD1 3.67Å; F241-F243 AromaticContact CD1-CE1 3.83Å; F241-F243 HydrophobicContact CD1-CE1 3.83Å; F241-F243 HydrophobicContact CD1-CG 4.11Å; F241-F243 HydrophobicContact CD1-CZ 4.38Å; F241-F243 HydrophobicContact CE1-CD1 4.12Å; F241-F243 PolarHBondContact O-N 2.95Å | ||
| 242 | N | 88.7 | Confident | 91.5 | Very high | 98 Ų | 98 | 30.4 Ų | 30.4 | 52% | 0.524 | 18% | 0.176 | S | C | . | . | trans | -84.3 | 101.1 | 174.4 | -177.6 | 8.8 | 0 | 0 | 0 | 111.4 | N244 A245 | N242-N244 PolarHBondContact O-N 2.96Å; N242-N244 PolarHBondContact OD1-N 3.34Å; N242-N244 VanDerWaalsContact OD1-N 3.12Å; N242-A245 PolarHBondContact O-N 3.44Å | ||
| 243 | F | 90 | Very high | 91.4 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -0.1 | -179.6 | -63.5 | -70.6 | 0 | 0 | 0 | 115.4 | A221 L233 L236 F241 P253 F267 L268 R271 C273 | A221-F243 HydrophobicContact CB-CD1 3.86Å; A221-F243 HydrophobicContact CB-CE1 4.02Å; L233-F243 HydrophobicContact CD2-CE1 4.15Å; L236-F243 HydrophobicContact CB-CE1 4.48Å; L236-F243 HydrophobicContact CB-CZ 4.42Å; F241-F243 HydrophobicContact CB-CZ 4.48Å; F241-F243 AromaticContact CD1-CD1 3.67Å; F241-F243 HydrophobicContact CD1-CD1 3.67Å; F241-F243 AromaticContact CD1-CE1 3.83Å; F241-F243 HydrophobicContact CD1-CE1 3.83Å; F241-F243 HydrophobicContact CD1-CG 4.11Å; F241-F243 HydrophobicContact CD1-CZ 4.38Å; F241-F243 HydrophobicContact CE1-CD1 4.12Å; F241-F243 PolarHBondContact O-N 2.95Å; F243-P253 VanDerWaalsContact O-CD 3.24Å; F243-P253 WeakPolarHBondContact O-CD 3.42Å; F243-F267 HydrophobicContact CZ-CE1 4.1Å; F243-L268 HydrophobicContact CB-CD2 4.31Å; F243-L268 HydrophobicContact CD1-CD2 3.26Å; F243-L268 HydrophobicContact CE1-CD2 3.63Å; F243-L268 HydrophobicContact CG-CD2 3.84Å; F243-L268 HydrophobicContact CZ-CD2 4.46Å; F243-R271 HydrophobicContact CD2-CB 3.69Å; F243-R271 HydrophobicContact CE2-CB 3.73Å; F243-R271 HydrophobicContact CE2-CG 4.07Å; F243-C273 HydrophobicContact CB-CB 3.95Å; F243-C273 PolarHBondContact O-SG 3.48Å |
| 244 | N | 89.6 | Confident | 91.4 | Very high | 69 Ų | 69 | 30.4 Ų | 30.4 | 37% | 0.369 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11.5 | 176.9 | -67.3 | -49.3 | 0 | 0 | 0 | 113.8 | N242 G272 C273 D274 | N242-N244 PolarHBondContact O-N 2.96Å; N242-N244 PolarHBondContact OD1-N 3.34Å; N242-N244 VanDerWaalsContact OD1-N 3.12Å; N244-G272 PolarHBondContact ND2-O 2.75Å; N244-G272 PolarHBondContact OD1-O 3Å; N244-C273 WeakPolarHBondContact OD1-CA 3.44Å; N244-D274 PolarHBondContact OD1-N 3.18Å |
| 245 | A | 89.8 | Confident | 91.6 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | trans | -59.1 | 143.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | H222 N242 P253 | H222-A245 PolarHBondContact CE1-O 3.44Å; H222-A245 VanDerWaalsContact CE1-O 3.28Å; H222-A245 PolarHBondContact NE2-O 3.27Å; N242-A245 PolarHBondContact O-N 3.44Å; A245-P253 WeakPolarHBondContact O-CD 3.43Å | ||
| 246 | L | 92.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 30 Ų | 30 | 44% | 0.44 | 17% | 0.174 | S | C | . | . | trans | -117.5 | 137.1 | 178.5 | -57.3 | 178.3 | 0 | 0 | 0 | 109.9 | N251 N252 V277 | L246-N251 WeakPolarHBondContact CA-O 3.37Å; L246-N252 HydrophobicContact CD2-CB 3.74Å; L246-V277 HydrophobicContact CD2-CG1 4.01Å | ||
| 247 | D | 93 | Very high | 91.6 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | trans | -77.9 | 179.1 | 169.9 | 72.6 | 4.9 | 0 | 0 | 0 | 111.6 | D216 Q218 D249 G250 N251 M256 | D216-D247 WeakPolarHBondContact O-CB 3.38Å; Q218-D247 HydrophobicContact CG-CB 4.04Å; D247-D249 PolarHBondContact O-N 2.94Å; D247-D249 WeakPolarHBondContact OD1-CA 3.25Å; D247-D249 WeakPolarHBondContact OD1-CB 3.29Å; D247-D249 PolarHBondContact OD1-N 3.4Å; D247-G250 PolarHBondContact O-N 2.97Å; D247-G250 PolarHBondContact OD1-N 3.2Å; D247-N251 PolarHBondContact N-O 2.92Å; D247-N251 WeakPolarHBondContact OD1-CA 3.46Å; D247-N251 VanDerWaalsContact OD1-CB 3.31Å; D247-N251 WeakPolarHBondContact OD1-CB 3.36Å; D247-N251 PolarHBondContact OD1-N 3.38Å; D247-N251 PolarHBondContact OD1-ND2 3.46Å; D247-N251 WeakPolarHBondContact OD2-CB 3.41Å; D247-N251 PolarHBondContact OD2-ND2 3.34Å; D247-M256 VanDerWaalsContact OD2-CE 3.23Å; D247-M256 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 248 | N | 92.2 | Very high | 91.7 | Very high | 86 Ų | 86 | 29.6 Ų | 29.6 | 46% | 0.46 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.5 | 178.6 | -75.8 | -19.7 | 0 | 0 | 0 | 113.5 | K215 D216 K217 G250 | K215-N248 PolarHBondContact O-ND2 2.97Å; K215-N248 VanDerWaalsContact O-ND2 3.14Å; D216-N248 WeakPolarHBondContact CA-ND2 3.5Å; D216-N248 PolarHBondContact O-N 3.16Å; K217-N248 WeakPolarHBondContact CD-OD1 3.38Å; K217-N248 WeakPolarHBondContact CE-OD1 3.19Å; K217-N248 VanDerWaalsContact CG-OD1 3.3Å; K217-N248 WeakPolarHBondContact CG-OD1 3.46Å; N248-G250 PolarHBondContact O-N 3.19Å |
| 249 | D | 91.6 | Very high | 91.7 | Very high | 94 Ų | 94 | 33.7 Ų | 33.7 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.8 | 175.5 | -71.6 | -25.3 | 0 | 0 | 0 | 112.3 | D247 N251 N279 A280 | D247-D249 PolarHBondContact O-N 2.94Å; D247-D249 WeakPolarHBondContact OD1-CA 3.25Å; D247-D249 WeakPolarHBondContact OD1-CB 3.29Å; D247-D249 PolarHBondContact OD1-N 3.4Å; D249-N251 VanDerWaalsContact CB-ND2 3.26Å; D249-N251 WeakPolarHBondContact CB-ND2 3.33Å; D249-N251 PolarHBondContact O-N 2.78Å; D249-N279 WeakPolarHBondContact O-CB 3.31Å; D249-A280 VanDerWaalsContact O-CB 3.26Å; D249-A280 WeakPolarHBondContact O-CB 3.38Å; D249-A280 PolarHBondContact O-N 3.46Å |
| 250 | G | 92 | Very high | 91.6 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 19% | 0.186 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 70.4 | 15.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D247 N248 N279 | D247-G250 PolarHBondContact O-N 2.97Å; D247-G250 PolarHBondContact OD1-N 3.2Å; N248-G250 PolarHBondContact O-N 3.19Å; G250-N279 WeakPolarHBondContact O-CA 3.44Å |
| 251 | N | 93.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.053 | 19% | 0.191 | C | C | . | . | trans | -76.4 | 136.7 | 170.8 | -55.5 | -57.5 | 0 | 0 | 0 | 109.3 | H222 L246 D247 D249 H255 M256 N279 | H222-N251 PolarHBondContact NE2-O 2.91Å; H222-N251 VanDerWaalsContact NE2-O 3.08Å; L246-N251 WeakPolarHBondContact CA-O 3.37Å; D247-N251 PolarHBondContact N-O 2.92Å; D247-N251 WeakPolarHBondContact OD1-CA 3.46Å; D247-N251 VanDerWaalsContact OD1-CB 3.31Å; D247-N251 WeakPolarHBondContact OD1-CB 3.36Å; D247-N251 PolarHBondContact OD1-N 3.38Å; D247-N251 PolarHBondContact OD1-ND2 3.46Å; D247-N251 WeakPolarHBondContact OD2-CB 3.41Å; D247-N251 PolarHBondContact OD2-ND2 3.34Å; D249-N251 VanDerWaalsContact CB-ND2 3.26Å; D249-N251 WeakPolarHBondContact CB-ND2 3.33Å; D249-N251 PolarHBondContact O-N 2.78Å; N251-H255 HydrophobicContact CB-CB 3.78Å; N251-M256 HydrophobicContact CB-CE 4.16Å; N251-N279 WeakPolarHBondContact OD1-CB 3.22Å; N251-N279 PolarHBondContact OD1-ND2 3.35Å | ||
| 252 | N | 92.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -91.7 | 170.9 | 161.4 | 69.1 | 20.4 | 0 | 0 | 0 | 110.4 | L246 L254 H255 D274 | L246-N252 HydrophobicContact CD2-CB 3.74Å; N252-L254 PolarHBondContact O-N 3.08Å; N252-L254 WeakPolarHBondContact OD1-CA 3.31Å; N252-L254 WeakPolarHBondContact OD1-CB 3.4Å; N252-L254 PolarHBondContact OD1-N 2.77Å; N252-H255 PolarHBondContact N-ND1 3.37Å; N252-H255 WeakPolarHBondContact O-CB 3.48Å; N252-H255 PolarHBondContact O-N 3.36Å; N252-H255 PolarHBondContact OD1-N 3.24Å; N252-H255 VanDerWaalsContact OD1-N 3.1Å; N252-H255 PolarHBondContact OD1-ND1 2.91Å; N252-D274 PolarHBondContact ND2-O 3.28Å | ||
| 253 | P | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.1 | -25.7 | 178.7 | -27.4 | 36.3 | 0 | 0 | 0 | 113.7 | A221 H222 A225 F243 A245 M256 A257 L268 | A221-P253 HydrophobicContact CB-CB 4.15Å; A221-P253 HydrophobicContact CB-CG 3.79Å; H222-P253 WeakPolarHBondContact NE2-CD 3.39Å; A225-P253 HydrophobicContact CB-CB 4.29Å; A225-P253 VanDerWaalsContact CB-O 3.31Å; A225-P253 WeakPolarHBondContact CB-O 3.01Å; F243-P253 VanDerWaalsContact O-CD 3.24Å; F243-P253 WeakPolarHBondContact O-CD 3.42Å; A245-P253 WeakPolarHBondContact O-CD 3.43Å; P253-M256 PolarHBondContact O-N 3.47Å; P253-A257 WeakPolarHBondContact O-CB 3.45Å; P253-A257 PolarHBondContact O-N 2.93Å; P253-L268 HydrophobicContact CB-CD1 3.95Å; P253-L268 HydrophobicContact CB-CD2 4.22Å |
| 254 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.4 | -32.3 | 177.4 | -160.8 | 69.3 | 0 | 0 | 0 | 112.6 | N252 M256 A258 C265 L268 A275 P285 L301 | N252-L254 PolarHBondContact O-N 3.08Å; N252-L254 WeakPolarHBondContact OD1-CA 3.31Å; N252-L254 WeakPolarHBondContact OD1-CB 3.4Å; N252-L254 PolarHBondContact OD1-N 2.77Å; L254-M256 VanDerWaalsContact C-N 3.33Å; L254-A258 VanDerWaalsContact O-CB 3.28Å; L254-A258 WeakPolarHBondContact O-CB 3.25Å; L254-A258 PolarHBondContact O-N 3.18Å; L254-C265 HydrophobicContact CD1-CB 4.22Å; L254-C265 WeakPolarHBondContact CD1-O 3.37Å; L254-L268 HydrophobicContact CD1-CB 3.8Å; L254-L268 HydrophobicContact CD1-CD1 4.27Å; L254-A275 HydrophobicContact CD2-CB 3.61Å; L254-P285 HydrophobicContact CB-CG 4.36Å; L254-P285 HydrophobicContact CD2-CB 4.28Å; L254-P285 HydrophobicContact CD2-CG 4.16Å; L254-P285 HydrophobicContact CG-CB 4.17Å; L254-P285 HydrophobicContact CG-CG 4.36Å; L254-L301 HydrophobicContact CD1-CD2 3.81Å; L254-L301 HydrophobicContact CD2-CD2 3.51Å; L254-L301 HydrophobicContact CG-CD2 3.56Å |
| 255 | H | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 173.5 | -67.2 | 80 | 0 | 0 | 0 | 111.2 | N251 N252 V277 K283 P285 I288 | N251-H255 HydrophobicContact CB-CB 3.78Å; N252-H255 PolarHBondContact N-ND1 3.37Å; N252-H255 WeakPolarHBondContact O-CB 3.48Å; N252-H255 PolarHBondContact O-N 3.36Å; N252-H255 PolarHBondContact OD1-N 3.24Å; N252-H255 VanDerWaalsContact OD1-N 3.1Å; N252-H255 PolarHBondContact OD1-ND1 2.91Å; H255-V277 PolarHBondContact CE1-O 2.94Å; H255-V277 VanDerWaalsContact CE1-O 3.29Å; H255-V277 PolarHBondContact NE2-O 3.3Å; H255-K283 PolarHBondContact NE2-O 3.42Å; H255-P285 WeakPolarHBondContact NE2-CD 3.42Å; H255-I288 HydrophobicContact CB-CD1 3.96Å |
| 256 | M | 93.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.4 | -46.1 | 175.8 | -61.2 | -56 | -176.9 | 0 | 0 | 111.3 | A225 K226 D247 N251 P253 L254 A258 K259 | A225-M256 HydrophobicContact CB-CB 4.16Å; K226-M256 HydrophobicContact CB-CB 4.29Å; D247-M256 VanDerWaalsContact OD2-CE 3.23Å; D247-M256 WeakPolarHBondContact OD2-CE 3.39Å; N251-M256 HydrophobicContact CB-CE 4.16Å; P253-M256 PolarHBondContact O-N 3.47Å; L254-M256 VanDerWaalsContact C-N 3.33Å; M256-A258 PolarHBondContact O-N 2.87Å; M256-K259 PolarHBondContact O-N 3.13Å |
| 257 | A | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A225 P253 K259 V260 D261 C264 C265 L268 | A225-A257 HydrophobicContact CB-CB 4.05Å; P253-A257 WeakPolarHBondContact O-CB 3.45Å; P253-A257 PolarHBondContact O-N 2.93Å; A257-K259 PolarHBondContact O-N 3.03Å; A257-V260 PolarHBondContact O-N 3.03Å; A257-D261 PolarHBondContact O-N 2.74Å; A257-C264 HydrophobicContact CB-CB 3.91Å; A257-C265 VanDerWaalsContact C-SG 3.5Å; A257-C265 PolarHBondContact O-SG 3.39Å; A257-L268 HydrophobicContact CB-CD1 3.79Å |
| 258 | A | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.5 | -30.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L254 M256 P285 I288 A289 L301 | L254-A258 VanDerWaalsContact O-CB 3.28Å; L254-A258 WeakPolarHBondContact O-CB 3.25Å; L254-A258 PolarHBondContact O-N 3.18Å; M256-A258 PolarHBondContact O-N 2.87Å; A258-P285 HydrophobicContact CB-CB 4.36Å; A258-P285 VanDerWaalsContact CB-O 3.28Å; A258-P285 WeakPolarHBondContact CB-O 3.38Å; A258-I288 HydrophobicContact CB-CB 4.5Å; A258-I288 HydrophobicContact CB-CG2 4.42Å; A258-A289 HydrophobicContact CB-CB 4.11Å; A258-L301 HydrophobicContact CB-CD1 3.9Å |
| 259 | K | 90.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 22 Ų | 22 | 37% | 0.374 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -74.7 | -31.3 | 177.4 | -59.3 | -176.8 | 177.8 | 177.6 | 0 | 112.3 | M256 A257 I288 E292 K294 | M256-K259 PolarHBondContact O-N 3.13Å; A257-K259 PolarHBondContact O-N 3.03Å; K259-I288 HydrophobicContact CD-CG2 4.23Å; K259-I288 HydrophobicContact CG-CG2 3.47Å; K259-I288 VanDerWaalsContact CG-CG2 3.47Å; K259-E292 HydrophobicContact CB-CG 4.29Å; K259-E292 HydrophobicContact CG-CG 4.08Å; K259-K294 WeakPolarHBondContact O-CE 3.26Å; K259-K294 PolarHBondContact O-NZ 3.42Å |
| 260 | V | 88.7 | Confident | 91.2 | Very high | 59 Ų | 59 | 18.7 Ų | 18.7 | 36% | 0.358 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -108.1 | -65.4 | -164.7 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | K226 A257 K294 | K226-V260 WeakPolarHBondContact O-CG2 3.46Å; A257-V260 PolarHBondContact O-N 3.03Å; V260-K294 PolarHBondContact O-NZ 3.34Å |
| 261 | D | 88.5 | Confident | 90.9 | Very high | 48 Ų | 48 | 19.5 Ų | 19.5 | 26% | 0.257 | 10% | 0.095 | S | C | . | . | trans | -137.4 | 135.7 | -164.2 | -177.4 | 39.7 | 0 | 0 | 0 | 114.9 | A257 M263 C264 C265 C297 | A257-D261 PolarHBondContact O-N 2.74Å; D261-M263 PolarHBondContact OD1-N 2.92Å; D261-M263 WeakPolarHBondContact OD2-CB 3.35Å; D261-M263 PolarHBondContact OD2-N 2.89Å; D261-C264 HydrophobicContact CB-CB 4.29Å; D261-C264 PolarHBondContact OD2-N 3.43Å; D261-C264 PolarHBondContact OD2-SG 3.19Å; D261-C265 PolarHBondContact O-N 2.84Å; D261-C265 PolarHBondContact O-SG 3.05Å; D261-C297 VanDerWaalsContact C-SG 3.55Å | ||
| 262 | E | 91.3 | Very high | 90.4 | Very high | 50 Ų | 50 | 20 Ų | 20 | 23% | 0.234 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 179.1 | 177.8 | -166.9 | 174.7 | 0 | 0 | 111.3 | C265 K266 L296 C297 E300 | E262-C265 WeakPolarHBondContact O-CB 3.4Å; E262-C265 PolarHBondContact O-N 3.14Å; E262-K266 PolarHBondContact O-N 3.32Å; E262-L296 HydrophobicContact CB-CB 4.32Å; E262-L296 HydrophobicContact CG-CB 4.06Å; E262-L296 WeakPolarHBondContact OE2-CB 3.42Å; E262-L296 VanDerWaalsContact OE2-CD1 3.29Å; E262-L296 WeakPolarHBondContact OE2-CD1 3.29Å; E262-C297 WeakPolarHBondContact CA-SG 3.43Å; E262-C297 PolarHBondContact N-SG 3.08Å; E262-E300 HydrophobicContact CG-CG 3.69Å |
| 263 | M | 90.6 | Very high | 90.2 | Very high | 34 Ų | 34 | 20 Ų | 20 | 17% | 0.167 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.5 | -38.8 | -174.7 | -55 | -57.4 | -55.4 | 0 | 0 | 110.9 | L230 D261 K266 F267 F478 | L230-M263 HydrophobicContact CD2-CB 4.14Å; D261-M263 PolarHBondContact OD1-N 2.92Å; D261-M263 WeakPolarHBondContact OD2-CB 3.35Å; D261-M263 PolarHBondContact OD2-N 2.89Å; M263-K266 PolarHBondContact O-N 3.45Å; M263-F267 WeakPolarHBondContact O-CB 3.22Å; M263-F267 PolarHBondContact O-N 3.11Å; M263-F478 HydrophobicContact CE-CB 3.85Å; M263-F478 HydrophobicContact CE-CD1 3.76Å; M263-F478 HydrophobicContact CE-CG 4.24Å; M263-F478 VanDerWaalsContact CE-O 3.23Å; M263-F478 WeakPolarHBondContact CE-O 3.27Å |
| 264 | C | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 171.6 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | L233 A257 D261 K266 F267 L268 | L233-C264 HydrophobicContact CD1-CB 4.04Å; A257-C264 HydrophobicContact CB-CB 3.91Å; D261-C264 HydrophobicContact CB-CB 4.29Å; D261-C264 PolarHBondContact OD2-N 3.43Å; D261-C264 PolarHBondContact OD2-SG 3.19Å; C264-K266 PolarHBondContact O-N 2.91Å; C264-F267 PolarHBondContact O-N 2.92Å; C264-L268 WeakPolarHBondContact O-CB 3.14Å; C264-L268 WeakPolarHBondContact O-CG 3.43Å; C264-L268 PolarHBondContact O-N 2.95Å |
| 265 | C | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.3 | -66.4 | 0 | 0 | 0 | 0 | 112 | L254 A257 D261 E262 F267 G269 L301 L304 | L254-C265 HydrophobicContact CD1-CB 4.22Å; L254-C265 WeakPolarHBondContact CD1-O 3.37Å; A257-C265 VanDerWaalsContact C-SG 3.5Å; A257-C265 PolarHBondContact O-SG 3.39Å; D261-C265 PolarHBondContact O-N 2.84Å; D261-C265 PolarHBondContact O-SG 3.05Å; E262-C265 WeakPolarHBondContact O-CB 3.4Å; E262-C265 PolarHBondContact O-N 3.14Å; C265-F267 VanDerWaalsContact C-N 3.31Å; C265-F267 PolarHBondContact O-N 3.42Å; C265-G269 PolarHBondContact O-N 2.88Å; C265-G269 VanDerWaalsContact O-N 3.11Å; C265-L301 HydrophobicContact CB-CD2 4.24Å; C265-L301 HydrophobicContact CB-CG 4.42Å; C265-L304 WeakPolarHBondContact O-CD1 3.33Å |
| 266 | K | 89.6 | Confident | 89.1 | Confident | 44 Ų | 44 | 28.3 Ų | 28.3 | 19% | 0.191 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.7 | -178.1 | -175.1 | 172.1 | -168.2 | 0 | 111.4 | E262 M263 C264 Q270 A477 F478 | E262-K266 PolarHBondContact O-N 3.32Å; M263-K266 PolarHBondContact O-N 3.45Å; C264-K266 PolarHBondContact O-N 2.91Å; K266-Q270 WeakPolarHBondContact O-CB 3.48Å; K266-Q270 VanDerWaalsContact O-CG 3.27Å; K266-Q270 WeakPolarHBondContact O-CG 3.5Å; K266-Q270 PolarHBondContact O-N 2.92Å; K266-Q270 VanDerWaalsContact O-N 3.12Å; K266-A477 PolarHBondContact NZ-O 3.44Å; K266-F478 HydrophobicContact CB-CE1 4.4Å; K266-F478 HydrophobicContact CD-CE1 4.16Å; K266-F478 HydrophobicContact CG-CE1 4.12Å |
| 267 | F | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -55 | -179.1 | 178.5 | -92.7 | 0 | 0 | 0 | 111.7 | L230 L233 F234 F243 M263 C264 C265 G269 Q270 R271 F478 | L230-F267 HydrophobicContact CD1-CB 3.57Å; L230-F267 HydrophobicContact CD1-CD1 4.45Å; L230-F267 HydrophobicContact CD1-CD2 4.14Å; L230-F267 HydrophobicContact CD1-CG 3.79Å; L233-F267 HydrophobicContact CB-CD1 3.72Å; L233-F267 HydrophobicContact CB-CE1 3.53Å; L233-F267 HydrophobicContact CB-CZ 4.38Å; L233-F267 HydrophobicContact CD1-CD1 4.17Å; L233-F267 WeakPolarHBondContact O-CE1 3.12Å; F234-F267 HydrophobicContact CD1-CD2 4.45Å; F234-F267 AromaticContact CD1-CE2 3.52Å; F234-F267 HydrophobicContact CD1-CE2 3.52Å; F234-F267 HydrophobicContact CD1-CZ 4.07Å; F234-F267 HydrophobicContact CD2-CD2 4.46Å; F234-F267 HydrophobicContact CD2-CE2 4.11Å; F234-F267 HydrophobicContact CE1-CD2 4.05Å; F234-F267 AromaticContact CE1-CE2 3.42Å; F234-F267 HydrophobicContact CE1-CE2 3.42Å; F234-F267 VanDerWaalsContact CE1-CE2 3.42Å; F234-F267 HydrophobicContact CE1-CZ 4.39Å; F234-F267 HydrophobicContact CE2-CD2 4.05Å; F234-F267 HydrophobicContact CE2-CE2 4.02Å; F234-F267 AromaticContact CG-CE2 3.87Å; F234-F267 HydrophobicContact CG-CE2 3.87Å; F234-F267 HydrophobicContact CG-CZ 4.2Å; F234-F267 AromaticContact CZ-CD2 3.82Å; F234-F267 HydrophobicContact CZ-CD2 3.82Å; F234-F267 AromaticContact CZ-CE2 3.67Å; F234-F267 HydrophobicContact CZ-CE2 3.67Å; F243-F267 HydrophobicContact CZ-CE1 4.1Å; M263-F267 WeakPolarHBondContact O-CB 3.22Å; M263-F267 PolarHBondContact O-N 3.11Å; C264-F267 PolarHBondContact O-N 2.92Å; C265-F267 VanDerWaalsContact C-N 3.31Å; C265-F267 PolarHBondContact O-N 3.42Å; F267-G269 VanDerWaalsContact C-N 3.32Å; F267-G269 PolarHBondContact O-N 3.25Å; F267-Q270 WeakPolarHBondContact O-CB 3.31Å; F267-Q270 PolarHBondContact O-N 3.42Å; F267-Q270 VanDerWaalsContact O-N 3.09Å; F267-R271 HydrophobicContact CD1-CG 4.37Å; F267-R271 HydrophobicContact CE1-CG 3.88Å; F267-R271 HydrophobicContact CE2-CG 4.26Å; F267-R271 HydrophobicContact CZ-CG 3.83Å; F267-R271 WeakPolarHBondContact O-CG 3.44Å; F267-R271 PolarHBondContact O-N 3.14Å; F267-R271 VanDerWaalsContact O-N 3.07Å; F267-F478 HydrophobicContact CB-CD1 4.38Å; F267-F478 HydrophobicContact CB-CE1 3.63Å; F267-F478 HydrophobicContact CB-CZ 4.07Å; F267-F478 HydrophobicContact CD2-CE1 4.04Å; F267-F478 HydrophobicContact CD2-CE2 4.21Å; F267-F478 AromaticContact CD2-CZ 3.72Å; F267-F478 HydrophobicContact CD2-CZ 3.72Å; F267-F478 HydrophobicContact CG-CE1 4.36Å; F267-F478 HydrophobicContact CG-CZ 4.39Å |
| 268 | L | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | -178.7 | -72.1 | 170.5 | 0 | 0 | 0 | 111.9 | A225 L233 F243 P253 L254 A257 C264 Q270 R271 G272 C273 | A225-L268 HydrophobicContact CB-CD1 4.22Å; L233-L268 HydrophobicContact CD1-CD1 4.46Å; L233-L268 HydrophobicContact CD1-CD2 4.3Å; L233-L268 HydrophobicContact CD1-CG 4.19Å; L233-L268 HydrophobicContact CD2-CD2 4.14Å; F243-L268 HydrophobicContact CB-CD2 4.31Å; F243-L268 HydrophobicContact CD1-CD2 3.26Å; F243-L268 HydrophobicContact CE1-CD2 3.63Å; F243-L268 HydrophobicContact CG-CD2 3.84Å; F243-L268 HydrophobicContact CZ-CD2 4.46Å; P253-L268 HydrophobicContact CB-CD1 3.95Å; P253-L268 HydrophobicContact CB-CD2 4.22Å; L254-L268 HydrophobicContact CD1-CB 3.8Å; L254-L268 HydrophobicContact CD1-CD1 4.27Å; A257-L268 HydrophobicContact CB-CD1 3.79Å; C264-L268 WeakPolarHBondContact O-CB 3.14Å; C264-L268 WeakPolarHBondContact O-CG 3.43Å; C264-L268 PolarHBondContact O-N 2.95Å; L268-Q270 VanDerWaalsContact C-N 3.35Å; L268-Q270 PolarHBondContact O-N 3.06Å; L268-R271 CarbonylContact O-C 3.35Å; L268-R271 PolarHBondContact O-N 2.97Å; L268-R271 VanDerWaalsContact O-N 3.15Å; L268-G272 PolarHBondContact O-N 3.32Å; L268-C273 HydrophobicContact CB-CB 3.98Å; L268-C273 WeakPolarHBondContact O-CB 3.2Å; L268-C273 PolarHBondContact O-N 3.29Å |
| 269 | G | 86.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C265 F267 R271 G272 | C265-G269 PolarHBondContact O-N 2.88Å; C265-G269 VanDerWaalsContact O-N 3.11Å; F267-G269 VanDerWaalsContact C-N 3.32Å; F267-G269 PolarHBondContact O-N 3.25Å; G269-R271 VanDerWaalsContact C-N 3.28Å; G269-R271 PolarHBondContact O-N 3.14Å; G269-G272 PolarHBondContact O-N 3.43Å |
| 270 | Q | 85.2 | Confident | 88.7 | Confident | 25 Ų | 25 | 36 Ų | 36 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -28.6 | 173.9 | -77.8 | -177 | 0.8 | 0 | 0 | 113.1 | K266 F267 L268 G272 N472 Y473 | K266-Q270 WeakPolarHBondContact O-CB 3.48Å; K266-Q270 VanDerWaalsContact O-CG 3.27Å; K266-Q270 WeakPolarHBondContact O-CG 3.5Å; K266-Q270 PolarHBondContact O-N 2.92Å; K266-Q270 VanDerWaalsContact O-N 3.12Å; F267-Q270 WeakPolarHBondContact O-CB 3.31Å; F267-Q270 PolarHBondContact O-N 3.42Å; F267-Q270 VanDerWaalsContact O-N 3.09Å; L268-Q270 VanDerWaalsContact C-N 3.35Å; L268-Q270 PolarHBondContact O-N 3.06Å; Q270-G272 VanDerWaalsContact C-N 3.26Å; Q270-N472 PolarHBondContact NE2-O 3.25Å; Q270-N472 PolarHBondContact OE1-O 3.15Å; Q270-Y473 HydrophobicContact CB-CD1 3.86Å; Q270-Y473 HydrophobicContact CB-CE1 3.79Å; Q270-Y473 HydrophobicContact CG-CD1 4.17Å; Q270-Y473 HydrophobicContact CG-CE1 4.03Å; Q270-Y473 WeakPolarHBondContact O-CE1 3.47Å |
| 271 | R | 86.2 | Confident | 88.7 | Confident | 35 Ų | 35 | 39.4 Ų | 39.4 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.7 | 175.2 | -58.7 | -55 | -179.3 | -98.4 | 12.3 | 113.5 | F243 F267 L268 G269 D324 Y473 | F243-R271 HydrophobicContact CD2-CB 3.69Å; F243-R271 HydrophobicContact CE2-CB 3.73Å; F243-R271 HydrophobicContact CE2-CG 4.07Å; F267-R271 HydrophobicContact CD1-CG 4.37Å; F267-R271 HydrophobicContact CE1-CG 3.88Å; F267-R271 HydrophobicContact CE2-CG 4.26Å; F267-R271 HydrophobicContact CZ-CG 3.83Å; F267-R271 WeakPolarHBondContact O-CG 3.44Å; F267-R271 PolarHBondContact O-N 3.14Å; F267-R271 VanDerWaalsContact O-N 3.07Å; L268-R271 CarbonylContact O-C 3.35Å; L268-R271 PolarHBondContact O-N 2.97Å; L268-R271 VanDerWaalsContact O-N 3.15Å; G269-R271 VanDerWaalsContact C-N 3.28Å; G269-R271 PolarHBondContact O-N 3.14Å; R271-D324 IonicContact CZ-OD1 3.51Å; R271-D324 IonicContact CZ-OD2 3.68Å; R271-D324 VanDerWaalsContact CZ-OD2 3.23Å; R271-D324 IonicContact NE-OD1 2.63Å; R271-D324 IonicContact NE-OD2 2.66Å; R271-D324 PolarHBondContact NE-OD2 3.43Å; R271-D324 VanDerWaalsContact NH2-CG 3.3Å; R271-D324 IonicContact NH2-OD1 3.58Å; R271-D324 PolarHBondContact NH2-OD1 3.22Å; R271-D324 IonicContact NH2-OD2 3.61Å; R271-D324 PolarHBondContact NH2-OD2 3.13Å; R271-Y473 PolarHBondContact NH2-O 3.23Å |
| 272 | G | 82.5 | Confident | 88.8 | Confident | 19 Ų | 19 | 39 Ų | 39 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 23 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N244 L268 G269 Q270 D274 | N244-G272 PolarHBondContact ND2-O 2.75Å; N244-G272 PolarHBondContact OD1-O 3Å; L268-G272 PolarHBondContact O-N 3.32Å; G269-G272 PolarHBondContact O-N 3.43Å; Q270-G272 VanDerWaalsContact C-N 3.26Å; G272-D274 PolarHBondContact O-N 3.04Å |
| 273 | C | 87.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | trans | -65.9 | 124 | 165.3 | -168.2 | 0 | 0 | 0 | 0 | 109.7 | F243 N244 L268 A275 | F243-C273 HydrophobicContact CB-CB 3.95Å; F243-C273 PolarHBondContact O-SG 3.48Å; N244-C273 WeakPolarHBondContact OD1-CA 3.44Å; L268-C273 HydrophobicContact CB-CB 3.98Å; L268-C273 WeakPolarHBondContact O-CB 3.2Å; L268-C273 PolarHBondContact O-N 3.29Å; C273-A275 PolarHBondContact O-N 3.37Å | ||
| 274 | D | 85.9 | Confident | 89 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 34% | 0.337 | 22% | 0.222 | S | C | . | . | trans | -72.7 | 114.8 | -174.5 | -169.4 | -3.4 | 0 | 0 | 0 | 112 | N244 N252 G272 K276 V277 | N244-D274 PolarHBondContact OD1-N 3.18Å; N252-D274 PolarHBondContact ND2-O 3.28Å; G272-D274 PolarHBondContact O-N 3.04Å; D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 3.42Å; D274-K276 WeakPolarHBondContact OD1-CB 3.44Å; D274-K276 PolarHBondContact OD1-N 3.32Å; D274-V277 HydrophobicContact CB-CG2 3.92Å | ||
| 275 | A | 87.9 | Confident | 89 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -6.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L254 C273 L304 E305 | L254-A275 HydrophobicContact CD2-CB 3.61Å; C273-A275 PolarHBondContact O-N 3.37Å; A275-L304 HydrophobicContact CB-CB 4.2Å; A275-E305 HydrophobicContact CB-CG 4.2Å |
| 276 | K | 86.4 | Confident | 89.1 | Confident | 104 Ų | 104 | 43.6 Ų | 43.6 | 45% | 0.452 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -6.9 | -176.6 | -62.5 | -177.2 | -179.7 | -177.9 | 0 | 114.1 | D274 L284 E305 | D274-K276 VanDerWaalsContact C-N 3.27Å; D274-K276 PolarHBondContact O-N 3.42Å; D274-K276 WeakPolarHBondContact OD1-CB 3.44Å; D274-K276 PolarHBondContact OD1-N 3.32Å; K276-L284 WeakPolarHBondContact O-CD2 3.14Å; K276-E305 VanDerWaalsContact CE-O 3.22Å; K276-E305 WeakPolarHBondContact CE-O 3.24Å |
| 277 | V | 88.2 | Confident | 89.3 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | trans | -66 | 134 | 175 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | L246 H255 D274 | L246-V277 HydrophobicContact CD2-CG1 4.01Å; H255-V277 PolarHBondContact CE1-O 2.94Å; H255-V277 VanDerWaalsContact CE1-O 3.29Å; H255-V277 PolarHBondContact NE2-O 3.3Å; D274-V277 HydrophobicContact CB-CG2 3.92Å | ||
| 278 | K | 90.6 | Very high | 89.4 | Confident | 132 Ų | 132 | 44.7 Ų | 44.7 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | trans | -101.5 | 137.9 | 172.2 | -63.9 | 178.8 | -178.4 | -179.3 | 0 | 108.3 | K283 L284 | K278-K283 WeakPolarHBondContact CA-O 3.37Å; K278-L284 HydrophobicContact CG-CD2 3.93Å; K278-L284 HydrophobicContact CG-CG 4.1Å | ||
| 279 | N | 91.8 | Very high | 89.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -73.3 | 178.2 | 171.1 | 68.5 | 2.4 | 0 | 0 | 0 | 111.9 | D249 G250 N251 N281 G282 K283 | D249-N279 WeakPolarHBondContact O-CB 3.31Å; G250-N279 WeakPolarHBondContact O-CA 3.44Å; N251-N279 WeakPolarHBondContact OD1-CB 3.22Å; N251-N279 PolarHBondContact OD1-ND2 3.35Å; N279-N281 PolarHBondContact O-N 3.44Å; N279-N281 VanDerWaalsContact O-N 3.15Å; N279-N281 PolarHBondContact OD1-N 2.87Å; N279-G282 WeakPolarHBondContact O-CA 3.09Å; N279-G282 PolarHBondContact O-N 3.12Å; N279-G282 PolarHBondContact OD1-N 3.43Å; N279-K283 PolarHBondContact N-O 2.65Å; N279-K283 VanDerWaalsContact N-O 3.14Å; N279-K283 WeakPolarHBondContact OD1-CA 3.49Å; N279-K283 WeakPolarHBondContact OD1-CB 3.32Å; N279-K283 PolarHBondContact OD1-N 3.05Å; N279-K283 PolarHBondContact OD1-O 3.21Å | ||
| 280 | A | 91.4 | Very high | 89.8 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 66% | 0.661 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | D249 G282 | D249-A280 VanDerWaalsContact O-CB 3.26Å; D249-A280 WeakPolarHBondContact O-CB 3.38Å; D249-A280 PolarHBondContact O-N 3.46Å; A280-G282 PolarHBondContact O-N 3.25Å |
| 281 | N | 89.6 | Confident | 90.2 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 3.4 | 174.8 | -63.1 | -31.3 | 0 | 0 | 0 | 113.6 | N279 K283 | N279-N281 PolarHBondContact O-N 3.44Å; N279-N281 VanDerWaalsContact O-N 3.15Å; N279-N281 PolarHBondContact OD1-N 2.87Å; N281-K283 HydrophobicContact CB-CG 4.32Å; N281-K283 PolarHBondContact O-N 3.03Å |
| 282 | G | 90.4 | Very high | 90.5 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 70.5 | 9.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | N279 A280 | N279-G282 WeakPolarHBondContact O-CA 3.09Å; N279-G282 PolarHBondContact O-N 3.12Å; N279-G282 PolarHBondContact OD1-N 3.43Å; A280-G282 PolarHBondContact O-N 3.25Å |
| 283 | K | 92.2 | Very high | 90.9 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | trans | -89.3 | 134.5 | -177.9 | -63.3 | -171.1 | 178.9 | -169.5 | 0 | 110.6 | H255 K278 N279 N281 N287 I288 D291 | H255-K283 PolarHBondContact NE2-O 3.42Å; K278-K283 WeakPolarHBondContact CA-O 3.37Å; N279-K283 PolarHBondContact N-O 2.65Å; N279-K283 VanDerWaalsContact N-O 3.14Å; N279-K283 WeakPolarHBondContact OD1-CA 3.49Å; N279-K283 WeakPolarHBondContact OD1-CB 3.32Å; N279-K283 PolarHBondContact OD1-N 3.05Å; N279-K283 PolarHBondContact OD1-O 3.21Å; N281-K283 HydrophobicContact CB-CG 4.32Å; N281-K283 PolarHBondContact O-N 3.03Å; K283-N287 HydrophobicContact CB-CB 4.36Å; K283-I288 HydrophobicContact CB-CG1 4.16Å; K283-I288 HydrophobicContact CD-CG1 4.44Å; K283-D291 IonicContact NZ-OD2 3.52Å; K283-D291 PolarHBondContact NZ-OD2 3.01Å | ||
| 284 | L | 92.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | trans | -76.4 | 157.4 | 166.1 | -71.2 | 159.7 | 0 | 0 | 0 | 109.9 | K276 K278 R286 N287 I288 | K276-L284 WeakPolarHBondContact O-CD2 3.14Å; K278-L284 HydrophobicContact CG-CD2 3.93Å; K278-L284 HydrophobicContact CG-CG 4.1Å; L284-R286 PolarHBondContact O-N 3.26Å; L284-R286 VanDerWaalsContact O-N 3.11Å; L284-N287 WeakPolarHBondContact O-CB 3.25Å; L284-N287 PolarHBondContact O-N 3.47Å; L284-I288 PolarHBondContact O-N 3.06Å | ||
| 285 | P | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -52.7 | -36.6 | 172.6 | -24.8 | 32.1 | 0 | 0 | 0 | 112.4 | L254 H255 A258 N287 I288 A289 L301 | L254-P285 HydrophobicContact CB-CG 4.36Å; L254-P285 HydrophobicContact CD2-CB 4.28Å; L254-P285 HydrophobicContact CD2-CG 4.16Å; L254-P285 HydrophobicContact CG-CB 4.17Å; L254-P285 HydrophobicContact CG-CG 4.36Å; H255-P285 WeakPolarHBondContact NE2-CD 3.42Å; A258-P285 HydrophobicContact CB-CB 4.36Å; A258-P285 VanDerWaalsContact CB-O 3.28Å; A258-P285 WeakPolarHBondContact CB-O 3.38Å; P285-N287 VanDerWaalsContact C-N 3.35Å; P285-N287 PolarHBondContact O-N 3.33Å; P285-I288 PolarHBondContact O-N 3.45Å; P285-A289 PolarHBondContact O-N 3.32Å; P285-L301 HydrophobicContact CB-CD1 4.19Å; P285-L301 HydrophobicContact CB-CD2 4.18Å |
| 286 | R | 92.9 | Very high | 91.4 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 176.9 | -172.5 | -171.1 | 68.8 | -155.2 | -4.4 | 112.3 | L284 I288 A289 V290 L301 E305 | L284-R286 PolarHBondContact O-N 3.26Å; L284-R286 VanDerWaalsContact O-N 3.11Å; R286-I288 VanDerWaalsContact C-N 3.34Å; R286-A289 PolarHBondContact O-N 2.97Å; R286-V290 WeakPolarHBondContact O-CG2 3.26Å; R286-V290 PolarHBondContact O-N 2.84Å; R286-L301 HydrophobicContact CB-CB 4.15Å; R286-L301 HydrophobicContact CG-CB 4.4Å; R286-E305 WeakPolarHBondContact CB-OE1 3.46Å; R286-E305 WeakPolarHBondContact CD-OE1 3.2Å; R286-E305 WeakPolarHBondContact CD-OE2 3.42Å; R286-E305 IonicContact CZ-OE1 3.75Å; R286-E305 IonicContact CZ-OE2 3.27Å; R286-E305 IonicContact NE-OE1 3.8Å; R286-E305 PolarHBondContact NE-OE1 2.82Å; R286-E305 IonicContact NE-OE2 3.55Å; R286-E305 VanDerWaalsContact NH1-CD 3.28Å; R286-E305 IonicContact NH1-OE1 2.87Å; R286-E305 PolarHBondContact NH1-OE1 3.15Å; R286-E305 IonicContact NH1-OE2 3.26Å; R286-E305 PolarHBondContact NH1-OE2 2.82Å |
| 287 | N | 93.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 65.3 Ų | 65.3 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 179.2 | -63.8 | -3.8 | 0 | 0 | 0 | 109.6 | K283 L284 P285 A289 V290 D291 | K283-N287 HydrophobicContact CB-CB 4.36Å; L284-N287 WeakPolarHBondContact O-CB 3.25Å; L284-N287 PolarHBondContact O-N 3.47Å; P285-N287 VanDerWaalsContact C-N 3.35Å; P285-N287 PolarHBondContact O-N 3.33Å; N287-A289 VanDerWaalsContact C-N 3.34Å; N287-A289 PolarHBondContact O-N 3.29Å; N287-V290 WeakPolarHBondContact O-CB 3.5Å; N287-V290 PolarHBondContact O-N 3.12Å; N287-D291 PolarHBondContact O-N 3.42Å |
| 288 | I | 92.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 173.2 | -61.4 | 177.1 | 0 | 0 | 0 | 111.1 | H255 A258 K259 K283 L284 P285 R286 V290 D291 E292 | H255-I288 HydrophobicContact CB-CD1 3.96Å; A258-I288 HydrophobicContact CB-CB 4.5Å; A258-I288 HydrophobicContact CB-CG2 4.42Å; K259-I288 HydrophobicContact CD-CG2 4.23Å; K259-I288 HydrophobicContact CG-CG2 3.47Å; K259-I288 VanDerWaalsContact CG-CG2 3.47Å; K283-I288 HydrophobicContact CB-CG1 4.16Å; K283-I288 HydrophobicContact CD-CG1 4.44Å; L284-I288 PolarHBondContact O-N 3.06Å; P285-I288 PolarHBondContact O-N 3.45Å; R286-I288 VanDerWaalsContact C-N 3.34Å; I288-V290 PolarHBondContact O-N 3.18Å; I288-D291 PolarHBondContact O-N 3.31Å; I288-E292 HydrophobicContact CG2-CG 4.35Å; I288-E292 WeakPolarHBondContact O-CB 3.17Å; I288-E292 WeakPolarHBondContact O-CG 3.33Å; I288-E292 PolarHBondContact O-N 3.13Å |
| 289 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -30.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A258 P285 R286 N287 G293 K294 C297 A298 L301 | A258-A289 HydrophobicContact CB-CB 4.11Å; P285-A289 PolarHBondContact O-N 3.32Å; R286-A289 PolarHBondContact O-N 2.97Å; N287-A289 VanDerWaalsContact C-N 3.34Å; N287-A289 PolarHBondContact O-N 3.29Å; A289-G293 PolarHBondContact O-N 3.38Å; A289-K294 HydrophobicContact CB-CB 4.45Å; A289-K294 WeakPolarHBondContact O-CA 3.48Å; A289-K294 PolarHBondContact O-N 2.79Å; A289-C297 HydrophobicContact CB-CB 3.99Å; A289-A298 HydrophobicContact CB-CB 4.15Å; A289-L301 HydrophobicContact CB-CD1 3.85Å |
| 290 | V | 93.7 | Very high | 91.6 | Very high | 90 Ų | 90 | 64.9 Ų | 64.9 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.4 | -44.6 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | R286 N287 I288 E292 G293 A298 | R286-V290 WeakPolarHBondContact O-CG2 3.26Å; R286-V290 PolarHBondContact O-N 2.84Å; N287-V290 WeakPolarHBondContact O-CB 3.5Å; N287-V290 PolarHBondContact O-N 3.12Å; I288-V290 PolarHBondContact O-N 3.18Å; V290-E292 VanDerWaalsContact C-N 3.33Å; V290-E292 PolarHBondContact O-N 3.33Å; V290-G293 PolarHBondContact O-N 2.98Å; V290-A298 HydrophobicContact CG2-CB 4.08Å |
| 291 | D | 92.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 178.3 | -65 | -10.7 | 0 | 0 | 0 | 111.2 | K283 N287 I288 G293 | K283-D291 IonicContact NZ-OD2 3.52Å; K283-D291 PolarHBondContact NZ-OD2 3.01Å; N287-D291 PolarHBondContact O-N 3.42Å; I288-D291 PolarHBondContact O-N 3.31Å; D291-G293 PolarHBondContact O-N 3Å |
| 292 | E | 92.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.9 | 176.3 | -64.6 | -66.7 | 156.5 | 0 | 0 | 113.8 | K259 I288 V290 K294 | K259-E292 HydrophobicContact CB-CG 4.29Å; K259-E292 HydrophobicContact CG-CG 4.08Å; I288-E292 HydrophobicContact CG2-CG 4.35Å; I288-E292 WeakPolarHBondContact O-CB 3.17Å; I288-E292 WeakPolarHBondContact O-CG 3.33Å; I288-E292 PolarHBondContact O-N 3.13Å; V290-E292 VanDerWaalsContact C-N 3.33Å; V290-E292 PolarHBondContact O-N 3.33Å; E292-K294 VanDerWaalsContact C-N 3.28Å; E292-K294 HydrophobicContact CB-CG 4.04Å; E292-K294 PolarHBondContact O-N 2.97Å |
| 293 | G | 91.1 | Very high | 91.3 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 14.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A289 V290 D291 K295 | A289-G293 PolarHBondContact O-N 3.38Å; V290-G293 PolarHBondContact O-N 2.98Å; D291-G293 PolarHBondContact O-N 3Å; G293-K295 PolarHBondContact O-N 3.17Å |
| 294 | K | 91.5 | Very high | 90.9 | Very high | 81 Ų | 81 | 62.4 Ų | 62.4 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | trans | -82.5 | 74.3 | -177.3 | -60.1 | -72.8 | 175.2 | 145.4 | 0 | 112.1 | K259 V260 A289 E292 L296 C297 A298 | K259-K294 WeakPolarHBondContact O-CE 3.26Å; K259-K294 PolarHBondContact O-NZ 3.42Å; V260-K294 PolarHBondContact O-NZ 3.34Å; A289-K294 HydrophobicContact CB-CB 4.45Å; A289-K294 WeakPolarHBondContact O-CA 3.48Å; A289-K294 PolarHBondContact O-N 2.79Å; E292-K294 VanDerWaalsContact C-N 3.28Å; E292-K294 HydrophobicContact CB-CG 4.04Å; E292-K294 PolarHBondContact O-N 2.97Å; K294-L296 VanDerWaalsContact C-N 3.28Å; K294-L296 PolarHBondContact O-N 3.06Å; K294-L296 VanDerWaalsContact O-N 3.13Å; K294-C297 HydrophobicContact CB-CB 3.93Å; K294-C297 PolarHBondContact O-N 3.28Å; K294-A298 PolarHBondContact O-N 2.84Å | ||
| 295 | K | 91.4 | Very high | 90.4 | Very high | 169 Ų | 169 | 62.3 Ų | 62.3 | 74% | 0.735 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.5 | -35.5 | -176.3 | -65.7 | -179.6 | -177.9 | 175.7 | 0 | 115.1 | G293 K299 | G293-K295 PolarHBondContact O-N 3.17Å; K295-K299 WeakPolarHBondContact O-CG 3.37Å; K295-K299 PolarHBondContact O-N 3.43Å |
| 296 | L | 90.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -77.9 | -43.8 | -178.7 | -61.5 | 176.4 | 0 | 0 | 0 | 111.8 | E262 K294 A298 K299 E300 | E262-L296 HydrophobicContact CB-CB 4.32Å; E262-L296 HydrophobicContact CG-CB 4.06Å; E262-L296 WeakPolarHBondContact OE2-CB 3.42Å; E262-L296 VanDerWaalsContact OE2-CD1 3.29Å; E262-L296 WeakPolarHBondContact OE2-CD1 3.29Å; K294-L296 VanDerWaalsContact C-N 3.28Å; K294-L296 PolarHBondContact O-N 3.06Å; K294-L296 VanDerWaalsContact O-N 3.13Å; L296-A298 VanDerWaalsContact C-N 3.29Å; L296-A298 PolarHBondContact O-N 3.1Å; L296-K299 WeakPolarHBondContact O-CB 3.47Å; L296-K299 PolarHBondContact O-N 3.4Å; L296-E300 PolarHBondContact O-N 3.4Å |
| 297 | C | 90.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.4 | -47.2 | 171.6 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | D261 E262 A289 K294 K299 E300 L301 | D261-C297 VanDerWaalsContact C-SG 3.55Å; E262-C297 WeakPolarHBondContact CA-SG 3.43Å; E262-C297 PolarHBondContact N-SG 3.08Å; A289-C297 HydrophobicContact CB-CB 3.99Å; K294-C297 HydrophobicContact CB-CB 3.93Å; K294-C297 PolarHBondContact O-N 3.28Å; C297-K299 VanDerWaalsContact C-N 3.28Å; C297-K299 PolarHBondContact O-N 2.93Å; C297-E300 PolarHBondContact O-N 2.99Å; C297-L301 WeakPolarHBondContact O-CB 3.35Å; C297-L301 VanDerWaalsContact O-CG 3.25Å; C297-L301 WeakPolarHBondContact O-CG 3.4Å; C297-L301 PolarHBondContact O-N 3.48Å |
| 298 | A | 91.1 | Very high | 87.2 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A289 V290 K294 L296 R302 | A289-A298 HydrophobicContact CB-CB 4.15Å; V290-A298 HydrophobicContact CG2-CB 4.08Å; K294-A298 PolarHBondContact O-N 2.84Å; L296-A298 VanDerWaalsContact C-N 3.29Å; L296-A298 PolarHBondContact O-N 3.1Å; A298-R302 VanDerWaalsContact O-CB 3.3Å; A298-R302 WeakPolarHBondContact O-CB 3.18Å; A298-R302 PolarHBondContact O-N 3.08Å |
| 299 | K | 90.4 | Very high | 85.4 | Confident | 129 Ų | 129 | 74 Ų | 74 | 56% | 0.561 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.4 | -43.6 | 175.2 | -75.8 | 175.9 | -176.5 | 179.6 | 0 | 112.1 | K295 L296 C297 K303 | K295-K299 WeakPolarHBondContact O-CG 3.37Å; K295-K299 PolarHBondContact O-N 3.43Å; L296-K299 WeakPolarHBondContact O-CB 3.47Å; L296-K299 PolarHBondContact O-N 3.4Å; C297-K299 VanDerWaalsContact C-N 3.28Å; C297-K299 PolarHBondContact O-N 2.93Å; K299-K303 WeakPolarHBondContact O-CG 3.24Å; K299-K303 PolarHBondContact O-N 2.94Å |
| 300 | E | 88.3 | Confident | 83.3 | Confident | 30 Ų | 30 | 82 Ų | 82 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 177.1 | -68.2 | -54.6 | 133.5 | 0 | 0 | 111.1 | E262 L296 C297 R302 K303 L304 | E262-E300 HydrophobicContact CG-CG 3.69Å; L296-E300 PolarHBondContact O-N 3.4Å; C297-E300 PolarHBondContact O-N 2.99Å; E300-R302 VanDerWaalsContact C-N 3.34Å; E300-R302 PolarHBondContact O-N 3.36Å; E300-K303 WeakPolarHBondContact O-CA 3.43Å; E300-K303 WeakPolarHBondContact O-CB 3.28Å; E300-K303 PolarHBondContact O-N 3.32Å; E300-K303 IonicContact OE1-NZ 3.06Å; E300-K303 PolarHBondContact OE1-NZ 3.25Å; E300-K303 IonicContact OE2-NZ 2.92Å; E300-L304 WeakPolarHBondContact O-CG 3.16Å; E300-L304 PolarHBondContact O-N 2.88Å |
| 301 | L | 89.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 174.8 | -67.8 | 169.3 | 0 | 0 | 0 | 112.1 | L254 A258 C265 P285 R286 A289 C297 K303 L304 E305 | L254-L301 HydrophobicContact CD1-CD2 3.81Å; L254-L301 HydrophobicContact CD2-CD2 3.51Å; L254-L301 HydrophobicContact CG-CD2 3.56Å; A258-L301 HydrophobicContact CB-CD1 3.9Å; C265-L301 HydrophobicContact CB-CD2 4.24Å; C265-L301 HydrophobicContact CB-CG 4.42Å; P285-L301 HydrophobicContact CB-CD1 4.19Å; P285-L301 HydrophobicContact CB-CD2 4.18Å; R286-L301 HydrophobicContact CB-CB 4.15Å; R286-L301 HydrophobicContact CG-CB 4.4Å; A289-L301 HydrophobicContact CB-CD1 3.85Å; C297-L301 WeakPolarHBondContact O-CB 3.35Å; C297-L301 VanDerWaalsContact O-CG 3.25Å; C297-L301 WeakPolarHBondContact O-CG 3.4Å; C297-L301 PolarHBondContact O-N 3.48Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 3.32Å; L301-L304 HydrophobicContact CD2-CD1 4.28Å; L301-L304 PolarHBondContact O-N 2.85Å; L301-L304 VanDerWaalsContact O-N 3.11Å; L301-E305 WeakPolarHBondContact O-CG 3.49Å; L301-E305 PolarHBondContact O-N 2.78Å |
| 302 | R | 89.1 | Confident | 79.4 | Confident | 141 Ų | 141 | 79.1 Ų | 79.1 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 173.2 | 179.7 | -178.8 | -84.2 | -177.6 | -4.4 | 112.7 | A298 E300 R306 | A298-R302 VanDerWaalsContact O-CB 3.3Å; A298-R302 WeakPolarHBondContact O-CB 3.18Å; A298-R302 PolarHBondContact O-N 3.08Å; E300-R302 VanDerWaalsContact C-N 3.34Å; E300-R302 PolarHBondContact O-N 3.36Å; R302-R306 WeakPolarHBondContact O-CG 3.3Å |
| 303 | K | 86.1 | Confident | 77.4 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 173.8 | -67.5 | 170.2 | -171.8 | 169.5 | 0 | 110.3 | K299 E300 L301 R306 V307 | K299-K303 WeakPolarHBondContact O-CG 3.24Å; K299-K303 PolarHBondContact O-N 2.94Å; E300-K303 WeakPolarHBondContact O-CA 3.43Å; E300-K303 WeakPolarHBondContact O-CB 3.28Å; E300-K303 PolarHBondContact O-N 3.32Å; E300-K303 IonicContact OE1-NZ 3.06Å; E300-K303 PolarHBondContact OE1-NZ 3.25Å; E300-K303 IonicContact OE2-NZ 2.92Å; L301-K303 VanDerWaalsContact C-N 3.27Å; L301-K303 PolarHBondContact O-N 3.32Å; K303-R306 WeakPolarHBondContact O-CB 3.33Å; K303-R306 PolarHBondContact O-N 3.28Å; K303-V307 WeakPolarHBondContact O-CG2 3.42Å; K303-V307 PolarHBondContact O-N 3.28Å |
| 304 | L | 83.9 | Confident | 75.4 | Confident | 25 Ų | 25 | 86.4 Ų | 86.4 | 13% | 0.131 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | -180 | -68.4 | 169.6 | 0 | 0 | 0 | 112.6 | C265 A275 E300 L301 R306 V307 | C265-L304 WeakPolarHBondContact O-CD1 3.33Å; A275-L304 HydrophobicContact CB-CB 4.2Å; E300-L304 WeakPolarHBondContact O-CG 3.16Å; E300-L304 PolarHBondContact O-N 2.88Å; L301-L304 HydrophobicContact CD2-CD1 4.28Å; L301-L304 PolarHBondContact O-N 2.85Å; L301-L304 VanDerWaalsContact O-N 3.11Å; L304-R306 PolarHBondContact O-N 2.94Å; L304-V307 WeakPolarHBondContact O-CB 3.47Å; L304-V307 PolarHBondContact O-N 2.67Å; L304-V307 VanDerWaalsContact O-N 3.08Å |
| 305 | E | 82.6 | Confident | 73.6 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.1 | -30.1 | 176.4 | -70.9 | 167 | 161.2 | 0 | 0 | 113.6 | A275 K276 R286 L301 | A275-E305 HydrophobicContact CB-CG 4.2Å; K276-E305 VanDerWaalsContact CE-O 3.22Å; K276-E305 WeakPolarHBondContact CE-O 3.24Å; R286-E305 WeakPolarHBondContact CB-OE1 3.46Å; R286-E305 WeakPolarHBondContact CD-OE1 3.2Å; R286-E305 WeakPolarHBondContact CD-OE2 3.42Å; R286-E305 IonicContact CZ-OE1 3.75Å; R286-E305 IonicContact CZ-OE2 3.27Å; R286-E305 IonicContact NE-OE1 3.8Å; R286-E305 PolarHBondContact NE-OE1 2.82Å; R286-E305 IonicContact NE-OE2 3.55Å; R286-E305 VanDerWaalsContact NH1-CD 3.28Å; R286-E305 IonicContact NH1-OE1 2.87Å; R286-E305 PolarHBondContact NH1-OE1 3.15Å; R286-E305 IonicContact NH1-OE2 3.26Å; R286-E305 PolarHBondContact NH1-OE2 2.82Å; L301-E305 WeakPolarHBondContact O-CG 3.49Å; L301-E305 PolarHBondContact O-N 2.78Å |
| 306 | R | 80.9 | Confident | 72.6 | Confident | 192 Ų | 192 | 80 Ų | 80 | 73% | 0.725 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.4 | -27.1 | 176.9 | -68.7 | 173.3 | -178.9 | -171.8 | -2.7 | 112.2 | R302 K303 L304 T308 | R302-R306 WeakPolarHBondContact O-CG 3.3Å; K303-R306 WeakPolarHBondContact O-CB 3.33Å; K303-R306 PolarHBondContact O-N 3.28Å; L304-R306 PolarHBondContact O-N 2.94Å; R306-T308 PolarHBondContact O-N 3.19Å |
| 307 | V | 71.7 | Confident | 71.8 | Confident | 61 Ų | 61 | 79.6 Ų | 79.6 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -72.3 | 117.4 | 174.3 | -175 | 0 | 0 | 0 | 0 | 106.9 | K303 L304 I312 | K303-V307 WeakPolarHBondContact O-CG2 3.42Å; K303-V307 PolarHBondContact O-N 3.28Å; L304-V307 WeakPolarHBondContact O-CB 3.47Å; L304-V307 PolarHBondContact O-N 2.67Å; L304-V307 VanDerWaalsContact O-N 3.08Å; V307-I312 HydrophobicContact CB-CD1 4.47Å; V307-I312 HydrophobicContact CG1-CD1 3.93Å; V307-I312 HydrophobicContact CG1-CG1 3.51Å |
| 308 | T | 57 | Low | 71.6 | Confident | 71 Ų | 71 | 83.4 Ų | 83.4 | 44% | 0.436 | 41% | 0.406 | S | S | . | . | trans | -74.9 | 147.2 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 110 | R306 K310 T311 I312 | R306-T308 PolarHBondContact O-N 3.19Å; T308-K310 PolarHBondContact O-N 2.88Å; T308-T311 PolarHBondContact N-OG1 2.9Å; T308-T311 PolarHBondContact O-N 3.07Å; T308-T311 PolarHBondContact O-OG1 3.47Å; T308-T311 PolarHBondContact OG1-OG1 3.36Å; T308-I312 PolarHBondContact O-N 3.16Å | ||
| 309 | S | 54.8 | Low | 71.3 | Confident | 60 Ų | 60 | 82.7 Ų | 82.7 | 42% | 0.42 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.7 | -27.1 | 178.5 | -24.2 | 0 | 0 | 0 | 0 | 112.4 | K313 | S309-K313 WeakPolarHBondContact O-CB 3.43Å; S309-K313 VanDerWaalsContact O-CG 3.31Å; S309-K313 WeakPolarHBondContact O-CG 3.26Å; S309-K313 PolarHBondContact O-N 3.28Å |
| 310 | K | 49.7 | Very low | 71.1 | Confident | 167 Ų | 167 | 77.1 Ų | 77.1 | 73% | 0.726 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.7 | -39.1 | 173.3 | -66.9 | -175.5 | 178.2 | -178.1 | 0 | 113.5 | T308 I312 N314 | T308-K310 PolarHBondContact O-N 2.88Å; K310-I312 VanDerWaalsContact C-N 3.34Å; K310-N314 PolarHBondContact O-N 3.12Å |
| 311 | T | 52.8 | Low | 71.1 | Confident | 82 Ų | 82 | 81.1 Ų | 81.1 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.3 | -30 | 179.4 | 8 | 0 | 0 | 0 | 0 | 112 | T308 A315 | T308-T311 PolarHBondContact N-OG1 2.9Å; T308-T311 PolarHBondContact O-N 3.07Å; T308-T311 PolarHBondContact O-OG1 3.47Å; T308-T311 PolarHBondContact OG1-OG1 3.36Å; T311-A315 WeakPolarHBondContact O-CB 3.3Å; T311-A315 PolarHBondContact O-N 3.36Å |
| 312 | I | 52.8 | Low | 71 | Confident | 42 Ų | 42 | 81 Ų | 81 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -77.5 | -43.8 | 175.8 | -55.4 | 177.5 | 0 | 0 | 0 | 111 | V307 T308 K310 N314 A315 | V307-I312 HydrophobicContact CB-CD1 4.47Å; V307-I312 HydrophobicContact CG1-CD1 3.93Å; V307-I312 HydrophobicContact CG1-CG1 3.51Å; T308-I312 PolarHBondContact O-N 3.16Å; K310-I312 VanDerWaalsContact C-N 3.34Å; I312-N314 PolarHBondContact O-N 3.05Å; I312-A315 WeakPolarHBondContact O-CB 3.36Å; I312-A315 PolarHBondContact O-N 2.99Å |
| 313 | K | 48.8 | Very low | 71.1 | Confident | 171 Ų | 171 | 75 Ų | 75 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.4 | -34.5 | 176.6 | -78.6 | -177.3 | 179.3 | -170.8 | 0 | 112.6 | S309 | S309-K313 WeakPolarHBondContact O-CB 3.43Å; S309-K313 VanDerWaalsContact O-CG 3.31Å; S309-K313 WeakPolarHBondContact O-CG 3.26Å; S309-K313 PolarHBondContact O-N 3.28Å |
| 314 | N | 49.1 | Very low | 71.2 | Confident | 141 Ų | 141 | 69.8 Ų | 69.8 | 75% | 0.754 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.8 | 177.4 | -70.2 | 2.2 | 0 | 0 | 0 | 113.7 | K310 I312 E316 | K310-N314 PolarHBondContact O-N 3.12Å; I312-N314 PolarHBondContact O-N 3.05Å; N314-E316 PolarHBondContact O-N 3.14Å |
| 315 | A | 54.1 | Low | 71.6 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -79.5 | 89.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T311 I312 S317 | T311-A315 WeakPolarHBondContact O-CB 3.3Å; T311-A315 PolarHBondContact O-N 3.36Å; I312-A315 WeakPolarHBondContact O-CB 3.36Å; I312-A315 PolarHBondContact O-N 2.99Å; A315-S317 WeakPolarHBondContact O-CA 3.29Å; A315-S317 PolarHBondContact O-N 3.33Å |
| 316 | E | 70.4 | Confident | 72 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | trans | 27.2 | 51.1 | 158 | -55 | 175.5 | 153.9 | 0 | 0 | 115.3 | N314 W318 A319 I320 | N314-E316 PolarHBondContact O-N 3.14Å; E316-W318 PolarHBondContact O-N 3.13Å; E316-W318 VanDerWaalsContact O-N 3.15Å; E316-A319 HydrophobicContact CB-CB 3.66Å; E316-A319 WeakPolarHBondContact O-CA 3.42Å; E316-A319 WeakPolarHBondContact O-CB 3.46Å; E316-A319 PolarHBondContact O-N 2.94Å; E316-I320 PolarHBondContact O-N 2.94Å; E316-I320 VanDerWaalsContact O-N 3.08Å | ||
| 317 | S | 74.6 | Confident | 72.4 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 60% | 0.601 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59 | -36 | -171.7 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | A315 A319 R321 | A315-S317 WeakPolarHBondContact O-CA 3.29Å; A315-S317 PolarHBondContact O-N 3.33Å; S317-A319 PolarHBondContact O-N 3.4Å; S317-R321 PolarHBondContact O-N 3.17Å; S317-R321 VanDerWaalsContact O-N 3.11Å |
| 318 | W | 85 | Confident | 73.2 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 172.8 | 73 | -95.9 | 0 | 0 | 0 | 112.5 | E316 R321 L322 I441 | E316-W318 PolarHBondContact O-N 3.13Å; E316-W318 VanDerWaalsContact O-N 3.15Å; W318-R321 PolarHBondContact O-N 3.33Å; W318-L322 HydrophobicContact CE3-CD2 4.38Å; W318-L322 HydrophobicContact CZ3-CD2 3.97Å; W318-L322 VanDerWaalsContact O-CB 3.3Å; W318-L322 WeakPolarHBondContact O-CB 3.19Å; W318-L322 PolarHBondContact O-N 3.14Å; W318-I441 HydrophobicContact CB-CD1 4Å; W318-I441 HydrophobicContact CD2-CD1 4.36Å; W318-I441 HydrophobicContact CD2-CG1 4.11Å; W318-I441 HydrophobicContact CE3-CB 4.32Å; W318-I441 HydrophobicContact CE3-CD1 4.05Å; W318-I441 HydrophobicContact CE3-CG1 3.86Å; W318-I441 HydrophobicContact CE3-CG2 3.62Å; W318-I441 HydrophobicContact CG-CD1 4.38Å; W318-I441 HydrophobicContact CG-CG1 4.43Å; W318-I441 HydrophobicContact CH2-CG2 4.43Å; W318-I441 HydrophobicContact CZ3-CB 4.48Å; W318-I441 HydrophobicContact CZ3-CG1 4.46Å; W318-I441 HydrophobicContact CZ3-CG2 3.53Å |
| 319 | A | 86.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E316 S317 Y323 Y468 L469 | E316-A319 HydrophobicContact CB-CB 3.66Å; E316-A319 WeakPolarHBondContact O-CA 3.42Å; E316-A319 WeakPolarHBondContact O-CB 3.46Å; E316-A319 PolarHBondContact O-N 2.94Å; S317-A319 PolarHBondContact O-N 3.4Å; A319-Y323 VanDerWaalsContact O-CB 3.3Å; A319-Y323 WeakPolarHBondContact O-CB 2.96Å; A319-Y323 PolarHBondContact O-N 3.34Å; A319-Y468 HydrophobicContact CB-CD2 4.09Å; A319-L469 HydrophobicContact CB-CD1 4.24Å |
| 320 | I | 86.3 | Confident | 76.5 | Confident | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 174 | -64.2 | 168.4 | 0 | 0 | 0 | 109.8 | E316 L322 Y323 D324 L469 Y473 | E316-I320 PolarHBondContact O-N 2.94Å; E316-I320 VanDerWaalsContact O-N 3.08Å; I320-L322 PolarHBondContact O-N 3.02Å; I320-Y323 PolarHBondContact O-N 3.23Å; I320-D324 PolarHBondContact O-N 3.28Å; I320-L469 HydrophobicContact CB-CD1 4.48Å; I320-L469 HydrophobicContact CG1-CD1 3.68Å; I320-Y473 HydrophobicContact CD1-CD1 3.71Å; I320-Y473 HydrophobicContact CD1-CE1 3.64Å; I320-Y473 HydrophobicContact CD1-CG 4.45Å; I320-Y473 HydrophobicContact CG1-CD1 4.03Å; I320-Y473 HydrophobicContact CG1-CE1 4.42Å; I320-Y473 HydrophobicContact CG1-CG 4.39Å |
| 321 | R | 86.4 | Confident | 78.4 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.9 | -171.6 | -177.7 | -178.1 | -178.7 | 2.5 | 111.8 | F239 S317 W318 Y323 D324 W325 P436 | F239-R321 PolarHBondContact O-NH2 3.23Å; S317-R321 PolarHBondContact O-N 3.17Å; S317-R321 VanDerWaalsContact O-N 3.11Å; W318-R321 PolarHBondContact O-N 3.33Å; R321-Y323 VanDerWaalsContact C-N 3.31Å; R321-Y323 PolarHBondContact O-N 3.09Å; R321-D324 PolarHBondContact O-N 3.41Å; R321-W325 VanDerWaalsContact O-CB 3.28Å; R321-W325 WeakPolarHBondContact O-CB 3.16Å; R321-W325 PolarHBondContact O-N 2.89Å; R321-P436 HydrophobicContact CG-CB 4.43Å; R321-P436 HydrophobicContact CG-CG 4.24Å |
| 322 | L | 88.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.6 | -177.3 | 64.3 | 0 | 0 | 0 | 111.6 | W318 I320 W325 S326 P436 I437 I441 L445 F462 | W318-L322 HydrophobicContact CE3-CD2 4.38Å; W318-L322 HydrophobicContact CZ3-CD2 3.97Å; W318-L322 VanDerWaalsContact O-CB 3.3Å; W318-L322 WeakPolarHBondContact O-CB 3.19Å; W318-L322 PolarHBondContact O-N 3.14Å; I320-L322 PolarHBondContact O-N 3.02Å; L322-W325 HydrophobicContact CD1-CE3 4.38Å; L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 2.93Å; L322-P436 HydrophobicContact CD1-CG 4.3Å; L322-I437 HydrophobicContact CD1-CD1 4.4Å; L322-I437 HydrophobicContact CD1-CG1 4.05Å; L322-I441 HydrophobicContact CD2-CG2 4.09Å; L322-L445 HydrophobicContact CD2-CD1 3.88Å; L322-F462 HydrophobicContact CD1-CZ 4.43Å; L322-F462 HydrophobicContact CD2-CE2 4.13Å; L322-F462 HydrophobicContact CG-CE2 4.37Å; L322-F462 HydrophobicContact CG-CZ 4.38Å |
| 323 | Y | 90.1 | Very high | 81.9 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -49.7 | 177.1 | 178 | -111 | 0 | 0 | 0 | 112.1 | A319 I320 R321 W325 S326 I327 L469 L474 V475 | A319-Y323 VanDerWaalsContact O-CB 3.3Å; A319-Y323 WeakPolarHBondContact O-CB 2.96Å; A319-Y323 PolarHBondContact O-N 3.34Å; I320-Y323 PolarHBondContact O-N 3.23Å; R321-Y323 VanDerWaalsContact C-N 3.31Å; R321-Y323 PolarHBondContact O-N 3.09Å; Y323-W325 VanDerWaalsContact C-N 3.28Å; Y323-W325 PolarHBondContact O-N 2.94Å; Y323-S326 PolarHBondContact O-N 2.62Å; Y323-S326 VanDerWaalsContact O-N 3.13Å; Y323-S326 PolarHBondContact O-OG 3.17Å; Y323-I327 HydrophobicContact CD1-CD1 3.64Å; Y323-I327 HydrophobicContact CD2-CD1 4.22Å; Y323-I327 HydrophobicContact CE1-CD1 3.21Å; Y323-I327 HydrophobicContact CE1-CG1 4.4Å; Y323-I327 HydrophobicContact CE2-CD1 3.83Å; Y323-I327 HydrophobicContact CE2-CG1 4.23Å; Y323-I327 HydrophobicContact CG-CD1 4.14Å; Y323-I327 WeakPolarHBondContact O-CG1 3.33Å; Y323-I327 PolarHBondContact O-N 3.39Å; Y323-I327 VanDerWaalsContact O-N 3.08Å; Y323-L469 HydrophobicContact CD1-CD2 3.38Å; Y323-L469 HydrophobicContact CD2-CD2 4.2Å; Y323-L469 HydrophobicContact CE1-CD2 4.04Å; Y323-L469 HydrophobicContact CG-CD2 3.45Å; Y323-L469 VanDerWaalsContact CG-CD2 3.45Å; Y323-L474 HydrophobicContact CD2-CD2 4.29Å; Y323-L474 HydrophobicContact CE1-CB 4.49Å; Y323-L474 HydrophobicContact CE1-CD2 3.97Å; Y323-L474 HydrophobicContact CE2-CD2 3.63Å; Y323-L474 VanDerWaalsContact CZ-CD2 3.42Å; Y323-V475 HydrophobicContact CE1-CG2 4.22Å; Y323-V475 PolarHBondContact OH-N 2.98Å; Y323-V475 VanDerWaalsContact OH-N 3.15Å |
| 324 | D | 89.7 | Confident | 83.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 178.8 | -66.7 | -30 | 0 | 0 | 0 | 110.8 | S237 A238 R271 I320 R321 I327 V328 | S237-D324 WeakPolarHBondContact OG-CB 3.12Å; S237-D324 VanDerWaalsContact OG-CG 3.27Å; S237-D324 PolarHBondContact OG-OD2 3.04Å; A238-D324 HydrophobicContact CB-CB 4.22Å; R271-D324 IonicContact CZ-OD1 3.51Å; R271-D324 IonicContact CZ-OD2 3.68Å; R271-D324 VanDerWaalsContact CZ-OD2 3.23Å; R271-D324 IonicContact NE-OD1 2.63Å; R271-D324 IonicContact NE-OD2 2.66Å; R271-D324 PolarHBondContact NE-OD2 3.43Å; R271-D324 VanDerWaalsContact NH2-CG 3.3Å; R271-D324 IonicContact NH2-OD1 3.58Å; R271-D324 PolarHBondContact NH2-OD1 3.22Å; R271-D324 IonicContact NH2-OD2 3.61Å; R271-D324 PolarHBondContact NH2-OD2 3.13Å; I320-D324 PolarHBondContact O-N 3.28Å; R321-D324 PolarHBondContact O-N 3.41Å; D324-I327 PolarHBondContact O-N 3.47Å; D324-V328 WeakPolarHBondContact O-CG2 3.46Å; D324-V328 PolarHBondContact O-N 3.34Å |
| 325 | W | 92 | Very high | 85.9 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 171.7 | -177.9 | 89.3 | 0 | 0 | 0 | 112.2 | A238 R321 L322 Y323 I327 V328 F329 L333 I430 L433 P436 | A238-W325 HydrophobicContact CB-CB 4.41Å; R321-W325 VanDerWaalsContact O-CB 3.28Å; R321-W325 WeakPolarHBondContact O-CB 3.16Å; R321-W325 PolarHBondContact O-N 2.89Å; L322-W325 HydrophobicContact CD1-CE3 4.38Å; Y323-W325 VanDerWaalsContact C-N 3.28Å; Y323-W325 PolarHBondContact O-N 2.94Å; W325-I327 PolarHBondContact O-N 3.45Å; W325-I327 VanDerWaalsContact O-N 3.12Å; W325-V328 PolarHBondContact O-N 3.02Å; W325-V328 VanDerWaalsContact O-N 3.13Å; W325-F329 AromaticContact CD1-CD2 3.59Å; W325-F329 AromaticContact CD1-CE2 3.53Å; W325-F329 HydrophobicContact CD2-CD2 4.08Å; W325-F329 AromaticContact CE2-CD2 3.66Å; W325-F329 HydrophobicContact CG-CD2 4.03Å; W325-F329 HydrophobicContact CG-CE2 4.38Å; W325-F329 HydrophobicContact CZ2-CB 4.34Å; W325-F329 HydrophobicContact CZ2-CD2 4.26Å; W325-F329 HydrophobicContact CZ2-CG 4.14Å; W325-F329 AromaticContact NE1-CD2 3.35Å; W325-F329 VanDerWaalsContact NE1-CD2 3.35Å; W325-F329 AromaticContact NE1-CE2 3.3Å; W325-F329 VanDerWaalsContact NE1-CE2 3.3Å; W325-F329 AromaticContact NE1-CZ 3.95Å; W325-F329 WeakPolarHBondContact O-CD2 3.41Å; W325-F329 PolarHBondContact O-N 3.44Å; W325-L333 HydrophobicContact CH2-CD1 4.28Å; W325-L333 HydrophobicContact CH2-CD2 3.92Å; W325-L333 HydrophobicContact CH2-CG 4.4Å; W325-L333 HydrophobicContact CZ3-CD1 3.83Å; W325-L333 HydrophobicContact CZ3-CD2 4.13Å; W325-L333 HydrophobicContact CZ3-CG 4.43Å; W325-I430 HydrophobicContact CH2-CB 4.15Å; W325-I430 HydrophobicContact CH2-CG1 4.08Å; W325-I430 HydrophobicContact CH2-CG2 3.56Å; W325-I430 HydrophobicContact CZ2-CG2 4.26Å; W325-I430 HydrophobicContact CZ3-CB 4.45Å; W325-I430 HydrophobicContact CZ3-CD1 4.45Å; W325-I430 HydrophobicContact CZ3-CG1 4.09Å; W325-I430 HydrophobicContact CZ3-CG2 3.74Å; W325-L433 HydrophobicContact CH2-CB 4.17Å; W325-L433 HydrophobicContact CH2-CD1 4.38Å; W325-L433 HydrophobicContact CZ2-CB 3.7Å; W325-P436 HydrophobicContact CB-CG 4.11Å; W325-P436 VanDerWaalsContact CG-CD 3.48Å; W325-P436 HydrophobicContact CG-CG 4.15Å |
| 326 | S | 90.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -28.3 | -179.8 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | L322 Y323 A330 | L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 2.93Å; Y323-S326 PolarHBondContact O-N 2.62Å; Y323-S326 VanDerWaalsContact O-N 3.13Å; Y323-S326 PolarHBondContact O-OG 3.17Å; S326-A330 VanDerWaalsContact O-CA 3.26Å; S326-A330 WeakPolarHBondContact O-CA 3.42Å; S326-A330 WeakPolarHBondContact O-CB 3.47Å; S326-A330 PolarHBondContact O-N 3.25Å; S326-A330 VanDerWaalsContact O-N 3.13Å |
| 327 | I | 89.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 30% | 0.297 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -75.5 | -44.7 | 177.2 | -69.1 | 158.8 | 0 | 0 | 0 | 111.3 | Y323 D324 W325 F329 A330 V475 | Y323-I327 HydrophobicContact CD1-CD1 3.64Å; Y323-I327 HydrophobicContact CD2-CD1 4.22Å; Y323-I327 HydrophobicContact CE1-CD1 3.21Å; Y323-I327 HydrophobicContact CE1-CG1 4.4Å; Y323-I327 HydrophobicContact CE2-CD1 3.83Å; Y323-I327 HydrophobicContact CE2-CG1 4.23Å; Y323-I327 HydrophobicContact CG-CD1 4.14Å; Y323-I327 WeakPolarHBondContact O-CG1 3.33Å; Y323-I327 PolarHBondContact O-N 3.39Å; Y323-I327 VanDerWaalsContact O-N 3.08Å; D324-I327 PolarHBondContact O-N 3.47Å; W325-I327 PolarHBondContact O-N 3.45Å; W325-I327 VanDerWaalsContact O-N 3.12Å; I327-F329 VanDerWaalsContact C-N 3.31Å; I327-F329 PolarHBondContact O-N 2.71Å; I327-A330 VanDerWaalsContact O-CB 3.25Å; I327-A330 WeakPolarHBondContact O-CB 3.27Å; I327-A330 PolarHBondContact O-N 3.26Å; I327-V475 HydrophobicContact CD1-CG2 3.32Å; I327-V475 HydrophobicContact CG1-CG2 4.38Å |
| 328 | V | 89.3 | Confident | 89.1 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.6 | -35.4 | -178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A201 V235 A238 F239 D324 W325 | A201-V328 HydrophobicContact CB-CG1 4.15Å; V235-V328 HydrophobicContact CG2-CG2 4.05Å; A238-V328 HydrophobicContact CB-CB 4.07Å; A238-V328 HydrophobicContact CB-CG2 3.57Å; F239-V328 HydrophobicContact CE2-CG1 4.3Å; D324-V328 WeakPolarHBondContact O-CG2 3.46Å; D324-V328 PolarHBondContact O-N 3.34Å; W325-V328 PolarHBondContact O-N 3.02Å; W325-V328 VanDerWaalsContact O-N 3.13Å |
| 329 | F | 89.8 | Confident | 89.2 | Confident | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.044 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 15.2 | 177.8 | -68.7 | -94.1 | 0 | 0 | 0 | 112.7 | R205 F239 W325 I327 N331 D332 L333 | R205-F329 HydrophobicContact CG-CE1 4.46Å; R205-F329 HydrophobicContact CG-CZ 4.45Å; R205-F329 VanDerWaalsContact NE-CE1 3.34Å; F239-F329 HydrophobicContact CE1-CE2 4.49Å; F239-F329 HydrophobicContact CE1-CZ 4.17Å; F239-F329 HydrophobicContact CE2-CE2 4.24Å; F239-F329 HydrophobicContact CE2-CZ 4.43Å; F239-F329 AromaticContact CZ-CE2 3.94Å; F239-F329 HydrophobicContact CZ-CE2 3.94Å; F239-F329 AromaticContact CZ-CZ 3.71Å; F239-F329 HydrophobicContact CZ-CZ 3.71Å; W325-F329 AromaticContact CD1-CD2 3.59Å; W325-F329 AromaticContact CD1-CE2 3.53Å; W325-F329 HydrophobicContact CD2-CD2 4.08Å; W325-F329 AromaticContact CE2-CD2 3.66Å; W325-F329 HydrophobicContact CG-CD2 4.03Å; W325-F329 HydrophobicContact CG-CE2 4.38Å; W325-F329 HydrophobicContact CZ2-CB 4.34Å; W325-F329 HydrophobicContact CZ2-CD2 4.26Å; W325-F329 HydrophobicContact CZ2-CG 4.14Å; W325-F329 AromaticContact NE1-CD2 3.35Å; W325-F329 VanDerWaalsContact NE1-CD2 3.35Å; W325-F329 AromaticContact NE1-CE2 3.3Å; W325-F329 VanDerWaalsContact NE1-CE2 3.3Å; W325-F329 AromaticContact NE1-CZ 3.95Å; W325-F329 WeakPolarHBondContact O-CD2 3.41Å; W325-F329 PolarHBondContact O-N 3.44Å; I327-F329 VanDerWaalsContact C-N 3.31Å; I327-F329 PolarHBondContact O-N 2.71Å; F329-N331 PolarHBondContact O-N 2.87Å; F329-N331 VanDerWaalsContact O-N 3.16Å; F329-D332 WeakPolarHBondContact CD1-OD2 3.37Å; F329-D332 PolarHBondContact O-N 3.15Å; F329-L333 HydrophobicContact CB-CD1 4.35Å; F329-L333 HydrophobicContact CB-CG 4.31Å; F329-L333 WeakPolarHBondContact O-CB 3.43Å; F329-L333 VanDerWaalsContact O-CG 3.27Å; F329-L333 WeakPolarHBondContact O-CG 3.13Å; F329-L333 PolarHBondContact O-N 2.87Å |
| 330 | A | 90.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -34.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S326 I327 R334 | S326-A330 VanDerWaalsContact O-CA 3.26Å; S326-A330 WeakPolarHBondContact O-CA 3.42Å; S326-A330 WeakPolarHBondContact O-CB 3.47Å; S326-A330 PolarHBondContact O-N 3.25Å; S326-A330 VanDerWaalsContact O-N 3.13Å; I327-A330 VanDerWaalsContact O-CB 3.25Å; I327-A330 WeakPolarHBondContact O-CB 3.27Å; I327-A330 PolarHBondContact O-N 3.26Å; A330-R334 WeakPolarHBondContact O-CB 3.34Å; A330-R334 VanDerWaalsContact O-CD 3.26Å; A330-R334 WeakPolarHBondContact O-CD 3.09Å; A330-R334 WeakPolarHBondContact O-CG 3.26Å; A330-R334 PolarHBondContact O-N 3.49Å; A330-R334 VanDerWaalsContact O-N 3.1Å |
| 331 | N | 90.4 | Very high | 89.1 | Confident | 121 Ų | 121 | 47.1 Ų | 47.1 | 65% | 0.647 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -73.3 | -50.8 | 178.5 | -66.5 | -17.2 | 0 | 0 | 0 | 110.9 | F329 L333 R334 E335 | F329-N331 PolarHBondContact O-N 2.87Å; F329-N331 VanDerWaalsContact O-N 3.16Å; N331-L333 VanDerWaalsContact C-N 3.28Å; N331-L333 PolarHBondContact O-N 3.36Å; N331-R334 WeakPolarHBondContact O-CB 3.09Å; N331-R334 PolarHBondContact O-N 2.95Å; N331-E335 PolarHBondContact O-N 3.08Å |
| 332 | D | 89.3 | Confident | 89.2 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -43 | 177.7 | -50.4 | -29.4 | 0 | 0 | 0 | 111.1 | R205 F329 R336 L433 | R205-D332 IonicContact CZ-OD2 2.75Å; R205-D332 IonicContact NE-OD2 2.75Å; R205-D332 IonicContact NH2-OD2 3.71Å; R205-D332 PolarHBondContact NH2-OD2 2.87Å; F329-D332 WeakPolarHBondContact CD1-OD2 3.37Å; F329-D332 PolarHBondContact O-N 3.15Å; D332-R336 WeakPolarHBondContact O-CG 3.42Å; D332-R336 PolarHBondContact O-N 2.95Å; D332-R336 VanDerWaalsContact O-N 3.11Å; D332-L433 HydrophobicContact CB-CD1 4.15Å; D332-L433 HydrophobicContact CB-CD2 4.43Å |
| 333 | L | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.3 | -73.8 | 173.4 | 0 | 0 | 0 | 111.8 | W325 F329 N331 E335 F337 V429 I430 L433 L463 | W325-L333 HydrophobicContact CH2-CD1 4.28Å; W325-L333 HydrophobicContact CH2-CD2 3.92Å; W325-L333 HydrophobicContact CH2-CG 4.4Å; W325-L333 HydrophobicContact CZ3-CD1 3.83Å; W325-L333 HydrophobicContact CZ3-CD2 4.13Å; W325-L333 HydrophobicContact CZ3-CG 4.43Å; F329-L333 HydrophobicContact CB-CD1 4.35Å; F329-L333 HydrophobicContact CB-CG 4.31Å; F329-L333 WeakPolarHBondContact O-CB 3.43Å; F329-L333 VanDerWaalsContact O-CG 3.27Å; F329-L333 WeakPolarHBondContact O-CG 3.13Å; F329-L333 PolarHBondContact O-N 2.87Å; N331-L333 VanDerWaalsContact C-N 3.28Å; N331-L333 PolarHBondContact O-N 3.36Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-E335 PolarHBondContact O-N 3.47Å; L333-F337 HydrophobicContact CB-CD2 4.06Å; L333-F337 HydrophobicContact CB-CE2 3.87Å; L333-F337 HydrophobicContact CD2-CE2 3.81Å; L333-F337 HydrophobicContact CD2-CZ 4.01Å; L333-F337 HydrophobicContact CG-CE2 4.33Å; L333-F337 WeakPolarHBondContact O-CB 3.3Å; L333-F337 WeakPolarHBondContact O-CD2 3.37Å; L333-F337 WeakPolarHBondContact O-CG 3.25Å; L333-F337 PolarHBondContact O-N 3.26Å; L333-V429 HydrophobicContact CD2-CG1 3.88Å; L333-I430 HydrophobicContact CD2-CG1 4.23Å; L333-L433 HydrophobicContact CD2-CD1 3.81Å; L333-L433 HydrophobicContact CG-CD1 4.23Å; L333-L463 HydrophobicContact CD1-CD2 3.95Å |
| 334 | R | 90 | Very high | 88.6 | Confident | 129 Ų | 129 | 59.4 Ų | 59.4 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 179.1 | -80.6 | 167.1 | -175.7 | -154.3 | 2.1 | 111.5 | A330 N331 F337 I338 W459 L463 | A330-R334 WeakPolarHBondContact O-CB 3.34Å; A330-R334 VanDerWaalsContact O-CD 3.26Å; A330-R334 WeakPolarHBondContact O-CD 3.09Å; A330-R334 WeakPolarHBondContact O-CG 3.26Å; A330-R334 PolarHBondContact O-N 3.49Å; A330-R334 VanDerWaalsContact O-N 3.1Å; N331-R334 WeakPolarHBondContact O-CB 3.09Å; N331-R334 PolarHBondContact O-N 2.95Å; R334-F337 PolarHBondContact O-N 2.88Å; R334-I338 VanDerWaalsContact O-CB 3.3Å; R334-I338 WeakPolarHBondContact O-CB 3.33Å; R334-I338 WeakPolarHBondContact O-CD1 3.4Å; R334-I338 WeakPolarHBondContact O-CG1 3.46Å; R334-I338 PolarHBondContact O-N 3.27Å; R334-W459 HydrophobicContact CG-CH2 4.36Å; R334-W459 HydrophobicContact CG-CZ3 3.78Å; R334-L463 HydrophobicContact CG-CD1 4.02Å |
| 335 | E | 90.6 | Very high | 88.3 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.5 | -54 | -179.8 | -172.3 | 169.2 | -159.8 | 0 | 0 | 110.8 | N331 L333 F337 I338 E339 | N331-E335 PolarHBondContact O-N 3.08Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-E335 PolarHBondContact O-N 3.47Å; E335-F337 PolarHBondContact O-N 3.15Å; E335-I338 PolarHBondContact O-N 2.91Å; E335-I338 VanDerWaalsContact O-N 3.15Å; E335-E339 WeakPolarHBondContact O-CG 3.49Å; E335-E339 PolarHBondContact O-N 3.07Å |
| 336 | R | 89 | Confident | 87.9 | Confident | 93 Ų | 93 | 64 Ų | 64 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 178.5 | -67.9 | -175.1 | -175.4 | -148 | -2.2 | 113 | D332 E339 I340 V429 S432 | D332-R336 WeakPolarHBondContact O-CG 3.42Å; D332-R336 PolarHBondContact O-N 2.95Å; D332-R336 VanDerWaalsContact O-N 3.11Å; R336-E339 PolarHBondContact O-N 2.87Å; R336-I340 WeakPolarHBondContact O-CD1 3.41Å; R336-I340 VanDerWaalsContact O-CG1 3.31Å; R336-I340 WeakPolarHBondContact O-CG1 3.47Å; R336-I340 PolarHBondContact O-N 3.33Å; R336-V429 HydrophobicContact CB-CG1 3.99Å; R336-V429 HydrophobicContact CB-CG2 4.39Å; R336-S432 PolarHBondContact NH1-OG 2.84Å |
| 337 | F | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 177.1 | -71.8 | -38.7 | 0 | 0 | 0 | 112.6 | L333 R334 E335 S341 I421 F426 V429 W459 | L333-F337 HydrophobicContact CB-CD2 4.06Å; L333-F337 HydrophobicContact CB-CE2 3.87Å; L333-F337 HydrophobicContact CD2-CE2 3.81Å; L333-F337 HydrophobicContact CD2-CZ 4.01Å; L333-F337 HydrophobicContact CG-CE2 4.33Å; L333-F337 WeakPolarHBondContact O-CB 3.3Å; L333-F337 WeakPolarHBondContact O-CD2 3.37Å; L333-F337 WeakPolarHBondContact O-CG 3.25Å; L333-F337 PolarHBondContact O-N 3.26Å; R334-F337 PolarHBondContact O-N 2.88Å; E335-F337 PolarHBondContact O-N 3.15Å; F337-S341 VanDerWaalsContact O-CB 3.26Å; F337-S341 WeakPolarHBondContact O-CB 3.35Å; F337-S341 PolarHBondContact O-N 2.86Å; F337-I421 HydrophobicContact CB-CD1 3.57Å; F337-I421 HydrophobicContact CD1-CD1 3.33Å; F337-I421 HydrophobicContact CE1-CD1 4.21Å; F337-I421 HydrophobicContact CG-CD1 3.65Å; F337-F426 AromaticContact CE1-CD2 3.72Å; F337-F426 HydrophobicContact CE1-CD2 3.72Å; F337-F426 HydrophobicContact CE1-CE2 4.29Å; F337-F426 HydrophobicContact CE2-CD2 4.47Å; F337-F426 HydrophobicContact CE2-CE2 4.27Å; F337-F426 AromaticContact CZ-CD2 3.5Å; F337-F426 HydrophobicContact CZ-CD2 3.5Å; F337-F426 VanDerWaalsContact CZ-CD2 3.5Å; F337-F426 AromaticContact CZ-CE2 3.6Å; F337-F426 HydrophobicContact CZ-CE2 3.6Å; F337-V429 HydrophobicContact CD1-CB 4.49Å; F337-V429 HydrophobicContact CD1-CG1 4.26Å; F337-V429 HydrophobicContact CD1-CG2 4.2Å; F337-V429 HydrophobicContact CE1-CB 3.83Å; F337-V429 HydrophobicContact CE1-CG1 3.74Å; F337-V429 HydrophobicContact CE1-CG2 3.97Å; F337-V429 HydrophobicContact CZ-CB 4.38Å; F337-V429 HydrophobicContact CZ-CG1 3.98Å; F337-W459 HydrophobicContact CB-CD2 4.05Å; F337-W459 HydrophobicContact CB-CE3 4.5Å; F337-W459 HydrophobicContact CB-CG 4.11Å; F337-W459 HydrophobicContact CD2-CB 3.82Å; F337-W459 HydrophobicContact CD2-CD2 4.23Å; F337-W459 HydrophobicContact CD2-CE3 4.21Å; F337-W459 HydrophobicContact CD2-CG 4.1Å; F337-W459 HydrophobicContact CE2-CB 4.11Å; F337-W459 HydrophobicContact CG-CB 4.15Å; F337-W459 HydrophobicContact CG-CD2 4.43Å; F337-W459 HydrophobicContact CG-CG 4.17Å |
| 338 | I | 88.2 | Confident | 86.9 | Confident | 73 Ų | 73 | 68 Ų | 68 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 173.4 | -72.6 | 163.9 | 0 | 0 | 0 | 110.1 | R334 E335 I340 S341 H342 W459 | R334-I338 VanDerWaalsContact O-CB 3.3Å; R334-I338 WeakPolarHBondContact O-CB 3.33Å; R334-I338 WeakPolarHBondContact O-CD1 3.4Å; R334-I338 WeakPolarHBondContact O-CG1 3.46Å; R334-I338 PolarHBondContact O-N 3.27Å; E335-I338 PolarHBondContact O-N 2.91Å; E335-I338 VanDerWaalsContact O-N 3.15Å; I338-I340 PolarHBondContact O-N 2.77Å; I338-S341 WeakPolarHBondContact CA-OG 3.26Å; I338-S341 WeakPolarHBondContact O-CB 3.28Å; I338-S341 PolarHBondContact O-N 3.13Å; I338-S341 VanDerWaalsContact O-N 3.13Å; I338-S341 PolarHBondContact O-OG 3.03Å; I338-H342 PolarHBondContact O-CD2 3.1Å; I338-H342 PolarHBondContact O-N 3.03Å; I338-W459 HydrophobicContact CG1-CZ2 4.38Å |
| 339 | E | 87.4 | Confident | 86.5 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.4 | -47.9 | 176.1 | -71.6 | 173.2 | 172.2 | 0 | 0 | 112.3 | E335 R336 S341 H342 R343 | E335-E339 WeakPolarHBondContact O-CG 3.49Å; E335-E339 PolarHBondContact O-N 3.07Å; R336-E339 PolarHBondContact O-N 2.87Å; E339-S341 VanDerWaalsContact C-N 3.3Å; E339-S341 PolarHBondContact O-N 3.13Å; E339-H342 PolarHBondContact O-N 3.12Å; E339-R343 PolarHBondContact O-N 3.13Å |
| 340 | I | 87.1 | Confident | 85.8 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 16% | 0.159 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.9 | -68.7 | 164.6 | 0 | 0 | 0 | 110.6 | R336 I338 H342 R343 L344 I421 D425 V429 | R336-I340 WeakPolarHBondContact O-CD1 3.41Å; R336-I340 VanDerWaalsContact O-CG1 3.31Å; R336-I340 WeakPolarHBondContact O-CG1 3.47Å; R336-I340 PolarHBondContact O-N 3.33Å; I338-I340 PolarHBondContact O-N 2.77Å; I340-H342 VanDerWaalsContact C-N 3.27Å; I340-H342 PolarHBondContact O-N 3.3Å; I340-R343 PolarHBondContact O-N 3.16Å; I340-L344 HydrophobicContact CG2-CD1 3.81Å; I340-L344 HydrophobicContact CG2-CG 4.18Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 3.49Å; I340-I421 HydrophobicContact CG2-CG2 4.16Å; I340-D425 HydrophobicContact CG2-CB 4.24Å; I340-V429 HydrophobicContact CD1-CG2 3.15Å |
| 341 | S | 84.5 | Confident | 84.8 | Confident | 5 Ų | 5 | 82.7 Ų | 82.7 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 178 | 81.8 | 0 | 0 | 0 | 0 | 112.9 | F337 I338 E339 S345 | F337-S341 VanDerWaalsContact O-CB 3.26Å; F337-S341 WeakPolarHBondContact O-CB 3.35Å; F337-S341 PolarHBondContact O-N 2.86Å; I338-S341 WeakPolarHBondContact CA-OG 3.26Å; I338-S341 WeakPolarHBondContact O-CB 3.28Å; I338-S341 PolarHBondContact O-N 3.13Å; I338-S341 VanDerWaalsContact O-N 3.13Å; I338-S341 PolarHBondContact O-OG 3.03Å; E339-S341 VanDerWaalsContact C-N 3.3Å; E339-S341 PolarHBondContact O-N 3.13Å; S341-S345 WeakPolarHBondContact O-CB 3.47Å; S341-S345 PolarHBondContact O-N 3.3Å; S341-S345 VanDerWaalsContact O-N 3.09Å; S341-S345 PolarHBondContact O-OG 3.2Å |
| 342 | H | 86.8 | Confident | 84 | Confident | 125 Ų | 125 | 83.2 Ų | 83.2 | 58% | 0.579 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.3 | -45.7 | 174.3 | -77.8 | -64.3 | 0 | 0 | 0 | 111.7 | I338 E339 I340 L344 S345 S346 | I338-H342 PolarHBondContact O-CD2 3.1Å; I338-H342 PolarHBondContact O-N 3.03Å; E339-H342 PolarHBondContact O-N 3.12Å; I340-H342 VanDerWaalsContact C-N 3.27Å; I340-H342 PolarHBondContact O-N 3.3Å; H342-L344 VanDerWaalsContact C-N 3.33Å; H342-L344 PolarHBondContact O-N 3.08Å; H342-S345 PolarHBondContact O-N 2.84Å; H342-S346 PolarHBondContact O-N 3.39Å; H342-S346 PolarHBondContact O-OG 3.15Å |
| 343 | R | 84.8 | Confident | 83.2 | Confident | 196 Ų | 196 | 87.3 Ų | 87.3 | 74% | 0.74 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.1 | -41 | 176.2 | -176.3 | -178.8 | 177.1 | 176.7 | -0.9 | 112.8 | E339 I340 S346 A347 | E339-R343 PolarHBondContact O-N 3.13Å; I340-R343 PolarHBondContact O-N 3.16Å; R343-S346 PolarHBondContact O-OG 3.49Å; R343-A347 WeakPolarHBondContact O-CB 3.41Å; R343-A347 PolarHBondContact O-N 3.44Å; R343-A347 VanDerWaalsContact O-N 3.14Å |
| 344 | L | 83.1 | Confident | 82.1 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 34% | 0.335 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 177.3 | -68.8 | 173.3 | 0 | 0 | 0 | 111.9 | I340 H342 L348 P422 | I340-L344 HydrophobicContact CG2-CD1 3.81Å; I340-L344 HydrophobicContact CG2-CG 4.18Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 3.49Å; H342-L344 VanDerWaalsContact C-N 3.33Å; H342-L344 PolarHBondContact O-N 3.08Å; L344-L348 PolarHBondContact O-N 2.93Å; L344-L348 VanDerWaalsContact O-N 3.13Å; L344-P422 HydrophobicContact CD1-CG 4.29Å |
| 345 | S | 83.3 | Confident | 81.1 | Confident | 52 Ų | 52 | 89.3 Ų | 89.3 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 177.5 | -59 | 0 | 0 | 0 | 0 | 111.8 | S341 H342 L348 E349 | S341-S345 WeakPolarHBondContact O-CB 3.47Å; S341-S345 PolarHBondContact O-N 3.3Å; S341-S345 VanDerWaalsContact O-N 3.09Å; S341-S345 PolarHBondContact O-OG 3.2Å; H342-S345 PolarHBondContact O-N 2.84Å; S345-L348 PolarHBondContact O-N 3.42Å; S345-E349 PolarHBondContact O-N 3.11Å; S345-E349 VanDerWaalsContact O-N 3.14Å |
| 346 | S | 83.7 | Confident | 80.1 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.1 | 62.8 | 0 | 0 | 0 | 0 | 112 | H342 R343 L348 E349 E350 | H342-S346 PolarHBondContact O-N 3.39Å; H342-S346 PolarHBondContact O-OG 3.15Å; R343-S346 PolarHBondContact O-OG 3.49Å; S346-L348 VanDerWaalsContact C-N 3.28Å; S346-L348 PolarHBondContact O-N 2.89Å; S346-E349 PolarHBondContact O-N 3.43Å; S346-E349 VanDerWaalsContact O-N 3.14Å; S346-E350 PolarHBondContact O-N 3.38Å |
| 347 | A | 79.3 | Confident | 79.1 | Confident | 43 Ų | 43 | 83.9 Ų | 83.9 | 36% | 0.355 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R343 Q351 | R343-A347 WeakPolarHBondContact O-CB 3.41Å; R343-A347 PolarHBondContact O-N 3.44Å; R343-A347 VanDerWaalsContact O-N 3.14Å; A347-Q351 WeakPolarHBondContact O-CG 3.32Å; A347-Q351 PolarHBondContact O-N 3.02Å |
| 348 | L | 80.1 | Confident | 78 | Confident | 98 Ų | 98 | 87.3 Ų | 87.3 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.2 | -32.3 | 176.4 | -173 | 65 | 0 | 0 | 0 | 112.5 | L344 S345 S346 K352 | L344-L348 PolarHBondContact O-N 2.93Å; L344-L348 VanDerWaalsContact O-N 3.13Å; S345-L348 PolarHBondContact O-N 3.42Å; S346-L348 VanDerWaalsContact C-N 3.28Å; S346-L348 PolarHBondContact O-N 2.89Å; L348-K352 WeakPolarHBondContact O-CG 3.37Å; L348-K352 PolarHBondContact O-N 2.67Å; L348-K352 VanDerWaalsContact O-N 3.17Å |
| 349 | E | 79.7 | Confident | 76.7 | Confident | 126 Ų | 126 | 86.8 Ų | 86.8 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.3 | -44.5 | 173.9 | -72.7 | -178.3 | 168.9 | 0 | 0 | 111.1 | S345 S346 Q351 K352 E353 | S345-E349 PolarHBondContact O-N 3.11Å; S345-E349 VanDerWaalsContact O-N 3.14Å; S346-E349 PolarHBondContact O-N 3.43Å; S346-E349 VanDerWaalsContact O-N 3.14Å; E349-Q351 VanDerWaalsContact C-N 3.31Å; E349-Q351 PolarHBondContact O-N 3.02Å; E349-K352 WeakPolarHBondContact O-CB 3.46Å; E349-K352 PolarHBondContact O-N 3Å; E349-E353 PolarHBondContact O-N 3.37Å |
| 350 | E | 75.7 | Confident | 75.6 | Confident | 122 Ų | 122 | 89.8 Ų | 89.8 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | 173.5 | -71.3 | 173.2 | -172.8 | 0 | 0 | 112.2 | S346 K352 E353 T354 | S346-E350 PolarHBondContact O-N 3.38Å; E350-K352 VanDerWaalsContact C-N 3.34Å; E350-K352 PolarHBondContact O-N 3.2Å; E350-E353 PolarHBondContact O-N 2.96Å; E350-T354 WeakPolarHBondContact O-CB 3.21Å; E350-T354 WeakPolarHBondContact O-CG2 3.35Å; E350-T354 PolarHBondContact O-N 2.67Å; E350-T354 PolarHBondContact O-OG1 3.17Å |
| 351 | Q | 68.5 | Low | 74.3 | Confident | 121 Ų | 121 | 94.7 Ų | 94.7 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.7 | -32.8 | 174.3 | -76.1 | -154.9 | -0.7 | 0 | 0 | 113.4 | A347 E349 T354 N355 | A347-Q351 WeakPolarHBondContact O-CG 3.32Å; A347-Q351 PolarHBondContact O-N 3.02Å; E349-Q351 VanDerWaalsContact C-N 3.31Å; E349-Q351 PolarHBondContact O-N 3.02Å; Q351-T354 VanDerWaalsContact CA-OG1 3.28Å; Q351-T354 WeakPolarHBondContact CA-OG1 3.45Å; Q351-T354 PolarHBondContact O-OG1 3.04Å; Q351-T354 VanDerWaalsContact O-OG1 3.07Å; Q351-N355 WeakPolarHBondContact O-CB 3.31Å; Q351-N355 PolarHBondContact O-N 3.33Å; Q351-N355 PolarHBondContact O-ND2 3.35Å |
| 352 | K | 73.8 | Confident | 73.1 | Confident | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.1 | -39.5 | 174.6 | -75.1 | 173.3 | -176.4 | 170.9 | 0 | 111.4 | L348 E349 E350 S356 | L348-K352 WeakPolarHBondContact O-CG 3.37Å; L348-K352 PolarHBondContact O-N 2.67Å; L348-K352 VanDerWaalsContact O-N 3.17Å; E349-K352 WeakPolarHBondContact O-CB 3.46Å; E349-K352 PolarHBondContact O-N 3Å; E350-K352 VanDerWaalsContact C-N 3.34Å; E350-K352 PolarHBondContact O-N 3.2Å; K352-S356 VanDerWaalsContact O-CB 3.29Å; K352-S356 WeakPolarHBondContact O-CB 3.32Å; K352-S356 PolarHBondContact O-N 3.16Å; K352-S356 PolarHBondContact O-OG 3.47Å |
| 353 | E | 72.3 | Confident | 71.8 | Confident | 135 Ų | 135 | 98 Ų | 98 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -47.9 | 176.9 | -71.5 | -173.1 | 171.1 | 0 | 0 | 111.4 | E349 E350 S356 S357 | E349-E353 PolarHBondContact O-N 3.37Å; E350-E353 PolarHBondContact O-N 2.96Å; E353-S356 PolarHBondContact O-N 3.26Å; E353-S356 VanDerWaalsContact O-N 3.16Å; E353-S356 PolarHBondContact O-OG 3.08Å; E353-S357 PolarHBondContact O-N 3.18Å |
| 354 | T | 68.2 | Low | 70.7 | Confident | 73 Ų | 73 | 91.5 Ų | 91.5 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 175.3 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | E350 Q351 S356 S357 V358 | E350-T354 WeakPolarHBondContact O-CB 3.21Å; E350-T354 WeakPolarHBondContact O-CG2 3.35Å; E350-T354 PolarHBondContact O-N 2.67Å; E350-T354 PolarHBondContact O-OG1 3.17Å; Q351-T354 VanDerWaalsContact CA-OG1 3.28Å; Q351-T354 WeakPolarHBondContact CA-OG1 3.45Å; Q351-T354 PolarHBondContact O-OG1 3.04Å; Q351-T354 VanDerWaalsContact O-OG1 3.07Å; T354-S356 VanDerWaalsContact C-N 3.27Å; T354-S356 PolarHBondContact O-N 3.23Å; T354-S357 WeakPolarHBondContact CA-OG 3.13Å; T354-S357 PolarHBondContact O-N 3.12Å; T354-S357 VanDerWaalsContact O-N 3.08Å; T354-S357 PolarHBondContact O-OG 3.11Å; T354-V358 WeakPolarHBondContact O-CG2 3.38Å; T354-V358 PolarHBondContact O-N 3.35Å |
| 355 | N | 68.4 | Low | 69.3 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 175.1 | -74.5 | -26.8 | 0 | 0 | 0 | 112.6 | Q351 S359 | Q351-N355 WeakPolarHBondContact O-CB 3.31Å; Q351-N355 PolarHBondContact O-N 3.33Å; Q351-N355 PolarHBondContact O-ND2 3.35Å; N355-S359 WeakPolarHBondContact O-CB 3.35Å; N355-S359 PolarHBondContact O-N 3.18Å; N355-S359 PolarHBondContact O-OG 3.1Å |
| 356 | S | 69.4 | Low | 68 | Low | 46 Ų | 46 | 99.3 Ų | 99.3 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 174.3 | 81.3 | 0 | 0 | 0 | 0 | 112.2 | K352 E353 T354 S359 R360 | K352-S356 VanDerWaalsContact O-CB 3.29Å; K352-S356 WeakPolarHBondContact O-CB 3.32Å; K352-S356 PolarHBondContact O-N 3.16Å; K352-S356 PolarHBondContact O-OG 3.47Å; E353-S356 PolarHBondContact O-N 3.26Å; E353-S356 VanDerWaalsContact O-N 3.16Å; E353-S356 PolarHBondContact O-OG 3.08Å; T354-S356 VanDerWaalsContact C-N 3.27Å; T354-S356 PolarHBondContact O-N 3.23Å; S356-S359 PolarHBondContact O-N 3.43Å; S356-R360 WeakPolarHBondContact O-CG 3.28Å; S356-R360 PolarHBondContact O-N 2.89Å |
| 357 | S | 68.3 | Low | 66.6 | Low | 54 Ų | 54 | 102.7 Ų | 102.7 | 38% | 0.378 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 176.2 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | E353 T354 S359 R360 E361 | E353-S357 PolarHBondContact O-N 3.18Å; T354-S357 WeakPolarHBondContact CA-OG 3.13Å; T354-S357 PolarHBondContact O-N 3.12Å; T354-S357 VanDerWaalsContact O-N 3.08Å; T354-S357 PolarHBondContact O-OG 3.11Å; S357-S359 VanDerWaalsContact C-N 3.32Å; S357-S359 PolarHBondContact O-N 3.2Å; S357-R360 PolarHBondContact O-N 3.03Å; S357-E361 PolarHBondContact O-N 2.84Å |
| 358 | V | 65.2 | Low | 65.4 | Low | 73 Ų | 73 | 106.5 Ų | 106.5 | 44% | 0.442 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | T354 E361 L362 | T354-V358 WeakPolarHBondContact O-CG2 3.38Å; T354-V358 PolarHBondContact O-N 3.35Å; V358-E361 PolarHBondContact O-N 3.39Å; V358-L362 HydrophobicContact CG1-CD1 4.01Å; V358-L362 WeakPolarHBondContact O-CB 3.48Å; V358-L362 WeakPolarHBondContact O-CG 3.04Å; V358-L362 PolarHBondContact O-N 3.25Å |
| 359 | S | 60.9 | Low | 63.9 | Low | 62 Ų | 62 | 107.5 Ų | 107.5 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 174.6 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | N355 S356 S357 L362 D363 | N355-S359 WeakPolarHBondContact O-CB 3.35Å; N355-S359 PolarHBondContact O-N 3.18Å; N355-S359 PolarHBondContact O-OG 3.1Å; S356-S359 PolarHBondContact O-N 3.43Å; S357-S359 VanDerWaalsContact C-N 3.32Å; S357-S359 PolarHBondContact O-N 3.2Å; S359-L362 PolarHBondContact O-N 3.15Å; S359-D363 WeakPolarHBondContact O-CB 3.47Å; S359-D363 VanDerWaalsContact O-CG 3.26Å; S359-D363 PolarHBondContact O-N 3.04Å |
| 360 | R | 64.9 | Low | 62.6 | Low | 176 Ų | 176 | 105.9 Ų | 105.9 | 66% | 0.664 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -35.2 | 175.5 | -74.1 | 176.1 | -172.2 | 148.9 | 3.6 | 113.2 | S356 S357 S364 | S356-R360 WeakPolarHBondContact O-CG 3.28Å; S356-R360 PolarHBondContact O-N 2.89Å; S357-R360 PolarHBondContact O-N 3.03Å; R360-S364 WeakPolarHBondContact O-CB 3.5Å; R360-S364 PolarHBondContact O-N 3.42Å; R360-S364 PolarHBondContact O-OG 2.86Å |
| 361 | E | 59.8 | Low | 61.4 | Low | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72 | -34.4 | 174.9 | -77.2 | -172.7 | 168.7 | 0 | 0 | 112.7 | S357 V358 S364 R365 | S357-E361 PolarHBondContact O-N 2.84Å; V358-E361 PolarHBondContact O-N 3.39Å; E361-S364 PolarHBondContact O-OG 3.13Å; E361-S364 VanDerWaalsContact O-OG 3.11Å; E361-R365 WeakPolarHBondContact O-CB 3.46Å; E361-R365 PolarHBondContact O-N 3.36Å |
| 362 | L | 58.9 | Low | 60.3 | Low | 97 Ų | 97 | 104 Ų | 104 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 172.6 | -76.7 | 164.1 | 0 | 0 | 0 | 111.4 | V358 S359 R365 N366 | V358-L362 HydrophobicContact CG1-CD1 4.01Å; V358-L362 WeakPolarHBondContact O-CB 3.48Å; V358-L362 WeakPolarHBondContact O-CG 3.04Å; V358-L362 PolarHBondContact O-N 3.25Å; S359-L362 PolarHBondContact O-N 3.15Å; L362-R365 PolarHBondContact O-N 3.04Å; L362-N366 PolarHBondContact O-N 3.41Å; L362-N366 VanDerWaalsContact O-N 3.09Å; L362-N366 PolarHBondContact O-ND2 3.18Å |
| 363 | D | 58.8 | Low | 59 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.2 | -71.3 | -21.3 | 0 | 0 | 0 | 111.2 | S359 R365 N366 D367 | S359-D363 WeakPolarHBondContact O-CB 3.47Å; S359-D363 VanDerWaalsContact O-CG 3.26Å; S359-D363 PolarHBondContact O-N 3.04Å; D363-R365 PolarHBondContact O-N 2.77Å; D363-N366 PolarHBondContact O-N 2.72Å; D363-D367 PolarHBondContact O-N 3.1Å |
| 364 | S | 62.4 | Low | 57.8 | Low | 60 Ų | 60 | 101.2 Ų | 101.2 | 42% | 0.42 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.2 | -31.2 | 177.3 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | R360 E361 D367 L368 | R360-S364 WeakPolarHBondContact O-CB 3.5Å; R360-S364 PolarHBondContact O-N 3.42Å; R360-S364 PolarHBondContact O-OG 2.86Å; E361-S364 PolarHBondContact O-OG 3.13Å; E361-S364 VanDerWaalsContact O-OG 3.11Å; S364-D367 PolarHBondContact O-N 2.88Å; S364-L368 PolarHBondContact O-N 3.01Å |
| 365 | R | 54.8 | Low | 56.6 | Low | 192 Ų | 192 | 104.5 Ų | 104.5 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 171.3 | -107.5 | 179.5 | 172 | 167.3 | -0.7 | 112.3 | E361 L362 D363 Q369 | E361-R365 WeakPolarHBondContact O-CB 3.46Å; E361-R365 PolarHBondContact O-N 3.36Å; L362-R365 PolarHBondContact O-N 3.04Å; D363-R365 PolarHBondContact O-N 2.77Å; R365-Q369 PolarHBondContact O-N 3.19Å |
| 366 | N | 56.2 | Low | 55.3 | Low | 89 Ų | 89 | 106.2 Ų | 106.2 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.9 | -39.2 | 176 | -72.6 | -22.6 | 0 | 0 | 0 | 111.4 | L362 D363 L368 Q369 V370 | L362-N366 PolarHBondContact O-N 3.41Å; L362-N366 VanDerWaalsContact O-N 3.09Å; L362-N366 PolarHBondContact O-ND2 3.18Å; D363-N366 PolarHBondContact O-N 2.72Å; N366-L368 VanDerWaalsContact C-N 3.34Å; N366-L368 PolarHBondContact O-N 3.34Å; N366-Q369 PolarHBondContact O-N 2.81Å; N366-V370 WeakPolarHBondContact O-CG2 3.36Å; N366-V370 PolarHBondContact O-N 3.4Å; N366-V370 VanDerWaalsContact O-N 3.13Å |
| 367 | D | 53.6 | Low | 54.2 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 66% | 0.658 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -34.8 | 177.2 | -79.1 | -18.4 | 0 | 0 | 0 | 113.1 | D363 S364 V370 S371 | D363-D367 PolarHBondContact O-N 3.1Å; S364-D367 PolarHBondContact O-N 2.88Å; D367-V370 PolarHBondContact O-N 2.83Å; D367-S371 PolarHBondContact O-N 2.88Å |
| 368 | L | 53.2 | Low | 52.6 | Low | 124 Ų | 124 | 110.7 Ų | 110.7 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 173.6 | -87.5 | 155.9 | 0 | 0 | 0 | 112.1 | S364 N366 V370 S371 | S364-L368 PolarHBondContact O-N 3.01Å; N366-L368 VanDerWaalsContact C-N 3.34Å; N366-L368 PolarHBondContact O-N 3.34Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 2.96Å; L368-S371 PolarHBondContact O-N 2.94Å; L368-S371 PolarHBondContact O-OG 3.25Å |
| 369 | Q | 49.2 | Very low | 51.5 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.6 | -27.7 | 179.8 | -136.6 | 172.4 | 4.7 | 0 | 0 | 113 | R365 N366 S371 Q373 | R365-Q369 PolarHBondContact O-N 3.19Å; N366-Q369 PolarHBondContact O-N 2.81Å; Q369-S371 VanDerWaalsContact C-N 3.32Å; Q369-Q373 PolarHBondContact O-N 3.29Å |
| 370 | V | 52.1 | Low | 50.1 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.2 | -30.4 | 174.2 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | N366 D367 L368 Q373 S374 | N366-V370 WeakPolarHBondContact O-CG2 3.36Å; N366-V370 PolarHBondContact O-N 3.4Å; N366-V370 VanDerWaalsContact O-N 3.13Å; D367-V370 PolarHBondContact O-N 2.83Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 2.96Å; V370-Q373 PolarHBondContact O-N 3.37Å; V370-S374 PolarHBondContact O-N 2.88Å |
| 371 | S | 50.2 | Low | 48.5 | Very low | 60 Ų | 60 | 113.2 Ų | 113.2 | 42% | 0.42 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.5 | -36.5 | 178.4 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | D367 L368 Q369 S374 | D367-S371 PolarHBondContact O-N 2.88Å; L368-S371 PolarHBondContact O-N 2.94Å; L368-S371 PolarHBondContact O-OG 3.25Å; Q369-S371 VanDerWaalsContact C-N 3.32Å; S371-S374 PolarHBondContact O-N 3.24Å; S371-S374 PolarHBondContact O-OG 3.38Å |
| 372 | E | 46.4 | Very low | 47 | Very low | 144 Ų | 144 | 112.4 Ų | 112.4 | 67% | 0.673 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71 | -33.5 | 175.1 | -72.7 | -170.5 | 157.8 | 0 | 0 | 113.2 | S374 L375 | E372-S374 VanDerWaalsContact C-N 3.33Å; E372-S374 PolarHBondContact O-N 3.34Å; E372-L375 PolarHBondContact O-N 3.26Å |
| 373 | Q | 46.3 | Very low | 45.8 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.5 | -23.8 | 178 | -71 | -177.4 | -4.4 | 0 | 0 | 113.4 | Q369 V370 L375 I376 T377 | Q369-Q373 PolarHBondContact O-N 3.29Å; V370-Q373 PolarHBondContact O-N 3.37Å; Q373-L375 VanDerWaalsContact C-N 3.28Å; Q373-L375 PolarHBondContact O-N 3.18Å; Q373-I376 PolarHBondContact O-N 3.28Å; Q373-T377 PolarHBondContact O-OG1 3.14Å |
| 374 | S | 47.6 | Very low | 44.2 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 56% | 0.559 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.1 | -26.1 | 176 | 74.2 | 0 | 0 | 0 | 0 | 113.3 | V370 S371 E372 | V370-S374 PolarHBondContact O-N 2.88Å; S371-S374 PolarHBondContact O-N 3.24Å; S371-S374 PolarHBondContact O-OG 3.38Å; E372-S374 VanDerWaalsContact C-N 3.33Å; E372-S374 PolarHBondContact O-N 3.34Å |
| 375 | L | 42.1 | Very low | 42.5 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.9 | -25.1 | 177.6 | -96.6 | 151.6 | 0 | 0 | 0 | 113.5 | E372 Q373 | E372-L375 PolarHBondContact O-N 3.26Å; Q373-L375 VanDerWaalsContact C-N 3.28Å; Q373-L375 PolarHBondContact O-N 3.18Å |
| 376 | I | 42.3 | Very low | 41.2 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -87.6 | -19 | -175.4 | -62.4 | 174.4 | 0 | 0 | 0 | 112.3 | Q373 | Q373-I376 PolarHBondContact O-N 3.28Å |
| 377 | T | 45.3 | Very low | 39.7 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 63% | 0.632 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -98.7 | -1.3 | -174 | -30 | 0 | 0 | 0 | 0 | 114.3 | Q373 V379 | Q373-T377 PolarHBondContact O-OG1 3.14Å; T377-V379 PolarHBondContact O-N 2.72Å |
| 378 | A | 34.3 | Very low | 38.5 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -75.6 | -6.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 379 | V | 42.1 | Very low | 37.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -95.2 | -8.2 | -178.3 | 177 | 0 | 0 | 0 | 0 | 113.3 | T377 | T377-V379 PolarHBondContact O-N 2.72Š|
| 380 | H | 32.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -130.1 | 126.8 | -178.9 | -69.2 | -62.4 | 0 | 0 | 0 | 113.2 | ||
| 381 | A | 30.4 | Very low | 34.8 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 89.1 | 66.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | N383 | A381-N383 PolarHBondContact O-N 3.26Š| ||
| 382 | S | 28.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -66.1 | 106.9 | 128.2 | -54.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 383 | N | 32.8 | Very low | 32.7 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -173.1 | 103 | 150 | -93.3 | -17.7 | 0 | 0 | 0 | 111.5 | A381 | A381-N383 PolarHBondContact O-N 3.26Š| ||
| 384 | Q | 27 | Very low | 31.8 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 51.1 | 113.8 | 136.9 | -61.9 | -178.6 | -4 | 0 | 0 | 121.1 | ||||
| 385 | Q | 25.9 | Very low | 30.8 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -12.5 | 128.9 | 145.9 | -61.5 | 172.6 | -18.3 | 0 | 0 | 117.4 | ||||
| 386 | E | 26.2 | Very low | 30.5 | Very low | 195 Ų | 195 | 143 Ų | 143 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | -168.8 | 152.1 | 113.7 | -112.3 | 175.5 | 174 | 0 | 0 | 112 | |||||
| 387 | S | 25.4 | Very low | 29.8 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | trans | -77.7 | 141.8 | -168.5 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 388 | D | 27.8 | Very low | 29 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -150 | 116.1 | 146.7 | -98.2 | -30.5 | 0 | 0 | 0 | 112 | ||||
| 389 | K | 26.7 | Very low | 28.5 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | trans | -88.4 | 116 | 173.9 | -78.3 | 174.5 | 176.6 | 172.1 | 0 | 108.6 | ||||
| 390 | L | 26 | Very low | 27.7 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 88% | 0.88 | 85% | 0.845 | S | S | * | * | trans | -124.7 | 106.2 | 165.6 | -143.5 | 83.5 | 0 | 0 | 0 | 111.4 | ||||
| 391 | S | 25.8 | Very low | 27.4 | Very low | 112 Ų | 112 | 162.1 Ų | 162.1 | 78% | 0.783 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 122.7 | 172.9 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 392 | T | 27.6 | Very low | 27.2 | Very low | 136 Ų | 136 | 169.4 Ų | 169.4 | 83% | 0.834 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 124.2 | 176.2 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 393 | K | 24.8 | Very low | 27.1 | Very low | 206 Ų | 206 | 168.5 Ų | 168.5 | 90% | 0.896 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 127.1 | 178.3 | -66.4 | 169.8 | 175.6 | 171.4 | 0 | 111.5 | ||
| 394 | T | 26 | Very low | 26.9 | Very low | 142 Ų | 142 | 172 Ų | 172 | 87% | 0.871 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 124.2 | 160.9 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 395 | S | 26.7 | Very low | 26.9 | Very low | 117 Ų | 117 | 172.4 Ų | 172.4 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 159.6 | -174.3 | 30.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 396 | P | 35.8 | Very low | 26.8 | Very low | 125 Ų | 125 | 175 Ų | 175 | 81% | 0.812 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 129.2 | -151.5 | 36 | -30.1 | 0 | 0 | 0 | 114.7 | ||
| 397 | S | 27.6 | Very low | 26.9 | Very low | 120 Ų | 120 | 171.4 Ų | 171.4 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -81 | 124.5 | 172.7 | 56 | 0 | 0 | 0 | 0 | 112.5 | K399 | S397-K399 PolarHBondContact O-N 3.46Š|
| 398 | K | 28.5 | Very low | 27 | Very low | 207 Ų | 207 | 172.6 Ų | 172.6 | 90% | 0.9 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 122.6 | -177.5 | -72.3 | 171.5 | 175.2 | 171.9 | 0 | 114.1 | R400 | K398-R400 PolarHBondContact O-N 2.75Š|
| 399 | K | 24.2 | Very low | 27.1 | Very low | 214 Ų | 214 | 170.1 Ų | 170.1 | 93% | 0.93 | 86% | 0.86 | S | S | * | * | trans | -62.7 | 109.3 | 167.7 | -79 | 173.7 | 175.6 | 170.2 | 0 | 111 | S397 | S397-K399 PolarHBondContact O-N 3.46Š| ||
| 400 | R | 26.1 | Very low | 27.1 | Very low | 243 Ų | 243 | 170.9 Ų | 170.9 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | -99.5 | 129 | 163.7 | -107 | 178.5 | 148.9 | 166 | -6.1 | 110.5 | K398 | K398-R400 PolarHBondContact O-N 2.75Š| ||
| 401 | K | 26.2 | Very low | 27.3 | Very low | 213 Ų | 213 | 168.5 Ų | 168.5 | 93% | 0.926 | 86% | 0.855 | S | S | * | * | trans | -56.4 | 130.5 | -169 | -74.1 | 173.4 | 172.7 | 175.7 | 0 | 113.3 | S403 | K401-S403 PolarHBondContact O-N 3.28Š| ||
| 402 | R | 24.9 | Very low | 27.6 | Very low | 251 Ų | 251 | 174.6 Ų | 174.6 | 95% | 0.947 | 86% | 0.86 | S | S | * | * | trans | -65.4 | 102.4 | 174.5 | -74.6 | 176 | 166.5 | 177.5 | -4.7 | 111 | ||||
| 403 | S | 27.3 | Very low | 27.8 | Very low | 99 Ų | 99 | 173 Ų | 173 | 69% | 0.692 | 86% | 0.855 | S | S | * | * | trans | -85.4 | 114 | 163.2 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | K401 K405 | K401-S403 PolarHBondContact O-N 3.28Å; S403-K405 PolarHBondContact O-N 3.17Å | ||
| 404 | K | 27.6 | Very low | 28.1 | Very low | 216 Ų | 216 | 174.8 Ų | 174.8 | 94% | 0.939 | 86% | 0.856 | S | S | * | * | trans | -53.2 | 103 | 174.1 | -70.1 | 172.7 | 175.9 | 173.6 | 0 | 110.7 | ||||
| 405 | K | 27.1 | Very low | 28.6 | Very low | 192 Ų | 192 | 177.1 Ų | 177.1 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | trans | -110.4 | 113.7 | 163.9 | -83.6 | -174 | 177.3 | 177 | 0 | 109.1 | S403 S407 | S403-K405 PolarHBondContact O-N 3.17Å; K405-S407 PolarHBondContact O-N 3.21Å | ||
| 406 | R | 25.4 | Very low | 29.2 | Very low | 243 Ų | 243 | 175.7 Ų | 175.7 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | trans | -42.3 | 121.6 | 175.7 | -82.9 | 169 | 153.8 | 162 | -7.6 | 111.2 | T408 | R406-T408 PolarHBondContact O-N 3.42Š| ||
| 407 | S | 28.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 174.9 Ų | 174.9 | 83% | 0.832 | 85% | 0.847 | S | S | * | * | trans | -59.5 | 100.7 | 171.2 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | K405 | K405-S407 PolarHBondContact O-N 3.21Š| ||
| 408 | T | 27.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 172.8 Ų | 172.8 | 76% | 0.761 | 83% | 0.829 | S | S | * | * | trans | -94.3 | 100.5 | 157.3 | 51.3 | 0 | 0 | 0 | 0 | 106.2 | R406 R410 | R406-T408 PolarHBondContact O-N 3.42Å; T408-R410 PolarHBondContact O-N 3.46Å | ||
| 409 | S | 28.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 166.4 Ų | 166.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 77.9 | 172.3 | 42.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 410 | R | 26.7 | Very low | 35.7 | Very low | 223 Ų | 223 | 159.9 Ų | 159.9 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -89.1 | 98.4 | 158.5 | -95.4 | -179.8 | 168.4 | 158.4 | -2.7 | 107 | T408 R412 | T408-R410 PolarHBondContact O-N 3.46Å; R410-R412 PolarHBondContact O-N 3.09Å | ||
| 411 | S | 30.8 | Very low | 38.4 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -45.6 | 103.5 | 163.1 | 40.9 | 0 | 0 | 0 | 0 | 109 | S413 | S411-S413 PolarHBondContact O-N 3.28Š| ||
| 412 | R | 31.4 | Very low | 41.3 | Very low | 239 Ų | 239 | 140.1 Ų | 140.1 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | trans | -69 | 91.5 | 166.2 | -76.6 | 179.7 | 173.8 | 171.5 | -3.3 | 106 | R410 R414 | R410-R412 PolarHBondContact O-N 3.09Å; R412-R414 PolarHBondContact O-N 3.41Å | ||
| 413 | S | 32 | Very low | 44 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | trans | -47.1 | 110.6 | 154.1 | 158.3 | 0 | 0 | 0 | 0 | 106.3 | S411 K415 | S411-S413 PolarHBondContact O-N 3.28Å; S413-K415 VanDerWaalsContact C-N 3.3Å; S413-K415 PolarHBondContact O-N 3.04Å | ||
| 414 | R | 32.7 | Very low | 46.7 | Very low | 244 Ų | 244 | 132.7 Ų | 132.7 | 92% | 0.921 | 66% | 0.664 | S | S | * | * | trans | -59.9 | 100.1 | 168 | -74 | 176.6 | 173.7 | 151.2 | -4.2 | 104.9 | R412 A416 | R412-R414 PolarHBondContact O-N 3.41Å; R414-A416 PolarHBondContact O-N 3.5Å | ||
| 415 | K | 34.6 | Very low | 49.5 | Very low | 191 Ų | 191 | 125 Ų | 125 | 83% | 0.83 | 63% | 0.634 | S | S | * | * | trans | -56.8 | 128.5 | 165.7 | -80.4 | -177.3 | 171.8 | -172.7 | 0 | 106 | S413 S417 | S413-K415 VanDerWaalsContact C-N 3.3Å; S413-K415 PolarHBondContact O-N 3.04Å; K415-S417 PolarHBondContact O-N 2.92Å | ||
| 416 | A | 39.4 | Very low | 52.4 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | trans | -43.3 | 132.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R414 T418 | R414-A416 PolarHBondContact O-N 3.5Å; A416-T418 PolarHBondContact O-N 3.43Å | ||
| 417 | S | 48.8 | Very low | 55.3 | Low | 107 Ų | 107 | 107 Ų | 107 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | -50.8 | 113.4 | 176 | 42.1 | 0 | 0 | 0 | 0 | 108.8 | K415 I419 | K415-S417 PolarHBondContact O-N 2.92Å; S417-I419 PolarHBondContact O-N 3.11Å; S417-I419 VanDerWaalsContact O-N 3.17Å | ||
| 418 | T | 56.8 | Low | 58.1 | Low | 76 Ų | 76 | 104.3 Ų | 104.3 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 118.5 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | A416 D458 | A416-T418 PolarHBondContact O-N 3.43Å; T418-D458 HydrophobicContact CG2-CB 4.41Å |
| 419 | I | 69.6 | Low | 61 | Low | 74 Ų | 74 | 98.7 Ų | 98.7 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 125.1 | -176.8 | -53.9 | 166.5 | 0 | 0 | 0 | 108.4 | S417 | S417-I419 PolarHBondContact O-N 3.11Å; S417-I419 VanDerWaalsContact O-N 3.17Å |
| 420 | R | 78.1 | Confident | 63.9 | Low | 76 Ų | 76 | 93 Ų | 93 | 29% | 0.287 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.2 | -178.9 | -55.1 | -160.4 | 157.4 | 158.2 | 1.1 | 110.3 | N452 D454 C456 D458 | R420-N452 PolarHBondContact NH1-ND2 3.26Å; R420-D454 IonicContact NH1-OD2 2.76Å; R420-D454 PolarHBondContact NH1-OD2 3.46Å; R420-C456 HydrophobicContact CB-CB 3.72Å; R420-D458 WeakPolarHBondContact CD-OD1 3.5Å; R420-D458 VanDerWaalsContact CG-OD1 3.22Å; R420-D458 WeakPolarHBondContact CG-OD1 3.43Å; R420-D458 IonicContact CZ-OD1 3.56Å; R420-D458 IonicContact NE-OD1 3.88Å; R420-D458 PolarHBondContact NE-OD1 3.31Å; R420-D458 IonicContact NE-OD2 2.65Å; R420-D458 IonicContact NH2-OD1 3.18Å; R420-D458 IonicContact NH2-OD2 3.53Å |
| 421 | I | 83 | Confident | 66.8 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.6 | -177.7 | -59.8 | 176.6 | 0 | 0 | 0 | 108.8 | F337 I340 D425 C456 I457 W459 | F337-I421 HydrophobicContact CB-CD1 3.57Å; F337-I421 HydrophobicContact CD1-CD1 3.33Å; F337-I421 HydrophobicContact CE1-CD1 4.21Å; F337-I421 HydrophobicContact CG-CD1 3.65Å; I340-I421 HydrophobicContact CG2-CG2 4.16Å; I421-D425 HydrophobicContact CG2-CB 3.83Å; I421-C456 CarbonylContact O-C 3.07Å; I421-C456 VanDerWaalsContact O-CA 3.26Å; I421-C456 WeakPolarHBondContact O-CA 3.46Å; I421-C456 WeakPolarHBondContact O-CB 3.25Å; I421-I457 PolarHBondContact N-O 2.98Å; I421-I457 VanDerWaalsContact N-O 3.11Å; I421-I457 PolarHBondContact O-N 2.94Å; I421-W459 HydrophobicContact CD1-CB 4.22Å; I421-W459 HydrophobicContact CD1-CG 3.93Å |
| 422 | P | 86 | Confident | 69.6 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 149.8 | 175.7 | 26 | -32.6 | 0 | 0 | 0 | 111.2 | L344 E424 D425 F426 | L344-P422 HydrophobicContact CD1-CG 4.29Å; P422-E424 VanDerWaalsContact C-N 3.29Å; P422-E424 PolarHBondContact O-N 2.89Å; P422-D425 HydrophobicContact CG-CB 4.1Å; P422-D425 VanDerWaalsContact CG-OD2 3.3Å; P422-D425 WeakPolarHBondContact CG-OD2 3.45Å; P422-D425 PolarHBondContact O-N 3.45Å; P422-F426 PolarHBondContact O-N 3.36Å |
| 423 | I | 82.9 | Confident | 72.2 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.4 | -32 | -171.8 | -171.1 | 156.4 | 0 | 0 | 0 | 114 | F426 I427 L446 G455 I457 | I423-F426 WeakPolarHBondContact O-CB 3.44Å; I423-F426 PolarHBondContact O-N 2.98Å; I423-I427 HydrophobicContact CG1-CD1 3.85Å; I423-I427 HydrophobicContact CG1-CG1 4.18Å; I423-I427 VanDerWaalsContact O-CG1 3.29Å; I423-I427 WeakPolarHBondContact O-CG1 3.34Å; I423-I427 PolarHBondContact O-N 3.08Å; I423-L446 HydrophobicContact CB-CD1 4.47Å; I423-L446 HydrophobicContact CD1-CB 3.66Å; I423-L446 HydrophobicContact CD1-CD1 3.73Å; I423-L446 HydrophobicContact CD1-CD2 4.07Å; I423-L446 HydrophobicContact CD1-CG 3.99Å; I423-G455 PolarHBondContact N-O 3.34Å; I423-I457 HydrophobicContact CB-CD1 4.43Å; I423-I457 HydrophobicContact CD1-CD1 4.15Å; I423-I457 HydrophobicContact CG1-CD1 4.09Å |
| 424 | E | 83.9 | Confident | 74.7 | Confident | 158 Ų | 158 | 74.8 Ų | 74.8 | 74% | 0.738 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 179.2 | -65.4 | 179.9 | 177.5 | 0 | 0 | 111.1 | P422 F426 I427 S428 | P422-E424 VanDerWaalsContact C-N 3.29Å; P422-E424 PolarHBondContact O-N 2.89Å; E424-F426 VanDerWaalsContact C-N 3.29Å; E424-F426 PolarHBondContact O-N 3.18Å; E424-I427 PolarHBondContact O-N 2.98Å; E424-S428 WeakPolarHBondContact O-CB 3.39Å; E424-S428 PolarHBondContact O-N 2.73Å |
| 425 | D | 86.6 | Confident | 77.1 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 173.6 | -72.1 | -20.8 | 0 | 0 | 0 | 111.5 | I340 I421 P422 S428 V429 | I340-D425 HydrophobicContact CG2-CB 4.24Å; I421-D425 HydrophobicContact CG2-CB 3.83Å; P422-D425 HydrophobicContact CG-CB 4.1Å; P422-D425 VanDerWaalsContact CG-OD2 3.3Å; P422-D425 WeakPolarHBondContact CG-OD2 3.45Å; P422-D425 PolarHBondContact O-N 3.45Å; D425-S428 WeakPolarHBondContact CA-OG 3.49Å; D425-S428 PolarHBondContact O-N 2.7Å; D425-S428 PolarHBondContact O-OG 2.98Å; D425-V429 VanDerWaalsContact O-CG2 3.25Å; D425-V429 WeakPolarHBondContact O-CG2 3.47Å; D425-V429 PolarHBondContact O-N 3.47Å |
| 426 | F | 87 | Confident | 79.4 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.4 | -179.2 | -94.8 | 0 | 0 | 0 | 112.3 | F337 P422 I423 E424 I430 I437 L445 I457 F462 | F337-F426 AromaticContact CE1-CD2 3.72Å; F337-F426 HydrophobicContact CE1-CD2 3.72Å; F337-F426 HydrophobicContact CE1-CE2 4.29Å; F337-F426 HydrophobicContact CE2-CD2 4.47Å; F337-F426 HydrophobicContact CE2-CE2 4.27Å; F337-F426 AromaticContact CZ-CD2 3.5Å; F337-F426 HydrophobicContact CZ-CD2 3.5Å; F337-F426 VanDerWaalsContact CZ-CD2 3.5Å; F337-F426 AromaticContact CZ-CE2 3.6Å; F337-F426 HydrophobicContact CZ-CE2 3.6Å; P422-F426 PolarHBondContact O-N 3.36Å; I423-F426 WeakPolarHBondContact O-CB 3.44Å; I423-F426 PolarHBondContact O-N 2.98Å; E424-F426 VanDerWaalsContact C-N 3.29Å; E424-F426 PolarHBondContact O-N 3.18Å; F426-I430 HydrophobicContact CD1-CD1 3.9Å; F426-I430 HydrophobicContact CD2-CD1 4.42Å; F426-I430 HydrophobicContact CE1-CD1 3.3Å; F426-I430 HydrophobicContact CE2-CD1 3.9Å; F426-I430 HydrophobicContact CG-CD1 4.43Å; F426-I430 HydrophobicContact CZ-CD1 3.31Å; F426-I430 WeakPolarHBondContact O-CG1 3.39Å; F426-I430 PolarHBondContact O-N 2.9Å; F426-I437 HydrophobicContact CE1-CD1 4.49Å; F426-L445 HydrophobicContact CE1-CD2 3.72Å; F426-L445 HydrophobicContact CZ-CD2 3.97Å; F426-I457 HydrophobicContact CB-CD1 4.34Å; F426-I457 HydrophobicContact CD1-CD1 3.72Å; F426-I457 HydrophobicContact CD2-CD1 4.47Å; F426-I457 HydrophobicContact CE1-CD1 4.07Å; F426-I457 HydrophobicContact CE2-CG2 4.33Å; F426-I457 HydrophobicContact CG-CD1 3.93Å; F426-F462 AromaticContact CE2-CD1 3.8Å; F426-F462 HydrophobicContact CE2-CD1 3.8Å; F426-F462 HydrophobicContact CE2-CE1 4.09Å; F426-F462 HydrophobicContact CE2-CG 4.09Å; F426-F462 AromaticContact CZ-CD1 3.79Å; F426-F462 HydrophobicContact CZ-CD1 3.79Å; F426-F462 AromaticContact CZ-CD2 3.97Å; F426-F462 HydrophobicContact CZ-CD2 3.97Å; F426-F462 AromaticContact CZ-CE1 3.8Å; F426-F462 HydrophobicContact CZ-CE1 3.8Å; F426-F462 AromaticContact CZ-CE2 3.99Å; F426-F462 HydrophobicContact CZ-CE2 3.99Å; F426-F462 AromaticContact CZ-CG 3.88Å; F426-F462 HydrophobicContact CZ-CG 3.88Å; F426-F462 AromaticContact CZ-CZ 3.9Å; F426-F462 HydrophobicContact CZ-CZ 3.9Å |
| 427 | I | 86.8 | Confident | 81.4 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 176.8 | -67.3 | 166.3 | 0 | 0 | 0 | 110 | I423 E424 V429 I430 S431 | I423-I427 HydrophobicContact CG1-CD1 3.85Å; I423-I427 HydrophobicContact CG1-CG1 4.18Å; I423-I427 VanDerWaalsContact O-CG1 3.29Å; I423-I427 WeakPolarHBondContact O-CG1 3.34Å; I423-I427 PolarHBondContact O-N 3.08Å; E424-I427 PolarHBondContact O-N 2.98Å; I427-V429 VanDerWaalsContact C-N 3.33Å; I427-V429 PolarHBondContact O-N 2.86Å; I427-I430 PolarHBondContact O-N 3.31Å; I427-I430 VanDerWaalsContact O-N 3.14Å; I427-S431 WeakPolarHBondContact O-CB 3.48Å; I427-S431 PolarHBondContact O-N 2.9Å; I427-S431 PolarHBondContact O-OG 3.16Å |
| 428 | S | 87.5 | Confident | 83 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 44% | 0.441 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | -178.9 | 77.8 | 0 | 0 | 0 | 0 | 111.7 | E424 D425 I430 S432 | E424-S428 WeakPolarHBondContact O-CB 3.39Å; E424-S428 PolarHBondContact O-N 2.73Å; D425-S428 WeakPolarHBondContact CA-OG 3.49Å; D425-S428 PolarHBondContact O-N 2.7Å; D425-S428 PolarHBondContact O-OG 2.98Å; S428-I430 PolarHBondContact O-N 3.49Å; S428-S432 VanDerWaalsContact O-CB 3.23Å; S428-S432 WeakPolarHBondContact O-CB 3.29Å; S428-S432 PolarHBondContact O-N 3.05Å; S428-S432 PolarHBondContact O-OG 2.75Å |
| 429 | V | 88.8 | Confident | 84.2 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | L333 R336 F337 I340 D425 I427 S432 L433 | L333-V429 HydrophobicContact CD2-CG1 3.88Å; R336-V429 HydrophobicContact CB-CG1 3.99Å; R336-V429 HydrophobicContact CB-CG2 4.39Å; F337-V429 HydrophobicContact CD1-CB 4.49Å; F337-V429 HydrophobicContact CD1-CG1 4.26Å; F337-V429 HydrophobicContact CD1-CG2 4.2Å; F337-V429 HydrophobicContact CE1-CB 3.83Å; F337-V429 HydrophobicContact CE1-CG1 3.74Å; F337-V429 HydrophobicContact CE1-CG2 3.97Å; F337-V429 HydrophobicContact CZ-CB 4.38Å; F337-V429 HydrophobicContact CZ-CG1 3.98Å; I340-V429 HydrophobicContact CD1-CG2 3.15Å; D425-V429 VanDerWaalsContact O-CG2 3.25Å; D425-V429 WeakPolarHBondContact O-CG2 3.47Å; D425-V429 PolarHBondContact O-N 3.47Å; I427-V429 VanDerWaalsContact C-N 3.33Å; I427-V429 PolarHBondContact O-N 2.86Å; V429-S432 WeakPolarHBondContact CA-OG 3.2Å; V429-S432 PolarHBondContact O-N 3.14Å; V429-S432 PolarHBondContact O-OG 3.13Å; V429-L433 PolarHBondContact O-N 2.63Å |
| 430 | I | 88.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.7 | -41.1 | -175.8 | -64.4 | 175.5 | 0 | 0 | 0 | 111.6 | W325 L333 F426 I427 S428 S432 L433 N434 G435 I437 F462 | W325-I430 HydrophobicContact CH2-CB 4.15Å; W325-I430 HydrophobicContact CH2-CG1 4.08Å; W325-I430 HydrophobicContact CH2-CG2 3.56Å; W325-I430 HydrophobicContact CZ2-CG2 4.26Å; W325-I430 HydrophobicContact CZ3-CB 4.45Å; W325-I430 HydrophobicContact CZ3-CD1 4.45Å; W325-I430 HydrophobicContact CZ3-CG1 4.09Å; W325-I430 HydrophobicContact CZ3-CG2 3.74Å; L333-I430 HydrophobicContact CD2-CG1 4.23Å; F426-I430 HydrophobicContact CD1-CD1 3.9Å; F426-I430 HydrophobicContact CD2-CD1 4.42Å; F426-I430 HydrophobicContact CE1-CD1 3.3Å; F426-I430 HydrophobicContact CE2-CD1 3.9Å; F426-I430 HydrophobicContact CG-CD1 4.43Å; F426-I430 HydrophobicContact CZ-CD1 3.31Å; F426-I430 WeakPolarHBondContact O-CG1 3.39Å; F426-I430 PolarHBondContact O-N 2.9Å; I427-I430 PolarHBondContact O-N 3.31Å; I427-I430 VanDerWaalsContact O-N 3.14Å; S428-I430 PolarHBondContact O-N 3.49Å; I430-S432 VanDerWaalsContact C-N 3.29Å; I430-S432 PolarHBondContact O-N 2.95Å; I430-L433 PolarHBondContact O-N 3.04Å; I430-L433 VanDerWaalsContact O-N 3.17Å; I430-N434 PolarHBondContact O-N 2.95Å; I430-G435 PolarHBondContact O-N 2.98Å; I430-I437 HydrophobicContact CB-CD1 3.66Å; I430-I437 HydrophobicContact CB-CG1 4.43Å; I430-I437 HydrophobicContact CD1-CD1 3.35Å; I430-I437 HydrophobicContact CG1-CD1 4.07Å; I430-I437 HydrophobicContact CG2-CB 4.32Å; I430-I437 HydrophobicContact CG2-CD1 3.27Å; I430-I437 HydrophobicContact CG2-CG1 3.55Å; I430-F462 HydrophobicContact CD1-CE1 4.43Å; I430-F462 HydrophobicContact CD1-CZ 4.35Å |
| 431 | S | 88.3 | Confident | 85.2 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | I427 L433 N434 | I427-S431 WeakPolarHBondContact O-CB 3.48Å; I427-S431 PolarHBondContact O-N 2.9Å; I427-S431 PolarHBondContact O-OG 3.16Å; S431-L433 PolarHBondContact O-N 3.17Å; S431-N434 PolarHBondContact O-N 3.05Å |
| 432 | S | 88.8 | Confident | 85 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -17.5 | 177.5 | 72.5 | 0 | 0 | 0 | 0 | 114.4 | R336 S428 V429 I430 | R336-S432 PolarHBondContact NH1-OG 2.84Å; S428-S432 VanDerWaalsContact O-CB 3.23Å; S428-S432 WeakPolarHBondContact O-CB 3.29Å; S428-S432 PolarHBondContact O-N 3.05Å; S428-S432 PolarHBondContact O-OG 2.75Å; V429-S432 WeakPolarHBondContact CA-OG 3.2Å; V429-S432 PolarHBondContact O-N 3.14Å; V429-S432 PolarHBondContact O-OG 3.13Å; I430-S432 VanDerWaalsContact C-N 3.29Å; I430-S432 PolarHBondContact O-N 2.95Å |
| 433 | L | 86.6 | Confident | 84.7 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 14.1 | 175.1 | -67.7 | 175.7 | 0 | 0 | 0 | 112.3 | W325 D332 L333 V429 I430 S431 G435 | W325-L433 HydrophobicContact CH2-CB 4.17Å; W325-L433 HydrophobicContact CH2-CD1 4.38Å; W325-L433 HydrophobicContact CZ2-CB 3.7Å; D332-L433 HydrophobicContact CB-CD1 4.15Å; D332-L433 HydrophobicContact CB-CD2 4.43Å; L333-L433 HydrophobicContact CD2-CD1 3.81Å; L333-L433 HydrophobicContact CG-CD1 4.23Å; V429-L433 PolarHBondContact O-N 2.63Å; I430-L433 PolarHBondContact O-N 3.04Å; I430-L433 VanDerWaalsContact O-N 3.17Å; S431-L433 PolarHBondContact O-N 3.17Å; L433-G435 PolarHBondContact O-N 2.83Å |
| 434 | N | 84.3 | Confident | 84.8 | Confident | 150 Ų | 150 | 61.3 Ų | 61.3 | 80% | 0.802 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.9 | -175.4 | -64.3 | -20.3 | 0 | 0 | 0 | 113.3 | I430 S431 | I430-N434 PolarHBondContact O-N 2.95Å; S431-N434 PolarHBondContact O-N 3.05Å |
| 435 | G | 83.6 | Confident | 84.6 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | trans | -72.6 | 154.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I430 L433 I437 | I430-G435 PolarHBondContact O-N 2.98Å; L433-G435 PolarHBondContact O-N 2.83Å; G435-I437 VanDerWaalsContact C-N 3.27Å; G435-I437 PolarHBondContact O-N 3.11Å | ||
| 436 | P | 83.1 | Confident | 84.2 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -79.3 | 70.4 | -177 | 33.9 | -36.2 | 0 | 0 | 0 | 111.4 | R321 L322 W325 | R321-P436 HydrophobicContact CG-CB 4.43Å; R321-P436 HydrophobicContact CG-CG 4.24Å; L322-P436 HydrophobicContact CD1-CG 4.3Å; W325-P436 HydrophobicContact CB-CG 4.11Å; W325-P436 VanDerWaalsContact CG-CD 3.48Å; W325-P436 HydrophobicContact CG-CG 4.15Å | ||
| 437 | I | 81.1 | Confident | 83.9 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.138 | 32% | 0.319 | C | S | . | . | trans | -117.4 | 129.2 | 177.3 | -66.4 | -166 | 0 | 0 | 0 | 111 | L322 F426 I430 G435 | L322-I437 HydrophobicContact CD1-CD1 4.4Å; L322-I437 HydrophobicContact CD1-CG1 4.05Å; F426-I437 HydrophobicContact CE1-CD1 4.49Å; I430-I437 HydrophobicContact CB-CD1 3.66Å; I430-I437 HydrophobicContact CB-CG1 4.43Å; I430-I437 HydrophobicContact CD1-CD1 3.35Å; I430-I437 HydrophobicContact CG1-CD1 4.07Å; I430-I437 HydrophobicContact CG2-CB 4.32Å; I430-I437 HydrophobicContact CG2-CD1 3.27Å; I430-I437 HydrophobicContact CG2-CG1 3.55Å; G435-I437 VanDerWaalsContact C-N 3.27Å; G435-I437 PolarHBondContact O-N 3.11Å | ||
| 438 | N | 82.9 | Confident | 83.6 | Confident | 109 Ų | 109 | 58 Ų | 58 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | trans | -113.2 | 162.2 | 167.5 | -65 | -6.5 | 0 | 0 | 0 | 109.1 | I440 I441 S442 | N438-I440 PolarHBondContact O-N 3.19Å; N438-I440 VanDerWaalsContact O-N 3.15Å; N438-I441 HydrophobicContact CB-CD1 4.26Å; N438-I441 HydrophobicContact CB-CG1 4.42Å; N438-I441 WeakPolarHBondContact O-CA 3.4Å; N438-I441 WeakPolarHBondContact O-CB 3.47Å; N438-I441 PolarHBondContact O-N 3.44Å; N438-S442 PolarHBondContact O-N 2.96Å | ||
| 439 | E | 81 | Confident | 83.1 | Confident | 135 Ų | 135 | 55.2 Ų | 55.2 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58 | -30.7 | 178.5 | -159 | -166.6 | 148.8 | 0 | 0 | 113.4 | S442 K443 | E439-S442 WeakPolarHBondContact CA-OG 3.23Å; E439-S442 PolarHBondContact O-OG 2.74Å; E439-K443 WeakPolarHBondContact O-CG 3.4Å; E439-K443 PolarHBondContact O-N 3.37Å; E439-K443 WeakPolarHBondContact OE1-CE 3.25Å; E439-K443 IonicContact OE1-NZ 3.91Å; E439-K443 PolarHBondContact OE1-NZ 3.47Å |
| 440 | I | 84 | Confident | 82.3 | Confident | 133 Ų | 133 | 59 Ų | 59 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 174.9 | -59.6 | 170.8 | 0 | 0 | 0 | 110.6 | N438 K443 T444 | N438-I440 PolarHBondContact O-N 3.19Å; N438-I440 VanDerWaalsContact O-N 3.15Å; I440-K443 PolarHBondContact O-N 3.04Å; I440-T444 WeakPolarHBondContact O-CG2 3.46Å; I440-T444 PolarHBondContact O-N 3.19Å; I440-T444 VanDerWaalsContact O-N 3.1Å; I440-T444 PolarHBondContact O-OG1 3.48Å |
| 441 | I | 84.1 | Confident | 81.2 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.7 | -38.4 | -178.3 | -64.9 | 171.1 | 0 | 0 | 0 | 110.5 | W318 L322 N438 T444 L445 | W318-I441 HydrophobicContact CB-CD1 4Å; W318-I441 HydrophobicContact CD2-CD1 4.36Å; W318-I441 HydrophobicContact CD2-CG1 4.11Å; W318-I441 HydrophobicContact CE3-CB 4.32Å; W318-I441 HydrophobicContact CE3-CD1 4.05Å; W318-I441 HydrophobicContact CE3-CG1 3.86Å; W318-I441 HydrophobicContact CE3-CG2 3.62Å; W318-I441 HydrophobicContact CG-CD1 4.38Å; W318-I441 HydrophobicContact CG-CG1 4.43Å; W318-I441 HydrophobicContact CH2-CG2 4.43Å; W318-I441 HydrophobicContact CZ3-CB 4.48Å; W318-I441 HydrophobicContact CZ3-CG1 4.46Å; W318-I441 HydrophobicContact CZ3-CG2 3.53Å; L322-I441 HydrophobicContact CD2-CG2 4.09Å; N438-I441 HydrophobicContact CB-CD1 4.26Å; N438-I441 HydrophobicContact CB-CG1 4.42Å; N438-I441 WeakPolarHBondContact O-CA 3.4Å; N438-I441 WeakPolarHBondContact O-CB 3.47Å; N438-I441 PolarHBondContact O-N 3.44Å; I441-T444 WeakPolarHBondContact CA-OG1 3.26Å; I441-T444 PolarHBondContact O-N 3.47Å; I441-T444 PolarHBondContact O-OG1 3.37Å; I441-L445 VanDerWaalsContact O-CB 3.25Å; I441-L445 WeakPolarHBondContact O-CB 3.42Å; I441-L445 PolarHBondContact O-N 3.5Å |
| 442 | S | 79.7 | Confident | 80.2 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 11% | 0.112 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 177 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | N438 E439 L445 L446 | N438-S442 PolarHBondContact O-N 2.96Å; E439-S442 WeakPolarHBondContact CA-OG 3.23Å; E439-S442 PolarHBondContact O-OG 2.74Å; S442-L445 PolarHBondContact O-N 3.33Å; S442-L446 WeakPolarHBondContact O-CB 3.11Å; S442-L446 PolarHBondContact O-N 3.32Å |
| 443 | K | 80 | Confident | 79.1 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.2 | -71.3 | 174.7 | -173.6 | 167.7 | 0 | 112.4 | E439 I440 L445 L446 T447 | E439-K443 WeakPolarHBondContact O-CG 3.4Å; E439-K443 PolarHBondContact O-N 3.37Å; E439-K443 WeakPolarHBondContact OE1-CE 3.25Å; E439-K443 IonicContact OE1-NZ 3.91Å; E439-K443 PolarHBondContact OE1-NZ 3.47Å; I440-K443 PolarHBondContact O-N 3.04Å; K443-L445 VanDerWaalsContact C-N 3.34Å; K443-L446 PolarHBondContact O-N 3.05Å; K443-T447 WeakPolarHBondContact O-CG2 3.4Å; K443-T447 PolarHBondContact O-N 3.1Å; K443-T447 PolarHBondContact O-OG1 3.41Å |
| 444 | T | 83.8 | Confident | 78.3 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 31% | 0.307 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | 176.8 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | I440 I441 T447 L448 | I440-T444 WeakPolarHBondContact O-CG2 3.46Å; I440-T444 PolarHBondContact O-N 3.19Å; I440-T444 VanDerWaalsContact O-N 3.1Å; I440-T444 PolarHBondContact O-OG1 3.48Å; I441-T444 WeakPolarHBondContact CA-OG1 3.26Å; I441-T444 PolarHBondContact O-N 3.47Å; I441-T444 PolarHBondContact O-OG1 3.37Å; T444-T447 PolarHBondContact O-OG1 3.04Å; T444-L448 VanDerWaalsContact O-CG 3.26Å; T444-L448 WeakPolarHBondContact O-CG 3.46Å; T444-L448 PolarHBondContact O-N 3.29Å |
| 445 | L | 81.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 177.9 | -164 | 129.2 | 0 | 0 | 0 | 111.9 | L322 F426 I441 S442 K443 L448 H449 I457 F462 | L322-L445 HydrophobicContact CD2-CD1 3.88Å; F426-L445 HydrophobicContact CE1-CD2 3.72Å; F426-L445 HydrophobicContact CZ-CD2 3.97Å; I441-L445 VanDerWaalsContact O-CB 3.25Å; I441-L445 WeakPolarHBondContact O-CB 3.42Å; I441-L445 PolarHBondContact O-N 3.5Å; S442-L445 PolarHBondContact O-N 3.33Å; K443-L445 VanDerWaalsContact C-N 3.34Å; L445-L448 PolarHBondContact O-N 3.4Å; L445-H449 WeakPolarHBondContact O-CB 3.42Å; L445-H449 PolarHBondContact O-CD2 2.92Å; L445-H449 PolarHBondContact O-N 2.59Å; L445-H449 VanDerWaalsContact O-N 3.08Å; L445-I457 HydrophobicContact CD2-CD1 3.55Å; L445-I457 HydrophobicContact CD2-CG1 4.27Å; L445-I457 HydrophobicContact CD2-CG2 4.27Å; L445-F462 HydrophobicContact CD1-CD2 3.73Å; L445-F462 HydrophobicContact CD1-CE2 3.54Å; L445-F462 HydrophobicContact CD2-CD2 4.32Å |
| 446 | L | 77.6 | Confident | 77.7 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.2 | -54.5 | 173.8 | -175.6 | 65.8 | 0 | 0 | 0 | 110.4 | I423 S442 K443 L448 H449 E450 | I423-L446 HydrophobicContact CB-CD1 4.47Å; I423-L446 HydrophobicContact CD1-CB 3.66Å; I423-L446 HydrophobicContact CD1-CD1 3.73Å; I423-L446 HydrophobicContact CD1-CD2 4.07Å; I423-L446 HydrophobicContact CD1-CG 3.99Å; S442-L446 WeakPolarHBondContact O-CB 3.11Å; S442-L446 PolarHBondContact O-N 3.32Å; K443-L446 PolarHBondContact O-N 3.05Å; L446-L448 PolarHBondContact O-N 2.9Å; L446-H449 PolarHBondContact O-N 2.93Å; L446-E450 HydrophobicContact CD1-CG 4.02Å; L446-E450 WeakPolarHBondContact CD2-OE1 2.94Å; L446-E450 HydrophobicContact CG-CG 4.02Å; L446-E450 VanDerWaalsContact CG-OE1 3.25Å; L446-E450 WeakPolarHBondContact CG-OE1 3.39Å; L446-E450 WeakPolarHBondContact O-CB 3.25Å; L446-E450 VanDerWaalsContact O-CG 3.26Å; L446-E450 WeakPolarHBondContact O-CG 3.42Å; L446-E450 PolarHBondContact O-N 3.25Å |
| 447 | T | 80.6 | Confident | 77.7 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.9 | -31.7 | -178.3 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | K443 T444 | K443-T447 WeakPolarHBondContact O-CG2 3.4Å; K443-T447 PolarHBondContact O-N 3.1Å; K443-T447 PolarHBondContact O-OG1 3.41Å; T444-T447 PolarHBondContact O-OG1 3.04Å |
| 448 | L | 79.5 | Confident | 77.8 | Confident | 72 Ų | 72 | 63 Ų | 63 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.4 | -26.4 | 176.5 | -69.7 | 174.4 | 0 | 0 | 0 | 113.7 | T444 L445 L446 K467 | T444-L448 VanDerWaalsContact O-CG 3.26Å; T444-L448 WeakPolarHBondContact O-CG 3.46Å; T444-L448 PolarHBondContact O-N 3.29Å; L445-L448 PolarHBondContact O-N 3.4Å; L446-L448 PolarHBondContact O-N 2.9Å; L448-K467 PolarHBondContact O-NZ 3.13Å |
| 449 | H | 77 | Confident | 77.9 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -100.9 | -17.7 | -177.7 | -79.6 | -92.6 | 0 | 0 | 0 | 114.3 | L445 L446 K451 I457 | L445-H449 WeakPolarHBondContact O-CB 3.42Å; L445-H449 PolarHBondContact O-CD2 2.92Å; L445-H449 PolarHBondContact O-N 2.59Å; L445-H449 VanDerWaalsContact O-N 3.08Å; L446-H449 PolarHBondContact O-N 2.93Å; H449-K451 PolarHBondContact O-N 2.88Å; H449-I457 HydrophobicContact CB-CG1 4.3Å; H449-I457 HydrophobicContact CB-CG2 4.19Å |
| 450 | E | 72.8 | Confident | 78.1 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | trans | -55.9 | 119.3 | 173.1 | -84.8 | 174.1 | 171.9 | 0 | 0 | 111.6 | L446 | L446-E450 HydrophobicContact CD1-CG 4.02Å; L446-E450 WeakPolarHBondContact CD2-OE1 2.94Å; L446-E450 HydrophobicContact CG-CG 4.02Å; L446-E450 VanDerWaalsContact CG-OE1 3.25Å; L446-E450 WeakPolarHBondContact CG-OE1 3.39Å; L446-E450 WeakPolarHBondContact O-CB 3.25Å; L446-E450 VanDerWaalsContact O-CG 3.26Å; L446-E450 WeakPolarHBondContact O-CG 3.42Å; L446-E450 PolarHBondContact O-N 3.25Å | ||
| 451 | K | 66.1 | Low | 78.2 | Confident | 105 Ų | 105 | 54 Ų | 54 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -109.9 | -32.6 | 170.5 | -71.4 | 173.8 | -173.1 | 151.9 | 0 | 112.8 | H449 D458 E461 | H449-K451 PolarHBondContact O-N 2.88Å; K451-D458 IonicContact NZ-OD2 2.95Å; K451-D458 PolarHBondContact NZ-OD2 2.79Å; K451-E461 WeakPolarHBondContact CE-OE2 3.44Å; K451-E461 IonicContact NZ-OE1 2.82Å; K451-E461 IonicContact NZ-OE2 2.9Å; K451-E461 PolarHBondContact NZ-OE2 2.86Å |
| 452 | N | 67.1 | Low | 78.3 | Confident | 102 Ų | 102 | 53.2 Ų | 53.2 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -131.3 | 6.8 | -168.8 | -64.2 | -11 | 0 | 0 | 0 | 113.7 | R420 D454 | R420-N452 PolarHBondContact NH1-ND2 3.26Å; N452-D454 VanDerWaalsContact CB-CG 3.49Å; N452-D454 VanDerWaalsContact CB-OD1 3.25Å; N452-D454 WeakPolarHBondContact CB-OD1 3.34Å; N452-D454 WeakPolarHBondContact CB-OD2 3.28Å; N452-D454 PolarHBondContact ND2-OD2 3.01Å; N452-D454 PolarHBondContact O-N 3.33Å |
| 453 | A | 64.7 | Low | 78.7 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 74% | 0.736 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 61.6 | 22.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | G455 | A453-G455 PolarHBondContact O-N 3.08Š|
| 454 | D | 71 | Confident | 79 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | trans | -71.6 | -7 | -179.3 | -57 | -23.3 | 0 | 0 | 0 | 114 | R420 N452 C456 | R420-D454 IonicContact NH1-OD2 2.76Å; R420-D454 PolarHBondContact NH1-OD2 3.46Å; N452-D454 VanDerWaalsContact CB-CG 3.49Å; N452-D454 VanDerWaalsContact CB-OD1 3.25Å; N452-D454 WeakPolarHBondContact CB-OD1 3.34Å; N452-D454 WeakPolarHBondContact CB-OD2 3.28Å; N452-D454 PolarHBondContact ND2-OD2 3.01Å; N452-D454 PolarHBondContact O-N 3.33Å; D454-C456 HydrophobicContact CB-CB 4.42Å; D454-C456 PolarHBondContact O-N 3.29Å; D454-C456 PolarHBondContact O-SG 3.23Å; D454-C456 VanDerWaalsContact O-SG 3.34Å | ||
| 455 | G | 75 | Confident | 78.9 | Confident | 26 Ų | 26 | 48 Ų | 48 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 67.5 | 9.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | I423 A453 | I423-G455 PolarHBondContact N-O 3.34Å; A453-G455 PolarHBondContact O-N 3.08Å |
| 456 | C | 80.1 | Confident | 79.1 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.8 | -174.5 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | R420 I421 D454 | R420-C456 HydrophobicContact CB-CB 3.72Å; I421-C456 CarbonylContact O-C 3.07Å; I421-C456 VanDerWaalsContact O-CA 3.26Å; I421-C456 WeakPolarHBondContact O-CA 3.46Å; I421-C456 WeakPolarHBondContact O-CB 3.25Å; D454-C456 HydrophobicContact CB-CB 4.42Å; D454-C456 PolarHBondContact O-N 3.29Å; D454-C456 PolarHBondContact O-SG 3.23Å; D454-C456 VanDerWaalsContact O-SG 3.34Å |
| 457 | I | 82.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.6 | -178.2 | -63.2 | 159.5 | 0 | 0 | 0 | 110.2 | I421 I423 F426 L445 H449 W459 F462 | I421-I457 PolarHBondContact N-O 2.98Å; I421-I457 VanDerWaalsContact N-O 3.11Å; I421-I457 PolarHBondContact O-N 2.94Å; I423-I457 HydrophobicContact CB-CD1 4.43Å; I423-I457 HydrophobicContact CD1-CD1 4.15Å; I423-I457 HydrophobicContact CG1-CD1 4.09Å; F426-I457 HydrophobicContact CB-CD1 4.34Å; F426-I457 HydrophobicContact CD1-CD1 3.72Å; F426-I457 HydrophobicContact CD2-CD1 4.47Å; F426-I457 HydrophobicContact CE1-CD1 4.07Å; F426-I457 HydrophobicContact CE2-CG2 4.33Å; F426-I457 HydrophobicContact CG-CD1 3.93Å; L445-I457 HydrophobicContact CD2-CD1 3.55Å; L445-I457 HydrophobicContact CD2-CG1 4.27Å; L445-I457 HydrophobicContact CD2-CG2 4.27Å; H449-I457 HydrophobicContact CB-CG1 4.3Å; H449-I457 HydrophobicContact CB-CG2 4.19Å; I457-W459 PolarHBondContact O-N 3.13Å; I457-F462 HydrophobicContact CG2-CB 4.36Å |
| 458 | D | 84.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 97.6 | 167.8 | -69.2 | -26.9 | 0 | 0 | 0 | 108.7 | T418 R420 K451 E460 E461 F462 | T418-D458 HydrophobicContact CG2-CB 4.41Å; R420-D458 WeakPolarHBondContact CD-OD1 3.5Å; R420-D458 VanDerWaalsContact CG-OD1 3.22Å; R420-D458 WeakPolarHBondContact CG-OD1 3.43Å; R420-D458 IonicContact CZ-OD1 3.56Å; R420-D458 IonicContact NE-OD1 3.88Å; R420-D458 PolarHBondContact NE-OD1 3.31Å; R420-D458 IonicContact NE-OD2 2.65Å; R420-D458 IonicContact NH2-OD1 3.18Å; R420-D458 IonicContact NH2-OD2 3.53Å; K451-D458 IonicContact NZ-OD2 2.95Å; K451-D458 PolarHBondContact NZ-OD2 2.79Å; D458-E460 VanDerWaalsContact C-N 3.34Å; D458-E460 PolarHBondContact O-N 2.69Å; D458-E461 HydrophobicContact CB-CB 3.8Å; D458-E461 WeakPolarHBondContact O-CB 3.4Å; D458-E461 PolarHBondContact O-N 3.46Å; D458-F462 PolarHBondContact O-N 2.91Å |
| 459 | W | 84.5 | Confident | 79.8 | Confident | 23 Ų | 23 | 49 Ų | 49 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -34 | -174.5 | 64.9 | -93 | 0 | 0 | 0 | 113.4 | R334 F337 I338 I421 I457 E461 F462 L463 | R334-W459 HydrophobicContact CG-CH2 4.36Å; R334-W459 HydrophobicContact CG-CZ3 3.78Å; F337-W459 HydrophobicContact CB-CD2 4.05Å; F337-W459 HydrophobicContact CB-CE3 4.5Å; F337-W459 HydrophobicContact CB-CG 4.11Å; F337-W459 HydrophobicContact CD2-CB 3.82Å; F337-W459 HydrophobicContact CD2-CD2 4.23Å; F337-W459 HydrophobicContact CD2-CE3 4.21Å; F337-W459 HydrophobicContact CD2-CG 4.1Å; F337-W459 HydrophobicContact CE2-CB 4.11Å; F337-W459 HydrophobicContact CG-CB 4.15Å; F337-W459 HydrophobicContact CG-CD2 4.43Å; F337-W459 HydrophobicContact CG-CG 4.17Å; I338-W459 HydrophobicContact CG1-CZ2 4.38Å; I421-W459 HydrophobicContact CD1-CB 4.22Å; I421-W459 HydrophobicContact CD1-CG 3.93Å; I457-W459 PolarHBondContact O-N 3.13Å; W459-E461 VanDerWaalsContact C-N 3.28Å; W459-E461 PolarHBondContact O-N 2.84Å; W459-F462 WeakPolarHBondContact O-CB 3.3Å; W459-F462 PolarHBondContact O-N 3.5Å; W459-L463 HydrophobicContact CE3-CD1 3.85Å; W459-L463 HydrophobicContact CZ3-CD1 3.94Å; W459-L463 WeakPolarHBondContact O-CG 3.47Å; W459-L463 PolarHBondContact O-N 3.45Å |
| 460 | E | 85.1 | Confident | 80.1 | Confident | 111 Ų | 111 | 52.9 Ų | 52.9 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 173.2 | -71.3 | -170.2 | 160.1 | 0 | 0 | 111.7 | D458 T464 | D458-E460 VanDerWaalsContact C-N 3.34Å; D458-E460 PolarHBondContact O-N 2.69Å; E460-T464 WeakPolarHBondContact O-CG2 3.34Å |
| 461 | E | 85.4 | Confident | 80.5 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 178.5 | -166.8 | 172.6 | -153 | 0 | 0 | 110.7 | K451 D458 W459 T464 K467 | K451-E461 WeakPolarHBondContact CE-OE2 3.44Å; K451-E461 IonicContact NZ-OE1 2.82Å; K451-E461 IonicContact NZ-OE2 2.9Å; K451-E461 PolarHBondContact NZ-OE2 2.86Å; D458-E461 HydrophobicContact CB-CB 3.8Å; D458-E461 WeakPolarHBondContact O-CB 3.4Å; D458-E461 PolarHBondContact O-N 3.46Å; W459-E461 VanDerWaalsContact C-N 3.28Å; W459-E461 PolarHBondContact O-N 2.84Å; E461-T464 WeakPolarHBondContact O-CB 3.46Å; E461-T464 PolarHBondContact O-N 3.27Å; E461-T464 VanDerWaalsContact O-N 3.11Å; E461-T464 PolarHBondContact O-OG1 2.93Å; E461-K467 VanDerWaalsContact CD-NZ 3.26Å; E461-K467 HydrophobicContact CG-CD 4.06Å; E461-K467 WeakPolarHBondContact OE1-CE 3.5Å; E461-K467 IonicContact OE1-NZ 3.81Å; E461-K467 PolarHBondContact OE1-NZ 3.05Å; E461-K467 WeakPolarHBondContact OE2-CE 3.44Å; E461-K467 IonicContact OE2-NZ 3.73Å; E461-K467 PolarHBondContact OE2-NZ 3.24Å |
| 462 | F | 87.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 173.2 | 165.5 | -107.9 | 0 | 0 | 0 | 111.8 | L322 F426 I430 L445 I457 D458 W459 T464 G465 Y468 | L322-F462 HydrophobicContact CD1-CZ 4.43Å; L322-F462 HydrophobicContact CD2-CE2 4.13Å; L322-F462 HydrophobicContact CG-CE2 4.37Å; L322-F462 HydrophobicContact CG-CZ 4.38Å; F426-F462 AromaticContact CE2-CD1 3.8Å; F426-F462 HydrophobicContact CE2-CD1 3.8Å; F426-F462 HydrophobicContact CE2-CE1 4.09Å; F426-F462 HydrophobicContact CE2-CG 4.09Å; F426-F462 AromaticContact CZ-CD1 3.79Å; F426-F462 HydrophobicContact CZ-CD1 3.79Å; F426-F462 AromaticContact CZ-CD2 3.97Å; F426-F462 HydrophobicContact CZ-CD2 3.97Å; F426-F462 AromaticContact CZ-CE1 3.8Å; F426-F462 HydrophobicContact CZ-CE1 3.8Å; F426-F462 AromaticContact CZ-CE2 3.99Å; F426-F462 HydrophobicContact CZ-CE2 3.99Å; F426-F462 AromaticContact CZ-CG 3.88Å; F426-F462 HydrophobicContact CZ-CG 3.88Å; F426-F462 AromaticContact CZ-CZ 3.9Å; F426-F462 HydrophobicContact CZ-CZ 3.9Å; I430-F462 HydrophobicContact CD1-CE1 4.43Å; I430-F462 HydrophobicContact CD1-CZ 4.35Å; L445-F462 HydrophobicContact CD1-CD2 3.73Å; L445-F462 HydrophobicContact CD1-CE2 3.54Å; L445-F462 HydrophobicContact CD2-CD2 4.32Å; I457-F462 HydrophobicContact CG2-CB 4.36Å; D458-F462 PolarHBondContact O-N 2.91Å; W459-F462 WeakPolarHBondContact O-CB 3.3Å; W459-F462 PolarHBondContact O-N 3.5Å; F462-T464 PolarHBondContact O-N 3.08Å; F462-T464 VanDerWaalsContact O-N 3.08Å; F462-G465 PolarHBondContact O-N 2.88Å; F462-Y468 AromaticContact CD2-CE1 3.72Å; F462-Y468 HydrophobicContact CD2-CE1 3.72Å; F462-Y468 AromaticContact CE2-CE1 3.93Å; F462-Y468 HydrophobicContact CE2-CE1 3.93Å; F462-Y468 WeakPolarHBondContact O-CE1 3.33Å; F462-Y468 PolarHBondContact O-OH 3.39Å |
| 463 | L | 86.9 | Confident | 82.1 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -19.4 | 178.1 | -68.8 | 178 | 0 | 0 | 0 | 113.5 | L333 R334 W459 G465 | L333-L463 HydrophobicContact CD1-CD2 3.95Å; R334-L463 HydrophobicContact CG-CD1 4.02Å; W459-L463 HydrophobicContact CE3-CD1 3.85Å; W459-L463 HydrophobicContact CZ3-CD1 3.94Å; W459-L463 WeakPolarHBondContact O-CG 3.47Å; W459-L463 PolarHBondContact O-N 3.45Å; L463-G465 VanDerWaalsContact C-N 3.32Å |
| 464 | T | 85.6 | Confident | 83.1 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.8 | 175.5 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | E460 E461 F462 K466 | E460-T464 WeakPolarHBondContact O-CG2 3.34Å; E461-T464 WeakPolarHBondContact O-CB 3.46Å; E461-T464 PolarHBondContact O-N 3.27Å; E461-T464 VanDerWaalsContact O-N 3.11Å; E461-T464 PolarHBondContact O-OG1 2.93Å; F462-T464 PolarHBondContact O-N 3.08Å; F462-T464 VanDerWaalsContact O-N 3.08Å; T464-K466 PolarHBondContact O-N 3.1Å |
| 465 | G | 83.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | 67 | -4.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | F462 L463 K467 L469 | F462-G465 PolarHBondContact O-N 2.88Å; L463-G465 VanDerWaalsContact C-N 3.32Å; G465-K467 VanDerWaalsContact C-N 3.26Å; G465-K467 PolarHBondContact O-N 3.14Å; G465-L469 VanDerWaalsContact O-CB 3.26Å; G465-L469 WeakPolarHBondContact O-CB 3.41Å; G465-L469 PolarHBondContact O-N 2.87Å | ||
| 466 | K | 84.4 | Confident | 84.2 | Confident | 139 Ų | 139 | 48.7 Ų | 48.7 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19 | -167.4 | -69 | 174.8 | -174 | 165.4 | 0 | 115.1 | T464 L474 | T464-K466 PolarHBondContact O-N 3.1Å; K466-L474 HydrophobicContact CG-CD1 3.98Å |
| 467 | K | 83.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -37.5 | -176.4 | -81.4 | -179.6 | 153 | -177.5 | 0 | 113.1 | L448 E461 G465 | L448-K467 PolarHBondContact O-NZ 3.13Å; E461-K467 VanDerWaalsContact CD-NZ 3.26Å; E461-K467 HydrophobicContact CG-CD 4.06Å; E461-K467 WeakPolarHBondContact OE1-CE 3.5Å; E461-K467 IonicContact OE1-NZ 3.81Å; E461-K467 PolarHBondContact OE1-NZ 3.05Å; E461-K467 WeakPolarHBondContact OE2-CE 3.44Å; E461-K467 IonicContact OE2-NZ 3.73Å; E461-K467 PolarHBondContact OE2-NZ 3.24Å; G465-K467 VanDerWaalsContact C-N 3.26Å; G465-K467 PolarHBondContact O-N 3.14Å |
| 468 | Y | 84 | Confident | 84.4 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -3.3 | -175.2 | 63.8 | -98.3 | 0 | 0 | 0 | 113.3 | A319 F462 | A319-Y468 HydrophobicContact CB-CD2 4.09Å; F462-Y468 AromaticContact CD2-CE1 3.72Å; F462-Y468 HydrophobicContact CD2-CE1 3.72Å; F462-Y468 AromaticContact CE2-CE1 3.93Å; F462-Y468 HydrophobicContact CE2-CE1 3.93Å; F462-Y468 WeakPolarHBondContact O-CE1 3.33Å; F462-Y468 PolarHBondContact O-OH 3.39Å |
| 469 | L | 84.5 | Confident | 84 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -131.5 | 136.4 | 179.8 | -167.5 | 64.1 | 0 | 0 | 0 | 112 | A319 I320 Y323 G465 Y473 L474 | A319-L469 HydrophobicContact CB-CD1 4.24Å; I320-L469 HydrophobicContact CB-CD1 4.48Å; I320-L469 HydrophobicContact CG1-CD1 3.68Å; Y323-L469 HydrophobicContact CD1-CD2 3.38Å; Y323-L469 HydrophobicContact CD2-CD2 4.2Å; Y323-L469 HydrophobicContact CE1-CD2 4.04Å; Y323-L469 HydrophobicContact CG-CD2 3.45Å; Y323-L469 VanDerWaalsContact CG-CD2 3.45Å; G465-L469 VanDerWaalsContact O-CB 3.26Å; G465-L469 WeakPolarHBondContact O-CB 3.41Å; G465-L469 PolarHBondContact O-N 2.87Å; L469-Y473 HydrophobicContact CD1-CD2 4.48Å; L469-Y473 HydrophobicContact CD1-CG 4.36Å; L469-L474 HydrophobicContact CB-CD2 4.48Å; L469-L474 HydrophobicContact CD2-CD2 4.13Å |
| 470 | N | 83.7 | Confident | 82.9 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | trans | -63 | 137.9 | 174.4 | -176.5 | -22.2 | 0 | 0 | 0 | 111.4 | N472 Y473 | N470-N472 PolarHBondContact O-N 3.35Å; N470-N472 PolarHBondContact OD1-N 3.44Å; N470-Y473 HydrophobicContact CB-CD2 3.9Å; N470-Y473 HydrophobicContact CB-CE2 4.12Å; N470-Y473 PolarHBondContact O-N 3.36Å | ||
| 471 | K | 81.9 | Confident | 81.5 | Confident | 152 Ų | 152 | 66.3 Ų | 66.3 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -23.2 | -177.2 | -63.4 | 176.6 | -174.4 | 168.6 | 0 | 114.7 | Y473 L474 | K471-Y473 VanDerWaalsContact C-N 3.31Å; K471-L474 HydrophobicContact CB-CD1 4.38Å; K471-L474 HydrophobicContact CG-CD1 4.37Å |
| 472 | N | 83.2 | Confident | 79.7 | Confident | 98 Ų | 98 | 73.4 Ų | 73.4 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -23.5 | 178.8 | -71.1 | -18.6 | 0 | 0 | 0 | 114.2 | Q270 N470 A477 | Q270-N472 PolarHBondContact NE2-O 3.25Å; Q270-N472 PolarHBondContact OE1-O 3.15Å; N470-N472 PolarHBondContact O-N 3.35Å; N470-N472 PolarHBondContact OD1-N 3.44Å; N472-A477 WeakPolarHBondContact O-CB 3.45Å |
| 473 | Y | 83 | Confident | 77.6 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -11.8 | -177.3 | -60.9 | -93.2 | 0 | 0 | 0 | 113.3 | Q270 R271 I320 L469 N470 K471 | Q270-Y473 HydrophobicContact CB-CD1 3.86Å; Q270-Y473 HydrophobicContact CB-CE1 3.79Å; Q270-Y473 HydrophobicContact CG-CD1 4.17Å; Q270-Y473 HydrophobicContact CG-CE1 4.03Å; Q270-Y473 WeakPolarHBondContact O-CE1 3.47Å; R271-Y473 PolarHBondContact NH2-O 3.23Å; I320-Y473 HydrophobicContact CD1-CD1 3.71Å; I320-Y473 HydrophobicContact CD1-CE1 3.64Å; I320-Y473 HydrophobicContact CD1-CG 4.45Å; I320-Y473 HydrophobicContact CG1-CD1 4.03Å; I320-Y473 HydrophobicContact CG1-CE1 4.42Å; I320-Y473 HydrophobicContact CG1-CG 4.39Å; L469-Y473 HydrophobicContact CD1-CD2 4.48Å; L469-Y473 HydrophobicContact CD1-CG 4.36Å; N470-Y473 HydrophobicContact CB-CD2 3.9Å; N470-Y473 HydrophobicContact CB-CE2 4.12Å; N470-Y473 PolarHBondContact O-N 3.36Å; K471-Y473 VanDerWaalsContact C-N 3.31Å |
| 474 | L | 85.7 | Confident | 75.2 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -65.6 | 149.6 | 179 | -63.3 | 174.6 | 0 | 0 | 0 | 111.4 | Y323 K466 L469 K471 S476 A477 F478 | Y323-L474 HydrophobicContact CD2-CD2 4.29Å; Y323-L474 HydrophobicContact CE1-CB 4.49Å; Y323-L474 HydrophobicContact CE1-CD2 3.97Å; Y323-L474 HydrophobicContact CE2-CD2 3.63Å; Y323-L474 VanDerWaalsContact CZ-CD2 3.42Å; K466-L474 HydrophobicContact CG-CD1 3.98Å; L469-L474 HydrophobicContact CB-CD2 4.48Å; L469-L474 HydrophobicContact CD2-CD2 4.13Å; K471-L474 HydrophobicContact CB-CD1 4.38Å; K471-L474 HydrophobicContact CG-CD1 4.37Å; L474-S476 PolarHBondContact O-N 2.72Å; L474-S476 VanDerWaalsContact O-N 3.1Å; L474-A477 WeakPolarHBondContact O-CB 3.31Å; L474-A477 PolarHBondContact O-N 3.18Å; L474-F478 WeakPolarHBondContact O-CD2 3.47Å |
| 475 | V | 85.2 | Confident | 73 | Confident | 39 Ų | 39 | 91.9 Ų | 91.9 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -52.9 | -36.6 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.7 | F234 Y323 I327 A477 F478 E479 | F234-V475 HydrophobicContact CD1-CG2 4.33Å; F234-V475 HydrophobicContact CE1-CG2 3.66Å; F234-V475 HydrophobicContact CZ-CG2 3.8Å; Y323-V475 HydrophobicContact CE1-CG2 4.22Å; Y323-V475 PolarHBondContact OH-N 2.98Å; Y323-V475 VanDerWaalsContact OH-N 3.15Å; I327-V475 HydrophobicContact CD1-CG2 3.32Å; I327-V475 HydrophobicContact CG1-CG2 4.38Å; V475-A477 PolarHBondContact O-N 3.21Å; V475-F478 WeakPolarHBondContact O-CA 3.31Å; V475-F478 WeakPolarHBondContact O-CB 3.44Å; V475-F478 PolarHBondContact O-N 3.04Å; V475-E479 PolarHBondContact O-N 2.77Å |
| 476 | S | 83.6 | Confident | 70.7 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -59 | -19.9 | 175.9 | 68.4 | 0 | 0 | 0 | 0 | 114.9 | L474 F478 | L474-S476 PolarHBondContact O-N 2.72Å; L474-S476 VanDerWaalsContact O-N 3.1Å; S476-F478 VanDerWaalsContact C-N 3.28Å |
| 477 | A | 83.7 | Confident | 68.1 | Low | 23 Ų | 23 | 104 Ų | 104 | 19% | 0.19 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -78.6 | -14.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K266 N472 L474 V475 | K266-A477 PolarHBondContact NZ-O 3.44Å; N472-A477 WeakPolarHBondContact O-CB 3.45Å; L474-A477 WeakPolarHBondContact O-CB 3.31Å; L474-A477 PolarHBondContact O-N 3.18Å; V475-A477 PolarHBondContact O-N 3.21Å |
| 478 | F | 82.8 | Confident | 65.7 | Low | 12 Ų | 12 | 112.2 Ų | 112.2 | 5% | 0.053 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -17 | 178.8 | -60 | -86.1 | 0 | 0 | 0 | 113.5 | L230 F234 M263 K266 F267 L474 V475 S476 K480 | L230-F478 HydrophobicContact CD1-CD1 4.48Å; L230-F478 HydrophobicContact CD2-CB 3.95Å; L230-F478 HydrophobicContact CD2-CD1 4.36Å; L230-F478 HydrophobicContact CD2-CG 4.4Å; F234-F478 HydrophobicContact CE2-CD2 4.42Å; F234-F478 AromaticContact CZ-CD2 3.7Å; F234-F478 HydrophobicContact CZ-CD2 3.7Å; F234-F478 AromaticContact CZ-CE2 3.93Å; F234-F478 HydrophobicContact CZ-CE2 3.93Å; F234-F478 HydrophobicContact CZ-CG 4.24Å; M263-F478 HydrophobicContact CE-CB 3.85Å; M263-F478 HydrophobicContact CE-CD1 3.76Å; M263-F478 HydrophobicContact CE-CG 4.24Å; M263-F478 VanDerWaalsContact CE-O 3.23Å; M263-F478 WeakPolarHBondContact CE-O 3.27Å; K266-F478 HydrophobicContact CB-CE1 4.4Å; K266-F478 HydrophobicContact CD-CE1 4.16Å; K266-F478 HydrophobicContact CG-CE1 4.12Å; F267-F478 HydrophobicContact CB-CD1 4.38Å; F267-F478 HydrophobicContact CB-CE1 3.63Å; F267-F478 HydrophobicContact CB-CZ 4.07Å; F267-F478 HydrophobicContact CD2-CE1 4.04Å; F267-F478 HydrophobicContact CD2-CE2 4.21Å; F267-F478 AromaticContact CD2-CZ 3.72Å; F267-F478 HydrophobicContact CD2-CZ 3.72Å; F267-F478 HydrophobicContact CG-CE1 4.36Å; F267-F478 HydrophobicContact CG-CZ 4.39Å; L474-F478 WeakPolarHBondContact O-CD2 3.47Å; V475-F478 WeakPolarHBondContact O-CA 3.31Å; V475-F478 WeakPolarHBondContact O-CB 3.44Å; V475-F478 PolarHBondContact O-N 3.04Å; S476-F478 VanDerWaalsContact C-N 3.28Å; F478-K480 PolarHBondContact O-N 2.75Å |
| 479 | E | 75.7 | Confident | 63.3 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 61% | 0.607 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -67.8 | 128.3 | 172.4 | -66.3 | 179.9 | 177.7 | 0 | 0 | 110.4 | V475 K481 | V475-E479 PolarHBondContact O-N 2.77Å; E479-K481 PolarHBondContact O-N 3.45Å |
| 480 | K | 63.2 | Low | 60.5 | Low | 191 Ų | 191 | 125.6 Ų | 125.6 | 83% | 0.83 | 61% | 0.607 | S | S | * | * | trans | -55.5 | 107.5 | 173.3 | -73.6 | -178.1 | -179.1 | 174.7 | 0 | 108.1 | F478 K482 | F478-K480 PolarHBondContact O-N 2.75Å; K480-K482 PolarHBondContact O-N 2.78Å | ||
| 481 | K | 55 | Low | 58.1 | Low | 190 Ų | 190 | 124.7 Ų | 124.7 | 83% | 0.826 | 62% | 0.618 | S | S | * | * | trans | -53.5 | 108.1 | 177.4 | -75.4 | -179.7 | -179.7 | 171.1 | 0 | 107.9 | E479 G483 | E479-K481 PolarHBondContact O-N 3.45Å; K481-G483 WeakPolarHBondContact O-CA 3.46Å; K481-G483 PolarHBondContact O-N 3.29Å | ||
| 482 | K | 46.8 | Very low | 55.7 | Low | 203 Ų | 203 | 128.1 Ų | 128.1 | 88% | 0.883 | 63% | 0.633 | S | S | * | * | trans | -51.6 | 108.4 | 172.6 | -75.5 | -176.5 | 178.6 | 173.2 | 0 | 106.5 | K480 K484 | K480-K482 PolarHBondContact O-N 2.78Å; K482-K484 PolarHBondContact O-N 3.24Å | ||
| 483 | G | 44.1 | Very low | 53.2 | Low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | trans | -48.6 | 116.5 | -163 | 0 | 0 | 0 | 0 | 0 | 110.5 | K481 K485 | K481-G483 WeakPolarHBondContact O-CA 3.46Å; K481-G483 PolarHBondContact O-N 3.29Å; G483-K485 PolarHBondContact O-N 3.02Å | ||
| 484 | K | 37.3 | Very low | 51.1 | Low | 202 Ų | 202 | 129.4 Ų | 129.4 | 88% | 0.878 | 67% | 0.666 | S | S | * | * | trans | -61.6 | 95.6 | 162.6 | -79.8 | -176.4 | 178.6 | 176.4 | 0 | 105 | K482 K486 | K482-K484 PolarHBondContact O-N 3.24Å; K484-K486 PolarHBondContact O-N 3.26Å | ||
| 485 | K | 37.8 | Very low | 48.8 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | trans | -45.6 | 112 | 172.7 | -81.9 | -173.9 | 174.1 | -176.7 | 0 | 106.5 | G483 K487 | G483-K485 PolarHBondContact O-N 3.02Å; K485-K487 PolarHBondContact O-N 3.27Å | ||
| 486 | K | 35.6 | Very low | 46.7 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | -46.6 | 118 | 174.5 | -86.6 | 179.7 | 173.2 | 176.3 | 0 | 106.1 | K484 R488 | K484-K486 PolarHBondContact O-N 3.26Å; K486-R488 PolarHBondContact O-N 3.2Å | ||
| 487 | K | 30 | Very low | 44.6 | Very low | 196 Ų | 196 | 154.7 Ų | 154.7 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -61.8 | 91.2 | 175.2 | -79.5 | -178 | 176.4 | 177.6 | 0 | 106.8 | K485 K489 | K485-K487 PolarHBondContact O-N 3.27Å; K487-K489 PolarHBondContact O-N 3.15Å | ||
| 488 | R | 32.9 | Very low | 42.4 | Very low | 240 Ų | 240 | 163.7 Ų | 163.7 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -61.9 | 129 | 160.6 | -81.4 | -174.1 | 147.4 | 174.2 | -6.5 | 106.6 | K486 G490 | K486-R488 PolarHBondContact O-N 3.2Å; R488-G490 PolarHBondContact O-N 3.44Å; R488-G490 VanDerWaalsContact O-N 3.09Å | ||
| 489 | K | 33 | Very low | 40.6 | Very low | 214 Ų | 214 | 169.7 Ų | 169.7 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -51.1 | 114.8 | -179.1 | -78.7 | 178.8 | 172.7 | 178.6 | 0 | 109.5 | K487 G491 | K487-K489 PolarHBondContact O-N 3.15Å; K489-G491 PolarHBondContact O-N 3.07Å |
| 490 | G | 27.4 | Very low | 38.8 | Very low | 80 Ų | 80 | 168.1 Ų | 168.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 67.6 | 14.5 | 131.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | R488 K492 | R488-G490 PolarHBondContact O-N 3.44Å; R488-G490 VanDerWaalsContact O-N 3.09Å; G490-K492 PolarHBondContact O-N 3.45Å | ||
| 491 | G | 31.4 | Very low | 38 | Very low | 69 Ų | 69 | 166.5 Ų | 166.5 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -76.2 | 115.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | K489 G493 | K489-G491 PolarHBondContact O-N 3.07Å; G491-G493 PolarHBondContact O-N 3.12Å | ||
| 492 | K | 32.8 | Very low | 37.4 | Very low | 223 Ų | 223 | 163.7 Ų | 163.7 | 97% | 0.97 | 81% | 0.81 | S | S | * | * | trans | -63.6 | 64.7 | 176.1 | -90.7 | 177.3 | 172.9 | 172 | 0 | 111.4 | G490 | G490-K492 PolarHBondContact O-N 3.45Š| ||
| 493 | G | 30.7 | Very low | 37.3 | Very low | 61 Ų | 61 | 160.9 Ų | 160.9 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | -95.2 | 105.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | G491 K495 | G491-G493 PolarHBondContact O-N 3.12Å; G493-K495 PolarHBondContact O-N 3.09Å; G493-K495 VanDerWaalsContact O-N 3.09Å | ||
| 494 | S | 38.9 | Very low | 37.5 | Very low | 109 Ų | 109 | 161.1 Ų | 161.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -43 | 117.5 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | R496 | S494-R496 VanDerWaalsContact C-N 3.26Å; S494-R496 PolarHBondContact O-N 3.35Å | ||
| 495 | K | 37.4 | Very low | 38.2 | Very low | 184 Ų | 184 | 155.6 Ų | 155.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -62.6 | 92.5 | 172.6 | -74.7 | 178.1 | 179.8 | 173.5 | 0 | 107.5 | G493 R497 | G493-K495 PolarHBondContact O-N 3.09Å; G493-K495 VanDerWaalsContact O-N 3.09Å; K495-R497 VanDerWaalsContact C-N 3.3Å; K495-R497 PolarHBondContact O-N 2.95Å | ||
| 496 | R | 40 | Very low | 39.1 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -58 | 99.4 | 165.7 | -72 | -175.9 | 173.7 | 177 | -1.5 | 106.7 | S494 K498 | S494-R496 VanDerWaalsContact C-N 3.26Å; S494-R496 PolarHBondContact O-N 3.35Å; R496-K498 PolarHBondContact O-N 3.28Å | ||
| 497 | R | 40 | Very low | 40.1 | Very low | 221 Ų | 221 | 141.5 Ų | 141.5 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -53.8 | 130.4 | 166.7 | -66.8 | -179.3 | 178.4 | -176.3 | -0.2 | 105.3 | K495 I499 | K495-R497 VanDerWaalsContact C-N 3.3Å; K495-R497 PolarHBondContact O-N 2.95Å; R497-I499 PolarHBondContact O-N 3.11Å | ||
| 498 | K | 37.6 | Very low | 41.6 | Very low | 211 Ų | 211 | 137.2 Ų | 137.2 | 92% | 0.917 | 72% | 0.718 | S | S | * | * | trans | -64.1 | 87.7 | 164.7 | -90 | -175.8 | 171 | -171.5 | 0 | 105.2 | R496 P500 | R496-K498 PolarHBondContact O-N 3.28Å; K498-P500 WeakPolarHBondContact O-CD 3.45Å | ||
| 499 | I | 45 | Very low | 42.8 | Very low | 139 Ų | 139 | 133 Ų | 133 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -62.6 | 120.5 | 164 | -57.4 | 165.1 | 0 | 0 | 0 | 103 | R497 M501 | R497-I499 PolarHBondContact O-N 3.11Å; I499-M501 PolarHBondContact O-N 2.94Å; I499-M501 VanDerWaalsContact O-N 3.07Å | ||
| 500 | P | 38.1 | Very low | 44 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 62% | 0.623 | 67% | 0.668 | S | S | * | * | trans | -51.5 | 120.2 | 168.1 | -16 | 28.7 | 0 | 0 | 0 | 105.9 | K498 D502 | K498-P500 WeakPolarHBondContact O-CD 3.45Å; P500-D502 PolarHBondContact O-N 3.44Å | ||
| 501 | M | 45.4 | Very low | 45.8 | Very low | 158 Ų | 158 | 122.9 Ų | 122.9 | 78% | 0.778 | 65% | 0.646 | S | S | * | * | trans | -71.1 | 97.1 | 166.5 | -80 | -178.6 | -60.5 | 0 | 0 | 103.9 | I499 I503 | I499-M501 PolarHBondContact O-N 2.94Å; I499-M501 VanDerWaalsContact O-N 3.07Å; M501-I503 PolarHBondContact O-N 2.89Å | ||
| 502 | D | 42.6 | Very low | 47.3 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | trans | -51.5 | 127.5 | 163.9 | -63.8 | -28 | 0 | 0 | 0 | 105.4 | P500 C504 | P500-D502 PolarHBondContact O-N 3.44Å; D502-C504 VanDerWaalsContact C-N 3.28Å; D502-C504 PolarHBondContact O-N 3.27Å | ||
| 503 | I | 46.4 | Very low | 48.9 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 74% | 0.738 | 61% | 0.611 | S | S | * | * | trans | -59.1 | 103.5 | 177.1 | -58.2 | 169.8 | 0 | 0 | 0 | 104 | M501 T505 | M501-I503 PolarHBondContact O-N 2.89Å; I503-T505 HydrophobicContact CG2-CG2 4.07Å; I503-T505 PolarHBondContact O-N 3.48Å; I503-T505 PolarHBondContact O-OG1 3.23Å | ||
| 504 | C | 47.3 | Very low | 50.5 | Low | 70 Ų | 70 | 118.5 Ų | 118.5 | 47% | 0.473 | 58% | 0.583 | S | S | . | * | trans | -63.6 | 87.7 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 106.1 | D502 Y588 N619 | D502-C504 VanDerWaalsContact C-N 3.28Å; D502-C504 PolarHBondContact O-N 3.27Å; C504-Y588 HydrophobicContact CB-CE2 4.04Å; C504-Y588 WeakPolarHBondContact O-CD2 3.49Å; C504-Y588 WeakPolarHBondContact O-CE2 3.46Å; C504-N619 PolarHBondContact O-ND2 3.3Å; C504-N619 VanDerWaalsContact O-ND2 3.1Å | ||
| 505 | T | 52.1 | Low | 51.6 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -97.2 | 138.7 | 161.3 | 45.4 | 0 | 0 | 0 | 0 | 104.7 | I503 P507 | I503-T505 HydrophobicContact CG2-CG2 4.07Å; I503-T505 PolarHBondContact O-N 3.48Å; I503-T505 PolarHBondContact O-OG1 3.23Å; T505-P507 WeakPolarHBondContact O-CD 3.45Å; T505-P507 VanDerWaalsContact O-N 3.12Å |
| 506 | L | 56.1 | Low | 53 | Low | 44 Ų | 44 | 110.6 Ų | 110.6 | 23% | 0.23 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -52.7 | 122 | 173.1 | -84.2 | 138.7 | 0 | 0 | 0 | 107.7 | S508 A510 M522 R584 Y588 | L506-S508 PolarHBondContact O-N 3.31Å; L506-A510 HydrophobicContact CD2-CB 4.17Å; L506-M522 HydrophobicContact CD1-CE 4.26Å; L506-R584 HydrophobicContact CD1-CB 4.03Å; L506-R584 WeakPolarHBondContact CD1-O 3.27Å; L506-Y588 HydrophobicContact CG-CE2 4.34Å |
| 507 | P | 57.4 | Low | 54.4 | Low | 57 Ų | 57 | 102.4 Ų | 102.4 | 37% | 0.37 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 143.1 | 177.6 | -22.6 | 31.3 | 0 | 0 | 0 | 109.4 | T505 E509 A510 | T505-P507 WeakPolarHBondContact O-CD 3.45Å; T505-P507 VanDerWaalsContact O-N 3.12Å; P507-E509 PolarHBondContact O-N 3.37Å; P507-A510 WeakPolarHBondContact O-CB 3.33Å; P507-A510 PolarHBondContact O-N 3.37Å |
| 508 | S | 60.4 | Low | 55.9 | Low | 105 Ų | 105 | 92.3 Ų | 92.3 | 73% | 0.734 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -54.1 | -28.6 | 179.8 | -51.9 | 0 | 0 | 0 | 0 | 112.3 | L506 A510 I511 | L506-S508 PolarHBondContact O-N 3.31Å; S508-A510 VanDerWaalsContact C-N 3.31Å; S508-A510 PolarHBondContact O-N 3.29Å; S508-I511 PolarHBondContact O-N 3.21Å |
| 509 | E | 58.3 | Low | 57.7 | Low | 152 Ų | 152 | 84.7 Ų | 84.7 | 71% | 0.71 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -68.3 | -22.9 | 175.6 | -60.4 | 111.7 | -178.4 | 0 | 0 | 114.6 | P507 I511 | P507-E509 PolarHBondContact O-N 3.37Å; E509-I511 VanDerWaalsContact C-N 3.27Å |
| 510 | A | 59.5 | Low | 59 | Low | 10 Ų | 10 | 79.4 Ų | 79.4 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -81.9 | -7.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L506 P507 S508 Y512 F750 | L506-A510 HydrophobicContact CD2-CB 4.17Å; P507-A510 WeakPolarHBondContact O-CB 3.33Å; P507-A510 PolarHBondContact O-N 3.37Å; S508-A510 VanDerWaalsContact C-N 3.31Å; S508-A510 PolarHBondContact O-N 3.29Å; A510-Y512 PolarHBondContact O-N 3.42Å; A510-F750 HydrophobicContact CB-CD1 4.23Å; A510-F750 HydrophobicContact CB-CD2 4.31Å; A510-F750 HydrophobicContact CB-CE1 4.24Å; A510-F750 HydrophobicContact CB-CE2 4.32Å; A510-F750 HydrophobicContact CB-CG 4.27Å; A510-F750 HydrophobicContact CB-CZ 4.28Å |
| 511 | I | 64.1 | Low | 60.4 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -94.2 | 83 | -179.4 | -52.9 | 175.6 | 0 | 0 | 0 | 108.4 | S508 E509 R513 | S508-I511 PolarHBondContact O-N 3.21Å; E509-I511 VanDerWaalsContact C-N 3.27Å; I511-R513 PolarHBondContact O-N 3.26Å |
| 512 | Y | 63.2 | Low | 61.7 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 17% | 0.169 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 134.1 | 178.5 | -54.8 | -65.3 | 0 | 0 | 0 | 111.5 | A510 I521 F750 T751 P752 L756 | A510-Y512 PolarHBondContact O-N 3.42Å; Y512-I521 PolarHBondContact O-N 2.92Å; Y512-I521 VanDerWaalsContact O-N 3.11Å; Y512-F750 VanDerWaalsContact OH-C 3.3Å; Y512-F750 WeakPolarHBondContact OH-CB 3.31Å; Y512-T751 VanDerWaalsContact OH-C 3.22Å; Y512-T751 PolarHBondContact OH-O 2.78Å; Y512-P752 HydrophobicContact CD1-CB 3.54Å; Y512-P752 HydrophobicContact CD1-CG 3.98Å; Y512-P752 VanDerWaalsContact CE1-CA 3.44Å; Y512-P752 HydrophobicContact CE1-CB 3.47Å; Y512-P752 VanDerWaalsContact CE1-CB 3.47Å; Y512-P752 HydrophobicContact CE1-CG 3.79Å; Y512-P752 HydrophobicContact CG-CB 4.12Å; Y512-P752 VanDerWaalsContact CZ-CA 3.46Å; Y512-L756 HydrophobicContact CG-CD2 4.34Å |
| 513 | R | 66 | Low | 63.2 | Low | 204 Ų | 204 | 69 Ų | 69 | 77% | 0.77 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 143.9 | 166 | -72.7 | -164.3 | -177.7 | -124.2 | 5.6 | 109.7 | I511 | I511-R513 PolarHBondContact O-N 3.26Š|
| 514 | R | 64.6 | Low | 64.5 | Low | 14 Ų | 14 | 62.3 Ų | 62.3 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 156.2 | 176.9 | -62.6 | 171.5 | 172 | -86.5 | -4.1 | 110.6 | D516 P519 I521 Y523 Y579 | R514-D516 VanDerWaalsContact C-N 3.27Å; R514-D516 WeakPolarHBondContact CB-OD1 3.19Å; R514-D516 PolarHBondContact O-N 3.49Å; R514-P519 WeakPolarHBondContact CD-O 3.42Å; R514-P519 WeakPolarHBondContact CG-O 3.46Å; R514-P519 PolarHBondContact NE-O 3.22Å; R514-I521 PolarHBondContact NH2-O 3.06Å; R514-Y523 PolarHBondContact NE-O 3.1Å; R514-Y523 VanDerWaalsContact NE-O 3.13Å; R514-Y523 PolarHBondContact NH2-O 3.36Å; R514-Y579 PolarHBondContact NH1-OH 3.23Å; R514-Y579 PolarHBondContact NH2-OH 3.11Å |
| 515 | A | 62.4 | Low | 65.6 | Low | 67 Ų | 67 | 60.4 Ų | 60.4 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G517 | A515-G517 VanDerWaalsContact C-N 3.27Å; A515-G517 PolarHBondContact O-N 3.22Å |
| 516 | D | 65.7 | Low | 66.5 | Low | 60 Ų | 60 | 60.1 Ų | 60.1 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.9 | -179 | 68.8 | -23.1 | 0 | 0 | 0 | 114 | R514 G518 Y561 | R514-D516 VanDerWaalsContact C-N 3.27Å; R514-D516 WeakPolarHBondContact CB-OD1 3.19Å; R514-D516 PolarHBondContact O-N 3.49Å; D516-G518 VanDerWaalsContact C-N 3.27Å; D516-G518 PolarHBondContact O-N 3.03Å; D516-G518 PolarHBondContact OD1-N 3Å; D516-G518 VanDerWaalsContact OD1-N 3.08Å; D516-Y561 PolarHBondContact OD2-OH 3.5Å |
| 517 | G | 70.9 | Confident | 66.9 | Low | 68 Ų | 68 | 61.9 Ų | 61.9 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 78.4 | 6.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A515 | A515-G517 VanDerWaalsContact C-N 3.27Å; A515-G517 PolarHBondContact O-N 3.22Å |
| 518 | G | 70.4 | Confident | 67.4 | Low | 8 Ų | 8 | 62.4 Ų | 62.4 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | trans | -71.8 | 178.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D516 Y561 | D516-G518 VanDerWaalsContact C-N 3.27Å; D516-G518 PolarHBondContact O-N 3.03Å; D516-G518 PolarHBondContact OD1-N 3Å; D516-G518 VanDerWaalsContact OD1-N 3.08Å; G518-Y561 WeakPolarHBondContact CA-OH 3.5Å | ||
| 519 | P | 74.8 | Confident | 67.6 | Low | 52 Ų | 52 | 62.2 Ų | 62.2 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -54.5 | 165.5 | 170.1 | -23.5 | 34.9 | 0 | 0 | 0 | 112.4 | R514 Y523 Y561 | R514-P519 WeakPolarHBondContact CD-O 3.42Å; R514-P519 WeakPolarHBondContact CG-O 3.46Å; R514-P519 PolarHBondContact NE-O 3.22Å; P519-Y523 HydrophobicContact CB-CD2 4.12Å; P519-Y523 HydrophobicContact CB-CG 4.1Å; P519-Y561 HydrophobicContact CG-CD1 4.18Å; P519-Y561 HydrophobicContact CG-CD2 3.63Å; P519-Y561 HydrophobicContact CG-CE2 4.15Å; P519-Y561 HydrophobicContact CG-CG 3.65Å |
| 520 | S | 72.5 | Confident | 68.1 | Low | 27 Ų | 27 | 56.1 Ų | 56.1 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | trans | -53.8 | 158.3 | -177.4 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | M522 Y523 | S520-M522 PolarHBondContact O-N 3.19Å; S520-Y523 PolarHBondContact O-N 2.93Å | ||
| 521 | I | 68.5 | Low | 68.6 | Low | 30 Ų | 30 | 58 Ų | 58 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -21.7 | -176.8 | -160.6 | 158.1 | 0 | 0 | 0 | 115.4 | Y512 R514 Y523 Y579 L756 P757 | Y512-I521 PolarHBondContact O-N 2.92Å; Y512-I521 VanDerWaalsContact O-N 3.11Å; R514-I521 PolarHBondContact NH2-O 3.06Å; I521-Y523 PolarHBondContact O-N 3.45Å; I521-Y579 HydrophobicContact CG1-CD1 4.4Å; I521-Y579 HydrophobicContact CG1-CE1 4.45Å; I521-L756 HydrophobicContact CD1-CD2 4.08Å; I521-P757 VanDerWaalsContact CD1-CD 3.5Å; I521-P757 HydrophobicContact CD1-CG 3.52Å; I521-P757 HydrophobicContact CG1-CG 3.82Å |
| 522 | M | 71.5 | Confident | 69.3 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 16% | 0.163 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | 173.5 | -59.3 | -62.5 | -177.3 | 0 | 0 | 114.4 | L506 S520 F564 T583 R584 | L506-M522 HydrophobicContact CD1-CE 4.26Å; S520-M522 PolarHBondContact O-N 3.19Å; M522-F564 WeakPolarHBondContact O-CB 3.37Å; M522-F564 PolarHBondContact O-N 3.23Å; M522-T583 HydrophobicContact SD-CG2 3.75Å; M522-R584 WeakPolarHBondContact CE-O 3.45Å |
| 523 | Y | 75.8 | Confident | 69.8 | Low | 105 Ų | 105 | 61 Ų | 61 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.6 | -178.7 | -72.5 | -93.6 | 0 | 0 | 0 | 110.2 | R514 P519 S520 I521 I562 | R514-Y523 PolarHBondContact NE-O 3.1Å; R514-Y523 VanDerWaalsContact NE-O 3.13Å; R514-Y523 PolarHBondContact NH2-O 3.36Å; P519-Y523 HydrophobicContact CB-CD2 4.12Å; P519-Y523 HydrophobicContact CB-CG 4.1Å; S520-Y523 PolarHBondContact O-N 2.93Å; I521-Y523 PolarHBondContact O-N 3.45Å; Y523-I562 CarbonylContact C-O 3.55Å; Y523-I562 VanDerWaalsContact CA-O 3.25Å; Y523-I562 WeakPolarHBondContact CA-O 3.22Å |
| 524 | I | 72.4 | Confident | 70.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 141.1 | 177.5 | -46.3 | 175.3 | 0 | 0 | 0 | 109.1 | K526 Y561 I562 F564 A567 L575 Y579 | I524-K526 PolarHBondContact O-N 3.39Å; I524-Y561 CarbonylContact O-C 3.52Å; I524-Y561 WeakPolarHBondContact O-CA 3.47Å; I524-I562 PolarHBondContact N-O 2.98Å; I524-I562 PolarHBondContact O-N 3.06Å; I524-F564 HydrophobicContact CD1-CB 4.18Å; I524-F564 HydrophobicContact CD1-CD2 3.11Å; I524-F564 HydrophobicContact CD1-CE2 3.47Å; I524-F564 VanDerWaalsContact CD1-CE2 3.47Å; I524-F564 HydrophobicContact CD1-CG 3.8Å; I524-F564 HydrophobicContact CD1-CZ 4.44Å; I524-F564 HydrophobicContact CG1-CB 4.14Å; I524-F564 HydrophobicContact CG1-CD2 3.45Å; I524-F564 VanDerWaalsContact CG1-CD2 3.45Å; I524-F564 HydrophobicContact CG1-CE2 4.18Å; I524-F564 HydrophobicContact CG1-CG 4.16Å; I524-A567 HydrophobicContact CD1-CB 4.33Å; I524-L575 HydrophobicContact CG2-CB 3.66Å; I524-L575 HydrophobicContact CG2-CD1 4.2Å; I524-L575 HydrophobicContact CG2-CG 4.48Å; I524-Y579 HydrophobicContact CG2-CE2 3.95Å |
| 525 | P | 70.8 | Confident | 71.2 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 20% | 0.195 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 122.4 | 166.6 | 23.4 | -32.3 | 0 | 0 | 0 | 109.8 | E527 Q560 Y561 L575 Y579 | P525-E527 PolarHBondContact O-N 3.02Å; P525-Q560 CarbonylContact C-O 3.45Å; P525-Y561 HydrophobicContact CB-CD1 4.25Å; P525-Y561 HydrophobicContact CB-CE1 4.15Å; P525-L575 WeakPolarHBondContact O-CD1 3.26Å; P525-Y579 WeakPolarHBondContact CD-OH 3.44Å |
| 526 | K | 72.1 | Confident | 72.1 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 111 | 173.7 | -174.6 | -178.8 | 179.6 | -177 | 0 | 107.5 | I524 I528 Q560 I562 | I524-K526 PolarHBondContact O-N 3.39Å; K526-I528 HydrophobicContact CD-CD1 4.25Å; K526-I528 HydrophobicContact CD-CG1 4.2Å; K526-I528 HydrophobicContact CG-CG1 4.06Å; K526-I528 PolarHBondContact O-N 2.9Å; K526-Q560 HydrophobicContact CB-CB 4.25Å; K526-Q560 PolarHBondContact N-O 3.13Å; K526-I562 HydrophobicContact CB-CB 4.19Å; K526-I562 HydrophobicContact CB-CG2 4.06Å; K526-I562 HydrophobicContact CG-CG2 4.48Å |
| 527 | E | 64.1 | Low | 72.7 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | trans | -78.5 | 116.9 | 172.2 | -68.6 | -163.3 | 155 | 0 | 0 | 109.4 | P525 L575 R794 | P525-E527 PolarHBondContact O-N 3.02Å; E527-L575 HydrophobicContact CB-CD2 4.16Å; E527-L575 HydrophobicContact CG-CD2 3.67Å; E527-R794 WeakPolarHBondContact OE1-CD 3.31Å; E527-R794 IonicContact OE1-NH1 3.59Å; E527-R794 PolarHBondContact OE1-NH1 2.96Å; E527-R794 WeakPolarHBondContact OE2-CB 3.22Å | ||
| 528 | I | 66.8 | Low | 72.6 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 35% | 0.354 | 32% | 0.316 | S | S | . | . | trans | -110.7 | 114 | 176.2 | -57.8 | 172.7 | 0 | 0 | 0 | 105.2 | K526 P530 Q560 | K526-I528 HydrophobicContact CD-CD1 4.25Å; K526-I528 HydrophobicContact CD-CG1 4.2Å; K526-I528 HydrophobicContact CG-CG1 4.06Å; K526-I528 PolarHBondContact O-N 2.9Å; I528-P530 VanDerWaalsContact O-CD 3.29Å; I528-P530 WeakPolarHBondContact O-CD 3.43Å; I528-Q560 HydrophobicContact CD1-CB 4.2Å; I528-Q560 VanDerWaalsContact CD1-CD 3.45Å; I528-Q560 HydrophobicContact CD1-CG 4.02Å | ||
| 529 | H | 65 | Low | 72.9 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | trans | -70.7 | 116.8 | 166.8 | -158.5 | -90.9 | 0 | 0 | 0 | 107 | I531 D548 | H529-I531 HydrophobicContact CB-CD1 4.43Å; H529-I531 HydrophobicContact CB-CG1 4.16Å; H529-I531 PolarHBondContact O-N 3.1Å; H529-D548 IonicContact CE1-OD2 2.77Å; H529-D548 PolarHBondContact CE1-OD2 3.45Å; H529-D548 IonicContact ND1-OD2 3.36Å; H529-D548 PolarHBondContact ND1-OD2 2.97Å; H529-D548 VanDerWaalsContact ND1-OD2 3.14Å | ||
| 530 | P | 67.9 | Low | 73 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 16% | 0.156 | 34% | 0.344 | C | S | . | . | trans | -71.6 | 102 | 174.3 | 29.3 | -28.8 | 0 | 0 | 0 | 106.9 | I528 S550 V551 L554 | I528-P530 VanDerWaalsContact O-CD 3.29Å; I528-P530 WeakPolarHBondContact O-CD 3.43Å; P530-S550 WeakPolarHBondContact O-CB 3.12Å; P530-V551 HydrophobicContact CG-CB 4.47Å; P530-V551 HydrophobicContact CG-CG1 4.48Å; P530-V551 HydrophobicContact CG-CG2 4Å; P530-L554 HydrophobicContact CB-CB 4.29Å; P530-L554 HydrophobicContact CB-CD1 3.97Å | ||
| 531 | I | 70.9 | Confident | 73.2 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | trans | -103.4 | 134.1 | 176.3 | -56.9 | 169.1 | 0 | 0 | 0 | 106.3 | H529 L533 F536 | H529-I531 HydrophobicContact CB-CD1 4.43Å; H529-I531 HydrophobicContact CB-CG1 4.16Å; H529-I531 PolarHBondContact O-N 3.1Å; I531-L533 PolarHBondContact O-N 3.11Å; I531-L533 VanDerWaalsContact O-N 3.09Å; I531-F536 HydrophobicContact CG2-CB 3.6Å; I531-F536 HydrophobicContact CG2-CD2 4.3Å; I531-F536 HydrophobicContact CG2-CG 4.45Å; I531-F536 WeakPolarHBondContact CG2-O 3.42Å | ||
| 532 | D | 78.7 | Confident | 73.7 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | trans | -69.8 | 101.2 | 168.1 | -178.8 | 7.5 | 0 | 0 | 0 | 109.6 | N534 R535 F536 S550 | D532-N534 PolarHBondContact O-N 3.35Å; D532-N534 WeakPolarHBondContact OD1-CB 3.38Å; D532-N534 PolarHBondContact OD1-N 3.48Å; D532-N534 VanDerWaalsContact OD1-N 3.07Å; D532-R535 HydrophobicContact CB-CB 4.2Å; D532-R535 PolarHBondContact O-N 2.97Å; D532-F536 PolarHBondContact O-N 3.35Å; D532-S550 PolarHBondContact N-OG 3.4Å; D532-S550 VanDerWaalsContact N-OG 3.14Å | ||
| 533 | L | 74.9 | Confident | 73.9 | Confident | 119 Ų | 119 | 75 Ų | 75 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.6 | -180 | -65.8 | 170.7 | 0 | 0 | 0 | 112.5 | I531 R535 | I531-L533 PolarHBondContact O-N 3.11Å; I531-L533 VanDerWaalsContact O-N 3.09Å; L533-R535 PolarHBondContact O-N 3.33Å |
| 534 | N | 79.7 | Confident | 73.9 | Confident | 160 Ų | 160 | 74.9 Ų | 74.9 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.9 | 175.1 | -66.2 | -26.7 | 0 | 0 | 0 | 112.3 | D532 | D532-N534 PolarHBondContact O-N 3.35Å; D532-N534 WeakPolarHBondContact OD1-CB 3.38Å; D532-N534 PolarHBondContact OD1-N 3.48Å; D532-N534 VanDerWaalsContact OD1-N 3.07Å |
| 535 | R | 80 | Confident | 73.7 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 42% | 0.415 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -40.7 | -176.3 | -174.7 | 177.7 | 174 | -163.2 | -7.8 | 112.7 | D532 L533 Q547 D549 | D532-R535 HydrophobicContact CB-CB 4.2Å; D532-R535 PolarHBondContact O-N 2.97Å; L533-R535 PolarHBondContact O-N 3.33Å; R535-Q547 PolarHBondContact NH2-O 2.9Å; R535-D549 IonicContact CZ-OD1 3.14Å; R535-D549 IonicContact NH1-OD1 2.81Å; R535-D549 PolarHBondContact NH1-OD1 3.41Å; R535-D549 IonicContact NH2-OD1 3.47Å |
| 536 | F | 80.7 | Confident | 73.8 | Confident | 23 Ų | 23 | 83.1 Ų | 83.1 | 10% | 0.101 | 44% | 0.435 | C | S | . | . | trans | -133.1 | 115.6 | -177.9 | -57.2 | -63.1 | 0 | 0 | 0 | 110.2 | I531 D532 P542 Q547 D548 | I531-F536 HydrophobicContact CG2-CB 3.6Å; I531-F536 HydrophobicContact CG2-CD2 4.3Å; I531-F536 HydrophobicContact CG2-CG 4.45Å; I531-F536 WeakPolarHBondContact CG2-O 3.42Å; D532-F536 PolarHBondContact O-N 3.35Å; F536-P542 HydrophobicContact CB-CG 4.25Å; F536-P542 HydrophobicContact CD1-CB 4.16Å; F536-P542 HydrophobicContact CD1-CG 3.91Å; F536-P542 HydrophobicContact CD2-CG 4.18Å; F536-P542 HydrophobicContact CE1-CB 4.07Å; F536-P542 HydrophobicContact CE1-CG 4.26Å; F536-P542 HydrophobicContact CG-CG 3.86Å; F536-P542 HydrophobicContact CZ-CB 4.37Å; F536-Q547 HydrophobicContact CZ-CG 4.14Å; F536-D548 HydrophobicContact CD2-CB 4.42Å; F536-D548 HydrophobicContact CE2-CB 4.18Å | ||
| 537 | D | 77.4 | Confident | 73.9 | Confident | 81 Ų | 81 | 84.3 Ų | 84.3 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -114.9 | 171.5 | 178.4 | -88.4 | -27.8 | 0 | 0 | 0 | 111.3 | D539 H540 | D537-D539 PolarHBondContact O-N 3.27Å; D537-H540 PolarHBondContact N-O 3.37Å; D537-H540 CarbonylContact O-C 3.57Å; D537-H540 PolarHBondContact O-N 2.92Å |
| 538 | A | 70.7 | Confident | 74.4 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N802 | A538-N802 PolarHBondContact O-OD1 3.48Š|
| 539 | D | 76.4 | Confident | 74.9 | Confident | 68 Ų | 68 | 80 Ų | 80 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14.4 | 178.1 | -63.1 | -36.7 | 0 | 0 | 0 | 112.9 | D537 R803 | D537-D539 PolarHBondContact O-N 3.27Å; D539-R803 WeakPolarHBondContact OD1-CB 3.34Å; D539-R803 PolarHBondContact OD1-N 2.89Å |
| 540 | H | 77.1 | Confident | 75.6 | Confident | 139 Ų | 139 | 75.3 Ų | 75.3 | 64% | 0.644 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -134.8 | 68.3 | 179 | -57.6 | 97.1 | 0 | 0 | 0 | 110.2 | D537 | D537-H540 PolarHBondContact N-O 3.37Å; D537-H540 CarbonylContact O-C 3.57Å; D537-H540 PolarHBondContact O-N 2.92Å |
| 541 | P | 76.8 | Confident | 75.9 | Confident | 65 Ų | 65 | 77.3 Ų | 77.3 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | trans | -69 | 157.9 | -179.5 | 29.1 | -34.5 | 0 | 0 | 0 | 111.1 | ||||
| 542 | P | 77.5 | Confident | 76 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | trans | -57 | 145.1 | 170.4 | -11.4 | 23.2 | 0 | 0 | 0 | 109.6 | F536 H544 Q547 D548 W797 | F536-P542 HydrophobicContact CB-CG 4.25Å; F536-P542 HydrophobicContact CD1-CB 4.16Å; F536-P542 HydrophobicContact CD1-CG 3.91Å; F536-P542 HydrophobicContact CD2-CG 4.18Å; F536-P542 HydrophobicContact CE1-CB 4.07Å; F536-P542 HydrophobicContact CE1-CG 4.26Å; F536-P542 HydrophobicContact CG-CG 3.86Å; F536-P542 HydrophobicContact CZ-CB 4.37Å; P542-H544 VanDerWaalsContact C-N 3.34Å; P542-Q547 HydrophobicContact CB-CB 4.4Å; P542-D548 HydrophobicContact CB-CB 4.29Å; P542-D548 HydrophobicContact CG-CB 3.88Å; P542-W797 HydrophobicContact CB-CH2 4.09Å; P542-W797 HydrophobicContact CB-CZ2 4.07Å; P542-W797 HydrophobicContact CG-CZ2 4.21Å; P542-W797 WeakPolarHBondContact O-CH2 3.44Å | ||
| 543 | V | 76.4 | Confident | 76 | Confident | 143 Ų | 143 | 90.1 Ų | 90.1 | 87% | 0.867 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -73.7 | -30 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 544 | H | 75.7 | Confident | 76 | Confident | 103 Ų | 103 | 87.8 Ų | 87.8 | 48% | 0.477 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -139.5 | 146.2 | -177.2 | -172 | -91.6 | 0 | 0 | 0 | 110.6 | P542 L546 Q547 | P542-H544 VanDerWaalsContact C-N 3.34Å; H544-L546 PolarHBondContact ND1-N 3.05Å; H544-L546 PolarHBondContact O-N 3.17Å; H544-L546 VanDerWaalsContact O-N 3.14Å; H544-Q547 VanDerWaalsContact O-CB 3.27Å; H544-Q547 WeakPolarHBondContact O-CB 3.28Å; H544-Q547 PolarHBondContact O-N 2.87Å |
| 545 | P | 68.8 | Low | 75.8 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -53.4 | -36.3 | -178.9 | -26.1 | 30.3 | 0 | 0 | 0 | 114.8 | Q547 W797 | P545-Q547 VanDerWaalsContact C-N 3.32Å; P545-W797 VanDerWaalsContact CA-CZ2 3.49Å; P545-W797 HydrophobicContact CB-CD2 4.3Å; P545-W797 HydrophobicContact CB-CZ2 4.28Å; P545-W797 HydrophobicContact CG-CD2 3.69Å; P545-W797 HydrophobicContact CG-CE3 3.93Å; P545-W797 HydrophobicContact CG-CG 4Å; P545-W797 HydrophobicContact CG-CH2 4.37Å; P545-W797 HydrophobicContact CG-CZ2 4.21Å; P545-W797 HydrophobicContact CG-CZ3 4.27Å |
| 546 | L | 72.3 | Confident | 75.3 | Confident | 145 Ų | 145 | 88 Ų | 88 | 76% | 0.759 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -79.2 | -10.6 | -179.5 | -62.7 | 172.9 | 0 | 0 | 0 | 114.2 | H544 D548 | H544-L546 PolarHBondContact ND1-N 3.05Å; H544-L546 PolarHBondContact O-N 3.17Å; H544-L546 VanDerWaalsContact O-N 3.14Å; L546-D548 VanDerWaalsContact C-N 3.28Å |
| 547 | Q | 74.8 | Confident | 74.8 | Confident | 106 Ų | 106 | 89.8 Ų | 89.8 | 50% | 0.495 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -74.5 | -24.3 | 177.8 | -174.2 | 61.7 | 19.6 | 0 | 0 | 111.7 | R535 F536 P542 H544 P545 D549 | R535-Q547 PolarHBondContact NH2-O 2.9Å; F536-Q547 HydrophobicContact CZ-CG 4.14Å; P542-Q547 HydrophobicContact CB-CB 4.4Å; H544-Q547 VanDerWaalsContact O-CB 3.27Å; H544-Q547 WeakPolarHBondContact O-CB 3.28Å; H544-Q547 PolarHBondContact O-N 2.87Å; P545-Q547 VanDerWaalsContact C-N 3.32Å; Q547-D549 PolarHBondContact O-N 3.27Å |
| 548 | D | 75.2 | Confident | 74.6 | Confident | 17 Ų | 17 | 97 Ų | 97 | 9% | 0.091 | 49% | 0.491 | C | S | . | . | trans | -88.3 | 93.2 | 175.4 | -174.9 | 14.7 | 0 | 0 | 0 | 110.4 | H529 F536 P542 L546 S550 | H529-D548 IonicContact CE1-OD2 2.77Å; H529-D548 PolarHBondContact CE1-OD2 3.45Å; H529-D548 IonicContact ND1-OD2 3.36Å; H529-D548 PolarHBondContact ND1-OD2 2.97Å; H529-D548 VanDerWaalsContact ND1-OD2 3.14Å; F536-D548 HydrophobicContact CD2-CB 4.42Å; F536-D548 HydrophobicContact CE2-CB 4.18Å; P542-D548 HydrophobicContact CB-CB 4.29Å; P542-D548 HydrophobicContact CG-CB 3.88Å; L546-D548 VanDerWaalsContact C-N 3.28Å; D548-S550 WeakPolarHBondContact OD1-CB 3.12Å; D548-S550 PolarHBondContact OD1-N 3.3Å; D548-S550 VanDerWaalsContact OD1-N 3.16Å; D548-S550 PolarHBondContact OD1-OG 3.15Å | ||
| 549 | D | 76.9 | Confident | 74.7 | Confident | 40 Ų | 40 | 102 Ų | 102 | 21% | 0.214 | 50% | 0.499 | C | S | . | . | trans | -94.9 | 12.8 | 174.4 | 58.5 | -18.8 | 0 | 0 | 0 | 112.6 | R535 Q547 V551 W552 Y553 | R535-D549 IonicContact CZ-OD1 3.14Å; R535-D549 IonicContact NH1-OD1 2.81Å; R535-D549 PolarHBondContact NH1-OD1 3.41Å; R535-D549 IonicContact NH2-OD1 3.47Å; Q547-D549 PolarHBondContact O-N 3.27Å; D549-V551 PolarHBondContact O-N 3.41Å; D549-W552 HydrophobicContact CB-CE3 3.99Å; D549-W552 WeakPolarHBondContact O-CB 3.44Å; D549-W552 PolarHBondContact O-N 3.46Å; D549-Y553 HydrophobicContact CB-CE2 4.07Å; D549-Y553 WeakPolarHBondContact O-CD2 3.34Å; D549-Y553 WeakPolarHBondContact O-CE2 3.47Å; D549-Y553 WeakPolarHBondContact OD2-CE2 3.4Å; D549-Y553 PolarHBondContact OD2-OH 3.49Å | ||
| 550 | S | 79.4 | Confident | 74.6 | Confident | 3 Ų | 3 | 103.4 Ų | 103.4 | 2% | 0.021 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -54.8 | -32 | -177 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | P530 D532 D548 W552 Y553 L554 | P530-S550 WeakPolarHBondContact O-CB 3.12Å; D532-S550 PolarHBondContact N-OG 3.4Å; D532-S550 VanDerWaalsContact N-OG 3.14Å; D548-S550 WeakPolarHBondContact OD1-CB 3.12Å; D548-S550 PolarHBondContact OD1-N 3.3Å; D548-S550 VanDerWaalsContact OD1-N 3.16Å; D548-S550 PolarHBondContact OD1-OG 3.15Å; S550-W552 PolarHBondContact O-N 3.49Å; S550-Y553 PolarHBondContact O-N 2.78Å; S550-L554 WeakPolarHBondContact O-CB 3.45Å; S550-L554 VanDerWaalsContact O-CG 3.31Å; S550-L554 WeakPolarHBondContact O-CG 3.48Å; S550-L554 PolarHBondContact O-N 3.2Å |
| 551 | V | 73.1 | Confident | 74.6 | Confident | 66 Ų | 66 | 99.7 Ų | 99.7 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -59.5 | -25.9 | 177.7 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | P530 D549 | P530-V551 HydrophobicContact CG-CB 4.47Å; P530-V551 HydrophobicContact CG-CG1 4.48Å; P530-V551 HydrophobicContact CG-CG2 4Å; D549-V551 PolarHBondContact O-N 3.41Å |
| 552 | W | 73.6 | Confident | 74.6 | Confident | 216 Ų | 216 | 97.8 Ų | 97.8 | 82% | 0.818 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -73 | -27 | -179.1 | -109.1 | -63.4 | 0 | 0 | 0 | 114 | D549 S550 | D549-W552 HydrophobicContact CB-CE3 3.99Å; D549-W552 WeakPolarHBondContact O-CB 3.44Å; D549-W552 PolarHBondContact O-N 3.46Å; S550-W552 PolarHBondContact O-N 3.49Å |
| 553 | Y | 79.4 | Confident | 74.8 | Confident | 161 Ų | 161 | 98.1 Ų | 98.1 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -13.9 | -170.6 | -28.8 | -72.9 | 0 | 0 | 0 | 112.9 | D549 S550 | D549-Y553 HydrophobicContact CB-CE2 4.07Å; D549-Y553 WeakPolarHBondContact O-CD2 3.34Å; D549-Y553 WeakPolarHBondContact O-CE2 3.47Å; D549-Y553 WeakPolarHBondContact OD2-CE2 3.4Å; D549-Y553 PolarHBondContact OD2-OH 3.49Å; S550-Y553 PolarHBondContact O-N 2.78Å |
| 554 | L | 73.7 | Confident | 74.8 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.366 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -92.2 | 135.7 | 175.9 | -65.4 | 176.7 | 0 | 0 | 0 | 110.6 | P530 S550 T556 | P530-L554 HydrophobicContact CB-CB 4.29Å; P530-L554 HydrophobicContact CB-CD1 3.97Å; S550-L554 WeakPolarHBondContact O-CB 3.45Å; S550-L554 VanDerWaalsContact O-CG 3.31Å; S550-L554 WeakPolarHBondContact O-CG 3.48Å; S550-L554 PolarHBondContact O-N 3.2Å; L554-T556 PolarHBondContact O-N 3.45Å |
| 555 | D | 75.5 | Confident | 75.1 | Confident | 160 Ų | 160 | 87.2 Ų | 87.2 | 86% | 0.856 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 124.4 | 169.9 | -84.7 | -22.9 | 0 | 0 | 0 | 109.7 | P557 | D555-P557 WeakPolarHBondContact O-CD 3.25Å; D555-P557 VanDerWaalsContact O-N 3.08Å |
| 556 | T | 69.5 | Low | 75.6 | Confident | 116 Ų | 116 | 86.6 Ų | 86.6 | 71% | 0.712 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 118.9 | 177.8 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | L554 | L554-T556 PolarHBondContact O-N 3.45Š|
| 557 | P | 70 | Confident | 75.8 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 150 | -176 | 25.3 | -33.2 | 0 | 0 | 0 | 110.1 | D555 R559 | D555-P557 WeakPolarHBondContact O-CD 3.25Å; D555-P557 VanDerWaalsContact O-N 3.08Å; P557-R559 PolarHBondContact O-N 3.42Å |
| 558 | R | 73.7 | Confident | 75.9 | Confident | 233 Ų | 233 | 74.7 Ų | 74.7 | 88% | 0.879 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 138 | 174.8 | -65.4 | -173.4 | 179.1 | -158.9 | 0.2 | 109.6 | Q560 | R558-Q560 WeakPolarHBondContact O-CG 3.33Å; R558-Q560 PolarHBondContact O-N 3.5Å |
| 559 | R | 72.3 | Confident | 76 | Confident | 153 Ų | 153 | 75.2 Ų | 75.2 | 58% | 0.577 | 35% | 0.353 | S | S | * | . | trans | -54 | 110.1 | 176.1 | -75.8 | -173.9 | 176.8 | -157.1 | -1 | 110 | P557 Y561 | P557-R559 PolarHBondContact O-N 3.42Å; R559-Y561 HydrophobicContact CB-CE2 4.3Å | ||
| 560 | Q | 74.8 | Confident | 75.6 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 152.5 | 173.8 | -64.1 | -170.8 | 3.1 | 0 | 0 | 109 | P525 K526 I528 R558 | P525-Q560 CarbonylContact C-O 3.45Å; K526-Q560 HydrophobicContact CB-CB 4.25Å; K526-Q560 PolarHBondContact N-O 3.13Å; I528-Q560 HydrophobicContact CD1-CB 4.2Å; I528-Q560 VanDerWaalsContact CD1-CD 3.45Å; I528-Q560 HydrophobicContact CD1-CG 4.02Å; R558-Q560 WeakPolarHBondContact O-CG 3.33Å; R558-Q560 PolarHBondContact O-N 3.5Å |
| 561 | Y | 77.6 | Confident | 75 | Confident | 61 Ų | 61 | 79.7 Ų | 79.7 | 24% | 0.239 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.5 | 178 | -65.6 | -95.3 | 0 | 0 | 0 | 109 | D516 G518 P519 I524 P525 R559 | D516-Y561 PolarHBondContact OD2-OH 3.5Å; G518-Y561 WeakPolarHBondContact CA-OH 3.5Å; P519-Y561 HydrophobicContact CG-CD1 4.18Å; P519-Y561 HydrophobicContact CG-CD2 3.63Å; P519-Y561 HydrophobicContact CG-CE2 4.15Å; P519-Y561 HydrophobicContact CG-CG 3.65Å; I524-Y561 CarbonylContact O-C 3.52Å; I524-Y561 WeakPolarHBondContact O-CA 3.47Å; P525-Y561 HydrophobicContact CB-CD1 4.25Å; P525-Y561 HydrophobicContact CB-CE1 4.15Å; R559-Y561 HydrophobicContact CB-CE2 4.3Å |
| 562 | I | 77.3 | Confident | 74.6 | Confident | 24 Ų | 24 | 79.3 Ų | 79.3 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.6 | 176.2 | -168.2 | 162.2 | 0 | 0 | 0 | 109 | Y523 I524 K526 F564 A567 | Y523-I562 CarbonylContact C-O 3.55Å; Y523-I562 VanDerWaalsContact CA-O 3.25Å; Y523-I562 WeakPolarHBondContact CA-O 3.22Å; I524-I562 PolarHBondContact N-O 2.98Å; I524-I562 PolarHBondContact O-N 3.06Å; K526-I562 HydrophobicContact CB-CB 4.19Å; K526-I562 HydrophobicContact CB-CG2 4.06Å; K526-I562 HydrophobicContact CG-CG2 4.48Å; I562-F564 PolarHBondContact O-N 3.37Å; I562-A567 HydrophobicContact CG2-CB 4.13Å |
| 563 | S | 80.4 | Confident | 73.9 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138.6 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | H565 S566 A567 | S563-H565 PolarHBondContact O-N 3.34Å; S563-H565 VanDerWaalsContact O-N 3.14Å; S563-H565 PolarHBondContact OG-N 3.47Å; S563-S566 CarbonylContact O-C 3.58Å; S563-S566 WeakPolarHBondContact O-CA 3.47Å; S563-S566 WeakPolarHBondContact O-CB 3.45Å; S563-S566 PolarHBondContact O-N 3.14Å; S563-A567 PolarHBondContact O-N 3.18Å |
| 564 | F | 76.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.6 | -37.4 | 175.8 | -163.2 | -75 | 0 | 0 | 0 | 111 | M522 I524 I562 A567 A568 Y579 P591 L607 | M522-F564 WeakPolarHBondContact O-CB 3.37Å; M522-F564 PolarHBondContact O-N 3.23Å; I524-F564 HydrophobicContact CD1-CB 4.18Å; I524-F564 HydrophobicContact CD1-CD2 3.11Å; I524-F564 HydrophobicContact CD1-CE2 3.47Å; I524-F564 VanDerWaalsContact CD1-CE2 3.47Å; I524-F564 HydrophobicContact CD1-CG 3.8Å; I524-F564 HydrophobicContact CD1-CZ 4.44Å; I524-F564 HydrophobicContact CG1-CB 4.14Å; I524-F564 HydrophobicContact CG1-CD2 3.45Å; I524-F564 VanDerWaalsContact CG1-CD2 3.45Å; I524-F564 HydrophobicContact CG1-CE2 4.18Å; I524-F564 HydrophobicContact CG1-CG 4.16Å; I562-F564 PolarHBondContact O-N 3.37Å; F564-A567 PolarHBondContact O-N 3.01Å; F564-A568 PolarHBondContact O-N 3.36Å; F564-A568 VanDerWaalsContact O-N 3.1Å; F564-Y579 HydrophobicContact CE2-CG 4.38Å; F564-P591 HydrophobicContact CD1-CB 3.52Å; F564-P591 HydrophobicContact CD1-CG 3.43Å; F564-P591 VanDerWaalsContact CD1-CG 3.43Å; F564-P591 HydrophobicContact CE1-CB 3.52Å; F564-P591 HydrophobicContact CE1-CG 3.3Å; F564-L607 HydrophobicContact CE1-CD2 4.34Å |
| 565 | H | 81.8 | Confident | 71.6 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 174.8 | -58 | 77.9 | 0 | 0 | 0 | 113.5 | S563 L569 T583 D585 K589 V594 | S563-H565 PolarHBondContact O-N 3.34Å; S563-H565 VanDerWaalsContact O-N 3.14Å; S563-H565 PolarHBondContact OG-N 3.47Å; H565-L569 PolarHBondContact O-N 3.21Å; H565-T583 PolarHBondContact NE2-O 2.86Å; H565-D585 PolarHBondContact CE1-N 2.86Å; H565-D585 PolarHBondContact NE2-N 3.35Å; H565-K589 PolarHBondContact CD2-O 2.88Å; H565-K589 PolarHBondContact NE2-O 3.17Å; H565-V594 HydrophobicContact CB-CG2 4.18Å |
| 566 | S | 78.8 | Confident | 70.6 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.3 | -29.2 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | S563 L569 H570 | S563-S566 CarbonylContact O-C 3.58Å; S563-S566 WeakPolarHBondContact O-CA 3.47Å; S563-S566 WeakPolarHBondContact O-CB 3.45Å; S563-S566 PolarHBondContact O-N 3.14Å; S566-L569 WeakPolarHBondContact O-CB 3.26Å; S566-L569 PolarHBondContact O-N 3.33Å; S566-H570 PolarHBondContact O-CD2 2.81Å; S566-H570 PolarHBondContact O-N 3.06Å |
| 567 | A | 77.3 | Confident | 70 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I524 I562 S563 F564 L569 H570 N571 D572 | I524-A567 HydrophobicContact CD1-CB 4.33Å; I562-A567 HydrophobicContact CG2-CB 4.13Å; S563-A567 PolarHBondContact O-N 3.18Å; F564-A567 PolarHBondContact O-N 3.01Å; A567-L569 PolarHBondContact O-N 3.19Å; A567-H570 PolarHBondContact O-N 3.26Å; A567-N571 PolarHBondContact O-N 3Å; A567-D572 PolarHBondContact O-N 3.06Å |
| 568 | A | 77 | Confident | 69.6 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -24.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F564 P591 N600 | F564-A568 PolarHBondContact O-N 3.36Å; F564-A568 VanDerWaalsContact O-N 3.1Å; A568-P591 HydrophobicContact CB-CB 3.85Å; A568-N600 PolarHBondContact O-ND2 3.01Å |
| 569 | L | 76.7 | Confident | 69.4 | Low | 28 Ų | 28 | 50 Ų | 50 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.4 | -27.4 | 173.7 | 178 | 63.1 | 0 | 0 | 0 | 113.2 | H565 S566 A567 V594 H598 N600 | H565-L569 PolarHBondContact O-N 3.21Å; S566-L569 WeakPolarHBondContact O-CB 3.26Å; S566-L569 PolarHBondContact O-N 3.33Å; A567-L569 PolarHBondContact O-N 3.19Å; L569-V594 HydrophobicContact CB-CG1 4.46Å; L569-H598 HydrophobicContact CD1-CB 3.86Å; L569-H598 WeakPolarHBondContact CD1-CD2 3.43Å; L569-H598 WeakPolarHBondContact CD1-ND1 3.44Å; L569-H598 WeakPolarHBondContact CD1-NE2 3.49Å; L569-N600 PolarHBondContact O-ND2 3.43Å |
| 570 | H | 68.5 | Low | 69.4 | Low | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 11.1 | -169.2 | -64.7 | -50.9 | 0 | 0 | 0 | 114.8 | S566 A567 D572 | S566-H570 PolarHBondContact O-CD2 2.81Å; S566-H570 PolarHBondContact O-N 3.06Å; A567-H570 PolarHBondContact O-N 3.26Å; H570-D572 PolarHBondContact O-N 3.25Å |
| 571 | N | 66.1 | Low | 69.6 | Low | 69 Ų | 69 | 45 Ų | 45 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 19.6 | -173.1 | -70.6 | 3.5 | 0 | 0 | 0 | 114.8 | A567 M573 T603 | A567-N571 PolarHBondContact O-N 3Å; N571-M573 VanDerWaalsContact C-N 3.27Å; N571-M573 PolarHBondContact O-N 3.11Å; N571-T603 VanDerWaalsContact CA-CG2 3.45Å; N571-T603 HydrophobicContact CB-CG2 4.04Å; N571-T603 WeakPolarHBondContact OD1-CG2 3.4Å |
| 572 | D | 64.7 | Low | 69.7 | Low | 58 Ų | 58 | 44.1 Ų | 44.1 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | trans | -90.5 | 38.6 | -176.6 | -74 | -24 | 0 | 0 | 0 | 112.7 | A567 H570 | A567-D572 PolarHBondContact O-N 3.06Å; H570-D572 PolarHBondContact O-N 3.25Å | ||
| 573 | M | 59.6 | Low | 69.8 | Low | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -91.5 | -0.8 | -162.1 | -135.8 | 178 | 73 | 0 | 0 | 116 | N571 L575 S576 T603 E606 L607 L610 | N571-M573 VanDerWaalsContact C-N 3.27Å; N571-M573 PolarHBondContact O-N 3.11Å; M573-L575 PolarHBondContact O-N 2.98Å; M573-S576 PolarHBondContact O-N 3.08Å; M573-S576 PolarHBondContact O-OG 3.35Å; M573-T603 HydrophobicContact SD-CG2 4.33Å; M573-E606 HydrophobicContact CE-CB 3.42Å; M573-E606 VanDerWaalsContact CE-CB 3.42Å; M573-L607 HydrophobicContact CE-CB 4.31Å; M573-L607 HydrophobicContact CE-CD2 3.51Å; M573-L607 HydrophobicContact CE-CG 3.5Å; M573-L607 HydrophobicContact SD-CD1 4Å; M573-L607 HydrophobicContact SD-CD2 3.4Å; M573-L607 WeakPolarHBondContact SD-CD2 3.46Å; M573-L607 HydrophobicContact SD-CG 3.4Å; M573-L607 WeakPolarHBondContact SD-CG 3.46Å; M573-L610 HydrophobicContact CE-CD1 4.13Å |
| 574 | A | 54.5 | Low | 69.9 | Low | 47 Ų | 47 | 46.8 Ų | 46.8 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -53.9 | -15 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S576 P796 | A574-S576 VanDerWaalsContact C-N 3.3Å; A574-S576 PolarHBondContact O-N 3.4Å; A574-P796 HydrophobicContact CB-CG 3.85Å |
| 575 | L | 51.5 | Low | 69.9 | Low | 39 Ų | 39 | 48.6 Ų | 48.6 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -85.3 | 17.5 | -174.2 | -62.1 | 159.8 | 0 | 0 | 0 | 114.7 | I524 P525 E527 M573 Y579 | I524-L575 HydrophobicContact CG2-CB 3.66Å; I524-L575 HydrophobicContact CG2-CD1 4.2Å; I524-L575 HydrophobicContact CG2-CG 4.48Å; P525-L575 WeakPolarHBondContact O-CD1 3.26Å; E527-L575 HydrophobicContact CB-CD2 4.16Å; E527-L575 HydrophobicContact CG-CD2 3.67Å; M573-L575 PolarHBondContact O-N 2.98Å; L575-Y579 VanDerWaalsContact O-CD2 3.31Å; L575-Y579 WeakPolarHBondContact O-CD2 3.48Å; L575-Y579 WeakPolarHBondContact O-CE2 3.4Å |
| 576 | S | 54.2 | Low | 69.6 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | trans | -91 | -6.2 | -164 | 56.6 | 0 | 0 | 0 | 0 | 116.6 | M573 A574 G578 Y579 L610 | M573-S576 PolarHBondContact O-N 3.08Å; M573-S576 PolarHBondContact O-OG 3.35Å; A574-S576 VanDerWaalsContact C-N 3.3Å; A574-S576 PolarHBondContact O-N 3.4Å; S576-G578 PolarHBondContact O-N 3.23Å; S576-Y579 PolarHBondContact O-N 3.37Å; S576-L610 WeakPolarHBondContact OG-CD1 3.38Å | ||
| 577 | E | 56 | Low | 69.5 | Low | 192 Ų | 192 | 59.3 Ų | 59.3 | 90% | 0.897 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 108.7 | 177.9 | -74.3 | -169.9 | 171.2 | 0 | 0 | 111.3 | ||
| 578 | G | 62.7 | Low | 69.7 | Low | 69 Ų | 69 | 61.2 Ų | 61.2 | 71% | 0.711 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | -1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S576 | S576-G578 PolarHBondContact O-N 3.23Š|
| 579 | Y | 69.4 | Low | 70.2 | Confident | 31 Ų | 31 | 64 Ų | 64 | 12% | 0.122 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -93.4 | 144.6 | 173.9 | -67 | -75.2 | 0 | 0 | 0 | 112.1 | R514 I521 I524 P525 F564 L575 S576 I581 P757 | R514-Y579 PolarHBondContact NH1-OH 3.23Å; R514-Y579 PolarHBondContact NH2-OH 3.11Å; I521-Y579 HydrophobicContact CG1-CD1 4.4Å; I521-Y579 HydrophobicContact CG1-CE1 4.45Å; I524-Y579 HydrophobicContact CG2-CE2 3.95Å; P525-Y579 WeakPolarHBondContact CD-OH 3.44Å; F564-Y579 HydrophobicContact CE2-CG 4.38Å; L575-Y579 VanDerWaalsContact O-CD2 3.31Å; L575-Y579 WeakPolarHBondContact O-CD2 3.48Å; L575-Y579 WeakPolarHBondContact O-CE2 3.4Å; S576-Y579 PolarHBondContact O-N 3.37Å; Y579-I581 PolarHBondContact O-N 2.68Å; Y579-P757 HydrophobicContact CD1-CG 4.23Å; Y579-P757 HydrophobicContact CE1-CB 3.87Å; Y579-P757 HydrophobicContact CE1-CG 3.69Å |
| 580 | D | 72.8 | Confident | 70.8 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 60% | 0.599 | 32% | 0.323 | S | S | * | . | trans | -67.7 | 119.7 | 171.2 | -176.3 | 10 | 0 | 0 | 0 | 109.7 | D582 T583 | D580-D582 VanDerWaalsContact C-N 3.29Å; D580-D582 PolarHBondContact O-N 3.49Å; D580-D582 PolarHBondContact OD1-N 3.17Å; D580-T583 HydrophobicContact CB-CG2 4.15Å; D580-T583 WeakPolarHBondContact O-CG2 3.5Å; D580-T583 PolarHBondContact O-N 3.42Å; D580-T583 PolarHBondContact O-OG1 3.43Å | ||
| 581 | I | 77 | Confident | 71.7 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -29.8 | -172.9 | -56.4 | 148.1 | 0 | 0 | 0 | 110.5 | Y579 T583 P591 L607 L610 A612 | Y579-I581 PolarHBondContact O-N 2.68Å; I581-T583 VanDerWaalsContact C-N 3.27Å; I581-T583 PolarHBondContact O-N 3.43Å; I581-P591 WeakPolarHBondContact O-CG 3.36Å; I581-L607 HydrophobicContact CG2-CD2 3.74Å; I581-L610 HydrophobicContact CD1-CB 3.63Å; I581-L610 WeakPolarHBondContact CD1-O 3.31Å; I581-L610 HydrophobicContact CG1-CB 4.14Å; I581-A612 HydrophobicContact CG2-CB 3.64Å |
| 582 | D | 81.7 | Confident | 73 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 31.5 | -179.9 | -77.8 | -25.4 | 0 | 0 | 0 | 112.4 | D580 R584 N613 | D580-D582 VanDerWaalsContact C-N 3.29Å; D580-D582 PolarHBondContact O-N 3.49Å; D580-D582 PolarHBondContact OD1-N 3.17Å; D582-R584 PolarHBondContact O-N 3.29Å; D582-N613 PolarHBondContact OD1-N 3.01Å; D582-N613 WeakPolarHBondContact OD2-CB 3.26Å; D582-N613 PolarHBondContact OD2-N 3.04Å |
| 583 | T | 79.1 | Confident | 74.3 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | trans | -56.7 | 138.8 | 173.8 | 44 | 0 | 0 | 0 | 0 | 111.6 | M522 H565 D580 I581 T590 P591 | M522-T583 HydrophobicContact SD-CG2 3.75Å; H565-T583 PolarHBondContact NE2-O 2.86Å; D580-T583 HydrophobicContact CB-CG2 4.15Å; D580-T583 WeakPolarHBondContact O-CG2 3.5Å; D580-T583 PolarHBondContact O-N 3.42Å; D580-T583 PolarHBondContact O-OG1 3.43Å; I581-T583 VanDerWaalsContact C-N 3.27Å; I581-T583 PolarHBondContact O-N 3.43Å; T583-T590 WeakPolarHBondContact O-CA 3.37Å; T583-P591 WeakPolarHBondContact O-CD 3.46Å | ||
| 584 | R | 81.9 | Confident | 75.7 | Confident | 95 Ų | 95 | 54.4 Ų | 54.4 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | trans | -115.2 | 130.6 | -173.4 | -72.4 | -173.5 | -167.4 | 174.7 | 1.5 | 110.9 | L506 M522 D582 K589 T590 | L506-R584 HydrophobicContact CD1-CB 4.03Å; L506-R584 WeakPolarHBondContact CD1-O 3.27Å; M522-R584 WeakPolarHBondContact CE-O 3.45Å; D582-R584 PolarHBondContact O-N 3.29Å; R584-K589 WeakPolarHBondContact CA-O 3.2Å; R584-T590 HydrophobicContact CG-CG2 4.28Å | ||
| 585 | D | 77.1 | Confident | 77.4 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | trans | -76.5 | -173.4 | 172.3 | 74.4 | -2.3 | 0 | 0 | 0 | 111.8 | H565 F587 Y588 K589 | H565-D585 PolarHBondContact CE1-N 2.86Å; H565-D585 PolarHBondContact NE2-N 3.35Å; D585-F587 PolarHBondContact O-N 2.76Å; D585-F587 VanDerWaalsContact O-N 3.11Å; D585-F587 VanDerWaalsContact OD1-C 3.23Å; D585-F587 VanDerWaalsContact OD1-CA 3.27Å; D585-F587 WeakPolarHBondContact OD1-CA 3.4Å; D585-F587 WeakPolarHBondContact OD1-CB 3.46Å; D585-F587 PolarHBondContact OD1-N 2.93Å; D585-Y588 PolarHBondContact O-N 3.11Å; D585-Y588 PolarHBondContact OD1-N 2.81Å; D585-K589 PolarHBondContact N-O 3.15Å; D585-K589 VanDerWaalsContact N-O 3.11Å; D585-K589 WeakPolarHBondContact OD1-CB 3.4Å; D585-K589 PolarHBondContact OD1-N 2.98Å | ||
| 586 | K | 75.9 | Confident | 79.3 | Confident | 172 Ų | 172 | 50.3 Ų | 50.3 | 75% | 0.748 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.5 | 176.4 | -64 | 177.1 | -178.1 | 176.2 | 0 | 113.4 | ||
| 587 | F | 76.7 | Confident | 80.9 | Confident | 117 Ų | 117 | 52.8 Ų | 52.8 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 6.4 | 178.8 | -56.8 | -71.5 | 0 | 0 | 0 | 112.7 | D585 K589 D618 N619 | D585-F587 PolarHBondContact O-N 2.76Å; D585-F587 VanDerWaalsContact O-N 3.11Å; D585-F587 VanDerWaalsContact OD1-C 3.23Å; D585-F587 VanDerWaalsContact OD1-CA 3.27Å; D585-F587 WeakPolarHBondContact OD1-CA 3.4Å; D585-F587 WeakPolarHBondContact OD1-CB 3.46Å; D585-F587 PolarHBondContact OD1-N 2.93Å; F587-K589 HydrophobicContact CB-CG 4.16Å; F587-K589 PolarHBondContact O-N 3.11Å; F587-D618 WeakPolarHBondContact O-CB 3.4Å; F587-N619 PolarHBondContact O-N 3.27Å; F587-N619 VanDerWaalsContact O-N 3.08Å |
| 588 | Y | 81 | Confident | 82.2 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | trans | 64.9 | 20.4 | -175.1 | -77.9 | -122.6 | 0 | 0 | 0 | 114.1 | C504 L506 D585 D618 N619 | C504-Y588 HydrophobicContact CB-CE2 4.04Å; C504-Y588 WeakPolarHBondContact O-CD2 3.49Å; C504-Y588 WeakPolarHBondContact O-CE2 3.46Å; L506-Y588 HydrophobicContact CG-CE2 4.34Å; D585-Y588 PolarHBondContact O-N 3.11Å; D585-Y588 PolarHBondContact OD1-N 2.81Å; Y588-D618 WeakPolarHBondContact O-CA 3.48Å; Y588-N619 WeakPolarHBondContact CD2-OD1 2.93Å; Y588-N619 VanDerWaalsContact CG-OD1 3.32Å | ||
| 589 | K | 87.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 44.6 Ų | 44.6 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | trans | -73.7 | 135.2 | 173.3 | -62 | -176.4 | 178.2 | -168.5 | 0 | 109.6 | H565 R584 D585 F587 M593 D618 | H565-K589 PolarHBondContact CD2-O 2.88Å; H565-K589 PolarHBondContact NE2-O 3.17Å; R584-K589 WeakPolarHBondContact CA-O 3.2Å; D585-K589 PolarHBondContact N-O 3.15Å; D585-K589 VanDerWaalsContact N-O 3.11Å; D585-K589 WeakPolarHBondContact OD1-CB 3.4Å; D585-K589 PolarHBondContact OD1-N 2.98Å; F587-K589 HydrophobicContact CB-CG 4.16Å; F587-K589 PolarHBondContact O-N 3.11Å; K589-M593 HydrophobicContact CB-CB 4.46Å; K589-M593 HydrophobicContact CB-SD 4.21Å; K589-M593 HydrophobicContact CG-SD 4.43Å; K589-D618 HydrophobicContact CG-CB 4.24Å | ||
| 590 | T | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -87.1 | 156.6 | 169 | 60 | 0 | 0 | 0 | 0 | 110.1 | T583 R584 L592 M593 V594 A616 | T583-T590 WeakPolarHBondContact O-CA 3.37Å; R584-T590 HydrophobicContact CG-CG2 4.28Å; T590-L592 PolarHBondContact O-N 3.38Å; T590-M593 HydrophobicContact CG2-CE 4.35Å; T590-M593 WeakPolarHBondContact O-CA 3.2Å; T590-M593 WeakPolarHBondContact O-CB 3.35Å; T590-M593 PolarHBondContact O-N 3.47Å; T590-M593 WeakPolarHBondContact OG1-CG 3.39Å; T590-V594 PolarHBondContact O-N 3.03Å; T590-A616 HydrophobicContact CG2-CB 3.75Å | ||
| 591 | P | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.9 | -37 | 171.3 | 15 | -30.1 | 0 | 0 | 0 | 113.1 | F564 A568 I581 T583 M593 V594 A595 L607 | F564-P591 HydrophobicContact CD1-CB 3.52Å; F564-P591 HydrophobicContact CD1-CG 3.43Å; F564-P591 VanDerWaalsContact CD1-CG 3.43Å; F564-P591 HydrophobicContact CE1-CB 3.52Å; F564-P591 HydrophobicContact CE1-CG 3.3Å; A568-P591 HydrophobicContact CB-CB 3.85Å; I581-P591 WeakPolarHBondContact O-CG 3.36Å; T583-P591 WeakPolarHBondContact O-CD 3.46Å; P591-M593 VanDerWaalsContact C-N 3.28Å; P591-M593 PolarHBondContact O-N 3.38Å; P591-V594 PolarHBondContact O-N 2.91Å; P591-V594 VanDerWaalsContact O-N 3.08Å; P591-A595 PolarHBondContact O-N 3.5Å; P591-L607 HydrophobicContact CB-CD1 4.1Å; P591-L607 HydrophobicContact CB-CD2 4.4Å; P591-L607 HydrophobicContact CG-CD2 4.44Å |
| 592 | L | 92.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -33.7 | 174.8 | -176.3 | 61.8 | 0 | 0 | 0 | 112.6 | T590 A596 A604 L607 I608 A612 V614 P624 L640 | T590-L592 PolarHBondContact O-N 3.38Å; L592-A596 WeakPolarHBondContact O-CB 3.47Å; L592-A596 PolarHBondContact O-N 2.81Å; L592-A604 HydrophobicContact CD1-CB 3.92Å; L592-L607 HydrophobicContact CB-CD1 3.97Å; L592-L607 HydrophobicContact CD1-CB 4.24Å; L592-L607 HydrophobicContact CD1-CD1 4.18Å; L592-I608 HydrophobicContact CD1-CD1 4.49Å; L592-I608 HydrophobicContact CD1-CG1 4.24Å; L592-I608 HydrophobicContact CD2-CG1 4.34Å; L592-A612 HydrophobicContact CB-CB 4.45Å; L592-A612 HydrophobicContact CD2-CB 4.06Å; L592-V614 HydrophobicContact CD2-CG2 4.46Å; L592-P624 HydrophobicContact CD2-CB 4.41Å; L592-P624 HydrophobicContact CD2-CG 4.05Å; L592-P624 HydrophobicContact CG-CB 4.2Å; L592-P624 HydrophobicContact CG-CG 4.12Å; L592-L640 HydrophobicContact CD1-CD2 4.4Å; L592-L640 HydrophobicContact CD2-CD2 4.35Å; L592-L640 HydrophobicContact CG-CD2 4.49Å |
| 593 | M | 92.7 | Very high | 85 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.7 | -34.9 | 174 | -65 | 175.6 | -165.9 | 0 | 0 | 112.3 | K589 T590 P591 A596 H597 A616 D618 P624 | K589-M593 HydrophobicContact CB-CB 4.46Å; K589-M593 HydrophobicContact CB-SD 4.21Å; K589-M593 HydrophobicContact CG-SD 4.43Å; T590-M593 HydrophobicContact CG2-CE 4.35Å; T590-M593 WeakPolarHBondContact O-CA 3.2Å; T590-M593 WeakPolarHBondContact O-CB 3.35Å; T590-M593 PolarHBondContact O-N 3.47Å; T590-M593 WeakPolarHBondContact OG1-CG 3.39Å; P591-M593 VanDerWaalsContact C-N 3.28Å; P591-M593 PolarHBondContact O-N 3.38Å; M593-A596 PolarHBondContact O-N 3.31Å; M593-H597 WeakPolarHBondContact O-CB 3.45Å; M593-H597 PolarHBondContact O-N 2.87Å; M593-A616 HydrophobicContact CE-CB 3.66Å; M593-A616 VanDerWaalsContact CE-O 3.26Å; M593-A616 WeakPolarHBondContact CE-O 3.34Å; M593-D618 HydrophobicContact CE-CB 4.48Å; M593-D618 HydrophobicContact SD-CB 3.99Å; M593-P624 HydrophobicContact CG-CB 4.36Å; M593-P624 HydrophobicContact CG-CG 3.79Å |
| 594 | V | 88.9 | Confident | 85.5 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 13% | 0.127 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71 | -44.2 | 177.9 | -179 | 0 | 0 | 0 | 0 | 110.2 | H565 L569 T590 P591 A596 H597 H598 | H565-V594 HydrophobicContact CB-CG2 4.18Å; L569-V594 HydrophobicContact CB-CG1 4.46Å; T590-V594 PolarHBondContact O-N 3.03Å; P591-V594 PolarHBondContact O-N 2.91Å; P591-V594 VanDerWaalsContact O-N 3.08Å; V594-A596 VanDerWaalsContact C-N 3.3Å; V594-A596 PolarHBondContact O-N 2.98Å; V594-H597 PolarHBondContact O-N 2.85Å; V594-H598 PolarHBondContact O-N 3.32Å; V594-H598 VanDerWaalsContact O-N 3.13Å; V594-H598 PolarHBondContact O-ND1 3.08Å |
| 595 | A | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P591 H597 H598 G599 N600 T603 A604 L607 | P591-A595 PolarHBondContact O-N 3.5Å; A595-H597 PolarHBondContact O-N 3.1Å; A595-H598 PolarHBondContact O-N 2.84Å; A595-G599 WeakPolarHBondContact O-CA 3.01Å; A595-G599 PolarHBondContact O-N 3.25Å; A595-N600 HydrophobicContact CB-CB 4.49Å; A595-N600 PolarHBondContact O-N 3.33Å; A595-N600 VanDerWaalsContact O-N 3.1Å; A595-T603 WeakPolarHBondContact CB-OG1 3.15Å; A595-A604 HydrophobicContact CB-CB 4.49Å; A595-L607 HydrophobicContact CB-CD1 4.43Å |
| 596 | A | 91 | Very high | 86.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L592 M593 V594 P624 H627 A628 S631 M636 L640 | L592-A596 WeakPolarHBondContact O-CB 3.47Å; L592-A596 PolarHBondContact O-N 2.81Å; M593-A596 PolarHBondContact O-N 3.31Å; V594-A596 VanDerWaalsContact C-N 3.3Å; V594-A596 PolarHBondContact O-N 2.98Å; A596-P624 HydrophobicContact CB-CB 4.19Å; A596-P624 WeakPolarHBondContact CB-O 3.27Å; A596-H627 HydrophobicContact CB-CB 4.24Å; A596-A628 HydrophobicContact CB-CB 4.22Å; A596-A628 WeakPolarHBondContact O-CA 3.23Å; A596-S631 PolarHBondContact O-OG 3.24Å; A596-M636 WeakPolarHBondContact CA-SD 3.48Å; A596-M636 HydrophobicContact CB-CG 4.31Å; A596-M636 HydrophobicContact CB-SD 4.38Å; A596-L640 HydrophobicContact CB-CD1 4.26Å |
| 597 | H | 88.3 | Confident | 86.8 | Confident | 72 Ų | 72 | 34.3 Ų | 34.3 | 33% | 0.333 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 178.4 | -177.1 | -85.2 | 0 | 0 | 0 | 112.3 | M593 V594 A595 H627 S631 | M593-H597 WeakPolarHBondContact O-CB 3.45Å; M593-H597 PolarHBondContact O-N 2.87Å; V594-H597 PolarHBondContact O-N 2.85Å; A595-H597 PolarHBondContact O-N 3.1Å; H597-H627 HydrophobicContact CB-CB 4.19Å; H597-S631 WeakPolarHBondContact O-CB 3.41Å; H597-S631 PolarHBondContact O-OG 3.06Å |
| 598 | H | 83.8 | Confident | 87.4 | Confident | 77 Ų | 77 | 30 Ų | 30 | 36% | 0.356 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -90.8 | -9.6 | -178.5 | -61.8 | 86.2 | 0 | 0 | 0 | 113.4 | L569 V594 A595 | L569-H598 HydrophobicContact CD1-CB 3.86Å; L569-H598 WeakPolarHBondContact CD1-CD2 3.43Å; L569-H598 WeakPolarHBondContact CD1-ND1 3.44Å; L569-H598 WeakPolarHBondContact CD1-NE2 3.49Å; V594-H598 PolarHBondContact O-N 3.32Å; V594-H598 VanDerWaalsContact O-N 3.13Å; V594-H598 PolarHBondContact O-ND1 3.08Å; A595-H598 PolarHBondContact O-N 2.84Å |
| 599 | G | 82.9 | Confident | 87.7 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 28.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A595 L601 | A595-G599 WeakPolarHBondContact O-CA 3.01Å; A595-G599 PolarHBondContact O-N 3.25Å; G599-L601 PolarHBondContact O-N 2.91Å |
| 600 | N | 84.5 | Confident | 87.6 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | trans | -75.8 | 86.7 | 176.3 | -72.1 | -12.3 | 0 | 0 | 0 | 110.7 | A568 L569 A595 D602 T603 A604 | A568-N600 PolarHBondContact O-ND2 3.01Å; L569-N600 PolarHBondContact O-ND2 3.43Å; A595-N600 HydrophobicContact CB-CB 4.49Å; A595-N600 PolarHBondContact O-N 3.33Å; A595-N600 VanDerWaalsContact O-N 3.1Å; N600-D602 PolarHBondContact O-N 3.02Å; N600-T603 HydrophobicContact CB-CG2 4.48Å; N600-T603 WeakPolarHBondContact CB-OG1 3Å; N600-T603 PolarHBondContact O-N 2.86Å; N600-T603 PolarHBondContact O-OG1 3.46Å; N600-A604 PolarHBondContact O-N 3.4Å; N600-A604 VanDerWaalsContact O-N 3.12Å | ||
| 601 | L | 86.4 | Confident | 87.4 | Confident | 53 Ų | 53 | 40 Ų | 40 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.1 | -50.6 | 179.9 | -76.4 | 159.8 | 0 | 0 | 0 | 113.1 | G599 T603 A604 I605 D635 M636 L639 | G599-L601 PolarHBondContact O-N 2.91Å; L601-T603 PolarHBondContact O-N 3.39Å; L601-A604 PolarHBondContact O-N 3.38Å; L601-A604 VanDerWaalsContact O-N 3.12Å; L601-I605 VanDerWaalsContact O-CG1 3.31Å; L601-I605 WeakPolarHBondContact O-CG1 3.48Å; L601-I605 PolarHBondContact O-N 3.13Å; L601-D635 HydrophobicContact CD1-CB 3.87Å; L601-D635 HydrophobicContact CD2-CB 4.04Å; L601-M636 HydrophobicContact CB-CE 4.31Å; L601-M636 HydrophobicContact CD2-CE 3.56Å; L601-M636 HydrophobicContact CG-CE 3.93Å; L601-L639 HydrophobicContact CD2-CB 4.48Å; L601-L639 HydrophobicContact CD2-CD1 3.93Å |
| 602 | D | 84.2 | Confident | 87.5 | Confident | 83 Ų | 83 | 40.3 Ų | 40.3 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -47.8 | -175.6 | -56.6 | -40.7 | 0 | 0 | 0 | 111.8 | N600 A604 I605 E606 | N600-D602 PolarHBondContact O-N 3.02Å; D602-A604 PolarHBondContact O-N 2.85Å; D602-I605 WeakPolarHBondContact O-CB 3.42Å; D602-I605 PolarHBondContact O-N 3.33Å; D602-E606 PolarHBondContact O-N 2.93Å |
| 603 | T | 84.2 | Confident | 87.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 175.9 | 56.8 | 0 | 0 | 0 | 0 | 113 | N571 M573 A595 N600 L601 I605 E606 L607 | N571-T603 VanDerWaalsContact CA-CG2 3.45Å; N571-T603 HydrophobicContact CB-CG2 4.04Å; N571-T603 WeakPolarHBondContact OD1-CG2 3.4Å; M573-T603 HydrophobicContact SD-CG2 4.33Å; A595-T603 WeakPolarHBondContact CB-OG1 3.15Å; N600-T603 HydrophobicContact CB-CG2 4.48Å; N600-T603 WeakPolarHBondContact CB-OG1 3Å; N600-T603 PolarHBondContact O-N 2.86Å; N600-T603 PolarHBondContact O-OG1 3.46Å; L601-T603 PolarHBondContact O-N 3.39Å; T603-I605 VanDerWaalsContact C-N 3.32Å; T603-I605 PolarHBondContact O-N 3.3Å; T603-E606 PolarHBondContact O-N 3.45Å; T603-L607 WeakPolarHBondContact O-CB 3.25Å; T603-L607 VanDerWaalsContact O-CG 3.26Å; T603-L607 WeakPolarHBondContact O-CG 3.41Å; T603-L607 PolarHBondContact O-N 3.43Å |
| 604 | A | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | L592 A595 N600 L601 D602 L607 I608 M636 L639 | L592-A604 HydrophobicContact CD1-CB 3.92Å; A595-A604 HydrophobicContact CB-CB 4.49Å; N600-A604 PolarHBondContact O-N 3.4Å; N600-A604 VanDerWaalsContact O-N 3.12Å; L601-A604 PolarHBondContact O-N 3.38Å; L601-A604 VanDerWaalsContact O-N 3.12Å; D602-A604 PolarHBondContact O-N 2.85Å; A604-L607 PolarHBondContact O-N 2.97Å; A604-I608 WeakPolarHBondContact O-CB 3.28Å; A604-I608 WeakPolarHBondContact O-CG1 3.35Å; A604-I608 PolarHBondContact O-N 2.95Å; A604-M636 HydrophobicContact CB-CE 3.36Å; A604-M636 HydrophobicContact CB-SD 4.23Å; A604-L639 HydrophobicContact CB-CD2 4.31Å |
| 605 | I | 90.2 | Very high | 87.7 | Confident | 65 Ų | 65 | 45.4 Ų | 45.4 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 174.2 | -66.2 | 168.1 | 0 | 0 | 0 | 109.9 | L601 D602 T603 I608 K609 L639 | L601-I605 VanDerWaalsContact O-CG1 3.31Å; L601-I605 WeakPolarHBondContact O-CG1 3.48Å; L601-I605 PolarHBondContact O-N 3.13Å; D602-I605 WeakPolarHBondContact O-CB 3.42Å; D602-I605 PolarHBondContact O-N 3.33Å; T603-I605 VanDerWaalsContact C-N 3.32Å; T603-I605 PolarHBondContact O-N 3.3Å; I605-I608 PolarHBondContact O-N 2.9Å; I605-K609 HydrophobicContact CG2-CD 4.03Å; I605-K609 HydrophobicContact CG2-CG 4.47Å; I605-K609 WeakPolarHBondContact O-CB 3.49Å; I605-K609 VanDerWaalsContact O-CG 3.29Å; I605-K609 WeakPolarHBondContact O-CG 3.45Å; I605-K609 PolarHBondContact O-N 3.24Å; I605-L639 HydrophobicContact CD1-CD1 4.23Å; I605-L639 HydrophobicContact CG1-CD1 3.46Å; I605-L639 VanDerWaalsContact CG1-CD1 3.46Å |
| 606 | E | 84.9 | Confident | 87.8 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -45 | 178.4 | -72.6 | -175.9 | 169.9 | 0 | 0 | 112.3 | M573 D602 T603 I608 K609 L610 | M573-E606 HydrophobicContact CE-CB 3.42Å; M573-E606 VanDerWaalsContact CE-CB 3.42Å; D602-E606 PolarHBondContact O-N 2.93Å; T603-E606 PolarHBondContact O-N 3.45Å; E606-I608 VanDerWaalsContact C-N 3.32Å; E606-I608 PolarHBondContact O-N 3.46Å; E606-K609 PolarHBondContact O-N 3.1Å; E606-L610 WeakPolarHBondContact O-CB 3.36Å; E606-L610 VanDerWaalsContact O-CG 3.29Å; E606-L610 WeakPolarHBondContact O-CG 3.26Å; E606-L610 PolarHBondContact O-N 2.81Å |
| 607 | L | 88.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 178.6 | -75.8 | 173.3 | 0 | 0 | 0 | 111.1 | F564 M573 I581 P591 L592 A595 T603 A604 L610 G611 A612 | F564-L607 HydrophobicContact CE1-CD2 4.34Å; M573-L607 HydrophobicContact CE-CB 4.31Å; M573-L607 HydrophobicContact CE-CD2 3.51Å; M573-L607 HydrophobicContact CE-CG 3.5Å; M573-L607 HydrophobicContact SD-CD1 4Å; M573-L607 HydrophobicContact SD-CD2 3.4Å; M573-L607 WeakPolarHBondContact SD-CD2 3.46Å; M573-L607 HydrophobicContact SD-CG 3.4Å; M573-L607 WeakPolarHBondContact SD-CG 3.46Å; I581-L607 HydrophobicContact CG2-CD2 3.74Å; P591-L607 HydrophobicContact CB-CD1 4.1Å; P591-L607 HydrophobicContact CB-CD2 4.4Å; P591-L607 HydrophobicContact CG-CD2 4.44Å; L592-L607 HydrophobicContact CB-CD1 3.97Å; L592-L607 HydrophobicContact CD1-CB 4.24Å; L592-L607 HydrophobicContact CD1-CD1 4.18Å; A595-L607 HydrophobicContact CB-CD1 4.43Å; T603-L607 WeakPolarHBondContact O-CB 3.25Å; T603-L607 VanDerWaalsContact O-CG 3.26Å; T603-L607 WeakPolarHBondContact O-CG 3.41Å; T603-L607 PolarHBondContact O-N 3.43Å; A604-L607 PolarHBondContact O-N 2.97Å; L607-L610 PolarHBondContact O-N 2.83Å; L607-G611 PolarHBondContact O-N 2.97Å; L607-G611 VanDerWaalsContact O-N 3.16Å; L607-A612 HydrophobicContact CB-CB 3.87Å; L607-A612 WeakPolarHBondContact O-CB 3.37Å; L607-A612 PolarHBondContact O-N 3.35Å |
| 608 | I | 89.7 | Confident | 87.9 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.138 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 178.8 | -68.2 | 172.5 | 0 | 0 | 0 | 110.9 | L592 A604 I605 E606 L610 G611 V614 L639 L640 N643 | L592-I608 HydrophobicContact CD1-CD1 4.49Å; L592-I608 HydrophobicContact CD1-CG1 4.24Å; L592-I608 HydrophobicContact CD2-CG1 4.34Å; A604-I608 WeakPolarHBondContact O-CB 3.28Å; A604-I608 WeakPolarHBondContact O-CG1 3.35Å; A604-I608 PolarHBondContact O-N 2.95Å; I605-I608 PolarHBondContact O-N 2.9Å; E606-I608 VanDerWaalsContact C-N 3.32Å; E606-I608 PolarHBondContact O-N 3.46Å; I608-L610 VanDerWaalsContact C-N 3.26Å; I608-L610 PolarHBondContact O-N 3.31Å; I608-G611 WeakPolarHBondContact O-CA 3.45Å; I608-G611 PolarHBondContact O-N 3.26Å; I608-V614 HydrophobicContact CD1-CG2 4.31Å; I608-V614 HydrophobicContact CG1-CG2 4.17Å; I608-L639 HydrophobicContact CD1-CD2 3.3Å; I608-L640 HydrophobicContact CD1-CD2 4.39Å; I608-N643 HydrophobicContact CD1-CB 4.17Å; I608-N643 HydrophobicContact CG2-CB 4.19Å; I608-N643 WeakPolarHBondContact CG2-OD1 3.36Å |
| 609 | K | 87.2 | Confident | 88.1 | Confident | 170 Ų | 170 | 45.7 Ų | 45.7 | 74% | 0.739 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.9 | -37.4 | 173.8 | -77.4 | 174.7 | 179.5 | 175.7 | 0 | 112.2 | I605 E606 G611 | I605-K609 HydrophobicContact CG2-CD 4.03Å; I605-K609 HydrophobicContact CG2-CG 4.47Å; I605-K609 WeakPolarHBondContact O-CB 3.49Å; I605-K609 VanDerWaalsContact O-CG 3.29Å; I605-K609 WeakPolarHBondContact O-CG 3.45Å; I605-K609 PolarHBondContact O-N 3.24Å; E606-K609 PolarHBondContact O-N 3.1Å; K609-G611 PolarHBondContact O-N 3.08Å |
| 610 | L | 84.2 | Confident | 88.3 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.1 | -12.4 | 175 | -68.4 | 169.2 | 0 | 0 | 0 | 112.8 | M573 S576 I581 E606 L607 I608 | M573-L610 HydrophobicContact CE-CD1 4.13Å; S576-L610 WeakPolarHBondContact OG-CD1 3.38Å; I581-L610 HydrophobicContact CD1-CB 3.63Å; I581-L610 WeakPolarHBondContact CD1-O 3.31Å; I581-L610 HydrophobicContact CG1-CB 4.14Å; E606-L610 WeakPolarHBondContact O-CB 3.36Å; E606-L610 VanDerWaalsContact O-CG 3.29Å; E606-L610 WeakPolarHBondContact O-CG 3.26Å; E606-L610 PolarHBondContact O-N 2.81Å; L607-L610 PolarHBondContact O-N 2.83Å; I608-L610 VanDerWaalsContact C-N 3.26Å; I608-L610 PolarHBondContact O-N 3.31Å |
| 611 | G | 86.5 | Confident | 88.5 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 57% | 0.567 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | 22.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L607 I608 K609 | L607-G611 PolarHBondContact O-N 2.97Å; L607-G611 VanDerWaalsContact O-N 3.16Å; I608-G611 WeakPolarHBondContact O-CA 3.45Å; I608-G611 PolarHBondContact O-N 3.26Å; K609-G611 PolarHBondContact O-N 3.08Å |
| 612 | A | 88.6 | Confident | 88.9 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -55.7 | 140 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I581 L592 L607 V614 | I581-A612 HydrophobicContact CG2-CB 3.64Å; L592-A612 HydrophobicContact CB-CB 4.45Å; L592-A612 HydrophobicContact CD2-CB 4.06Å; L607-A612 HydrophobicContact CB-CB 3.87Å; L607-A612 WeakPolarHBondContact O-CB 3.37Å; L607-A612 PolarHBondContact O-N 3.35Å; A612-V614 PolarHBondContact O-N 3.25Å | ||
| 613 | N | 90.8 | Very high | 89.4 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | trans | -77.1 | 101.5 | 179.5 | -175.1 | -8.3 | 0 | 0 | 0 | 111.7 | D582 N615 A616 | D582-N613 PolarHBondContact OD1-N 3.01Å; D582-N613 WeakPolarHBondContact OD2-CB 3.26Å; D582-N613 PolarHBondContact OD2-N 3.04Å; N613-N615 PolarHBondContact O-N 3.23Å; N613-N615 WeakPolarHBondContact OD1-CA 3.34Å; N613-N615 PolarHBondContact OD1-N 3.11Å; N613-A616 HydrophobicContact CB-CB 4.31Å; N613-A616 VanDerWaalsContact O-CB 3.3Å; N613-A616 WeakPolarHBondContact O-CB 3.23Å; N613-A616 PolarHBondContact O-N 2.91Å; N613-A616 PolarHBondContact OD1-N 2.97Å | ||
| 614 | V | 94.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.6 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | L592 I608 A612 P624 L640 N643 A645 | L592-V614 HydrophobicContact CD2-CG2 4.46Å; I608-V614 HydrophobicContact CD1-CG2 4.31Å; I608-V614 HydrophobicContact CG1-CG2 4.17Å; A612-V614 PolarHBondContact O-N 3.25Å; V614-P624 VanDerWaalsContact O-CD 3.28Å; V614-P624 WeakPolarHBondContact O-CD 3.29Å; V614-P624 WeakPolarHBondContact O-CG 3.33Å; V614-L640 HydrophobicContact CG1-CB 4.45Å; V614-L640 HydrophobicContact CG1-CD2 3.89Å; V614-N643 HydrophobicContact CG2-CB 4.27Å; V614-A645 HydrophobicContact CG1-CB 3.68Å |
| 615 | N | 94.6 | Very high | 90.3 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 17.5 | -178.4 | -69.5 | -61 | 0 | 0 | 0 | 113.6 | N613 G644 L646 | N613-N615 PolarHBondContact O-N 3.23Å; N613-N615 WeakPolarHBondContact OD1-CA 3.34Å; N613-N615 PolarHBondContact OD1-N 3.11Å; N615-G644 PolarHBondContact ND2-O 2.98Å; N615-L646 HydrophobicContact CB-CD1 4.48Å; N615-L646 WeakPolarHBondContact OD1-CB 3.3Å; N615-L646 WeakPolarHBondContact OD1-CG 3.44Å; N615-L646 PolarHBondContact OD1-N 3.4Å |
| 616 | A | 91.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | trans | -54.2 | 153.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T590 M593 N613 T623 P624 | T590-A616 HydrophobicContact CG2-CB 3.75Å; M593-A616 HydrophobicContact CE-CB 3.66Å; M593-A616 VanDerWaalsContact CE-O 3.26Å; M593-A616 WeakPolarHBondContact CE-O 3.34Å; N613-A616 HydrophobicContact CB-CB 4.31Å; N613-A616 VanDerWaalsContact O-CB 3.3Å; N613-A616 WeakPolarHBondContact O-CB 3.23Å; N613-A616 PolarHBondContact O-N 2.91Å; N613-A616 PolarHBondContact OD1-N 2.97Å; A616-T623 VanDerWaalsContact O-CA 3.3Å; A616-T623 WeakPolarHBondContact O-CA 3.41Å; A616-P624 WeakPolarHBondContact O-CD 3.41Å | ||
| 617 | R | 90.9 | Very high | 90.9 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | trans | -132 | 133 | -177.4 | -75 | -177.4 | -177.6 | 155.7 | 4.5 | 111.5 | R621 W622 T623 | R617-R621 VanDerWaalsContact NH1-NH2 3.15Å; R617-W622 VanDerWaalsContact CA-O 3.3Å; R617-W622 WeakPolarHBondContact CA-O 3.05Å; R617-T623 HydrophobicContact CG-CG2 3.92Å | ||
| 618 | D | 89.9 | Confident | 91.1 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | trans | -80.3 | -174.8 | 173.5 | 75.6 | 2.9 | 0 | 0 | 0 | 112.3 | F587 Y588 K589 M593 F620 R621 W622 H627 | F587-D618 WeakPolarHBondContact O-CB 3.4Å; Y588-D618 WeakPolarHBondContact O-CA 3.48Å; K589-D618 HydrophobicContact CG-CB 4.24Å; M593-D618 HydrophobicContact CE-CB 4.48Å; M593-D618 HydrophobicContact SD-CB 3.99Å; D618-F620 PolarHBondContact O-N 3.22Å; D618-F620 VanDerWaalsContact OD1-C 3.23Å; D618-F620 VanDerWaalsContact OD1-CA 3.29Å; D618-F620 WeakPolarHBondContact OD1-CA 3.4Å; D618-F620 WeakPolarHBondContact OD1-CB 3.06Å; D618-F620 PolarHBondContact OD1-N 2.94Å; D618-R621 WeakPolarHBondContact O-CA 3.09Å; D618-R621 PolarHBondContact O-N 2.81Å; D618-R621 PolarHBondContact OD1-N 2.84Å; D618-W622 PolarHBondContact N-O 3.32Å; D618-W622 WeakPolarHBondContact OD1-CB 3.39Å; D618-W622 PolarHBondContact OD1-N 3.02Å; D618-H627 IonicContact OD2-CE1 3.88Å; D618-H627 IonicContact OD2-NE2 3.33Å; D618-H627 PolarHBondContact OD2-NE2 3.17Å | ||
| 619 | N | 86.8 | Confident | 91.2 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.8 | 178.5 | -83.1 | -15.4 | 0 | 0 | 0 | 113.7 | C504 F587 Y588 R621 | C504-N619 PolarHBondContact O-ND2 3.3Å; C504-N619 VanDerWaalsContact O-ND2 3.1Å; F587-N619 PolarHBondContact O-N 3.27Å; F587-N619 VanDerWaalsContact O-N 3.08Å; Y588-N619 WeakPolarHBondContact CD2-OD1 2.93Å; Y588-N619 VanDerWaalsContact CG-OD1 3.32Å; N619-R621 VanDerWaalsContact C-N 3.32Å |
| 620 | F | 88.1 | Confident | 91.3 | Very high | 110 Ų | 110 | 36 Ų | 36 | 48% | 0.482 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.3 | 174.1 | -54.7 | -72.4 | 0 | 0 | 0 | 112.6 | D618 W622 L652 | D618-F620 PolarHBondContact O-N 3.22Å; D618-F620 VanDerWaalsContact OD1-C 3.23Å; D618-F620 VanDerWaalsContact OD1-CA 3.29Å; D618-F620 WeakPolarHBondContact OD1-CA 3.4Å; D618-F620 WeakPolarHBondContact OD1-CB 3.06Å; D618-F620 PolarHBondContact OD1-N 2.94Å; F620-W622 HydrophobicContact CB-CG 4.48Å; F620-W622 PolarHBondContact O-N 3.39Å; F620-L652 VanDerWaalsContact O-CB 3.3Å; F620-L652 WeakPolarHBondContact O-CB 3.24Å; F620-L652 PolarHBondContact O-N 2.92Å |
| 621 | R | 89.3 | Confident | 91.3 | Very high | 99 Ų | 99 | 33.5 Ų | 33.5 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | trans | 60 | 23.4 | -174.1 | -55.8 | -179.9 | 62.5 | -177 | -0.1 | 114 | R617 D618 N619 | R617-R621 VanDerWaalsContact NH1-NH2 3.15Å; D618-R621 WeakPolarHBondContact O-CA 3.09Å; D618-R621 PolarHBondContact O-N 2.81Å; D618-R621 PolarHBondContact OD1-N 2.84Å; N619-R621 VanDerWaalsContact C-N 3.32Å | ||
| 622 | W | 94 | Very high | 91.3 | Very high | 40 Ų | 40 | 31 Ų | 31 | 15% | 0.152 | 15% | 0.146 | C | C | . | . | trans | -73.8 | 137.3 | 170.7 | -73.8 | 23.3 | 0 | 0 | 0 | 109.5 | R617 D618 F620 H626 H627 H630 R660 | R617-W622 VanDerWaalsContact CA-O 3.3Å; R617-W622 WeakPolarHBondContact CA-O 3.05Å; D618-W622 PolarHBondContact N-O 3.32Å; D618-W622 WeakPolarHBondContact OD1-CB 3.39Å; D618-W622 PolarHBondContact OD1-N 3.02Å; F620-W622 HydrophobicContact CB-CG 4.48Å; F620-W622 PolarHBondContact O-N 3.39Å; W622-H626 HydrophobicContact CB-CB 3.83Å; W622-H626 HydrophobicContact CD2-CB 4.04Å; W622-H626 HydrophobicContact CE3-CB 4.2Å; W622-H626 HydrophobicContact CG-CB 3.88Å; W622-H627 AromaticContact CE3-CE1 3.45Å; W622-H627 VanDerWaalsContact CE3-CE1 3.45Å; W622-H627 AromaticContact CE3-ND1 3.6Å; W622-H627 AromaticContact CE3-NE2 3.83Å; W622-H627 AromaticContact CZ3-ND1 3.97Å; W622-H630 HydrophobicContact CZ3-CB 4.29Å; W622-R660 VanDerWaalsContact CZ2-NE 3.35Å | ||
| 623 | T | 94.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -92.3 | 165 | 170.7 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | A616 R617 L625 H626 H627 A649 | A616-T623 VanDerWaalsContact O-CA 3.3Å; A616-T623 WeakPolarHBondContact O-CA 3.41Å; R617-T623 HydrophobicContact CG-CG2 3.92Å; T623-L625 PolarHBondContact O-N 3.07Å; T623-L625 VanDerWaalsContact O-N 3.1Å; T623-H626 PolarHBondContact N-ND1 3.03Å; T623-H626 WeakPolarHBondContact O-CB 3.19Å; T623-H626 PolarHBondContact O-N 2.62Å; T623-H626 PolarHBondContact OG1-ND1 3.01Å; T623-H627 PolarHBondContact O-CD2 2.66Å; T623-H627 PolarHBondContact O-N 2.81Å; T623-A649 HydrophobicContact CG2-CB 3.77Å | ||
| 624 | P | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -46.5 | -38.6 | 168.5 | -29.2 | 34.4 | 0 | 0 | 0 | 112.8 | L592 M593 A596 V614 A616 H626 H627 A628 L640 | L592-P624 HydrophobicContact CD2-CB 4.41Å; L592-P624 HydrophobicContact CD2-CG 4.05Å; L592-P624 HydrophobicContact CG-CB 4.2Å; L592-P624 HydrophobicContact CG-CG 4.12Å; M593-P624 HydrophobicContact CG-CB 4.36Å; M593-P624 HydrophobicContact CG-CG 3.79Å; A596-P624 HydrophobicContact CB-CB 4.19Å; A596-P624 WeakPolarHBondContact CB-O 3.27Å; V614-P624 VanDerWaalsContact O-CD 3.28Å; V614-P624 WeakPolarHBondContact O-CD 3.29Å; V614-P624 WeakPolarHBondContact O-CG 3.33Å; A616-P624 WeakPolarHBondContact O-CD 3.41Å; P624-H626 VanDerWaalsContact C-N 3.34Å; P624-H626 PolarHBondContact O-N 3.21Å; P624-H627 PolarHBondContact O-N 2.89Å; P624-H627 VanDerWaalsContact O-N 3.16Å; P624-A628 PolarHBondContact O-N 3.37Å; P624-L640 HydrophobicContact CB-CD1 3.99Å; P624-L640 HydrophobicContact CB-CD2 4Å |
| 625 | L | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | 176.1 | -170 | 62.6 | 0 | 0 | 0 | 114 | T623 A629 V637 L640 I641 A645 P657 F673 | T623-L625 PolarHBondContact O-N 3.07Å; T623-L625 VanDerWaalsContact O-N 3.1Å; L625-A629 WeakPolarHBondContact O-CB 3.49Å; L625-A629 PolarHBondContact O-N 3.46Å; L625-V637 HydrophobicContact CD1-CB 4.28Å; L625-V637 HydrophobicContact CD1-CG1 3.9Å; L625-V637 HydrophobicContact CD1-CG2 4.13Å; L625-L640 HydrophobicContact CD1-CB 4.26Å; L625-I641 HydrophobicContact CD1-CD1 4.2Å; L625-I641 HydrophobicContact CD1-CG1 3.92Å; L625-I641 HydrophobicContact CD2-CG1 4.22Å; L625-A645 HydrophobicContact CB-CB 4.22Å; L625-A645 HydrophobicContact CD1-CB 4.49Å; L625-A645 HydrophobicContact CD2-CB 3.95Å; L625-A645 HydrophobicContact CG-CB 4.46Å; L625-P657 HydrophobicContact CB-CG 4.38Å; L625-P657 HydrophobicContact CD2-CB 4.29Å; L625-P657 HydrophobicContact CD2-CG 3.88Å; L625-P657 HydrophobicContact CG-CB 4.02Å; L625-P657 HydrophobicContact CG-CG 3.92Å; L625-F673 HydrophobicContact CD1-CE1 4.23Å; L625-F673 HydrophobicContact CD1-CZ 4.08Å; L625-F673 HydrophobicContact CD2-CE1 4.22Å; L625-F673 HydrophobicContact CG-CE1 4.27Å; L625-F673 HydrophobicContact CG-CZ 4.25Å |
| 626 | H | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.5 | -40.1 | 173.2 | -73.3 | 81.2 | 0 | 0 | 0 | 111.7 | W622 T623 P624 A629 H630 A649 A655 | W622-H626 HydrophobicContact CB-CB 3.83Å; W622-H626 HydrophobicContact CD2-CB 4.04Å; W622-H626 HydrophobicContact CE3-CB 4.2Å; W622-H626 HydrophobicContact CG-CB 3.88Å; T623-H626 PolarHBondContact N-ND1 3.03Å; T623-H626 WeakPolarHBondContact O-CB 3.19Å; T623-H626 PolarHBondContact O-N 2.62Å; T623-H626 PolarHBondContact OG1-ND1 3.01Å; P624-H626 VanDerWaalsContact C-N 3.34Å; P624-H626 PolarHBondContact O-N 3.21Å; H626-A629 PolarHBondContact O-N 3.47Å; H626-H630 VanDerWaalsContact O-CB 3.31Å; H626-H630 WeakPolarHBondContact O-CB 3.45Å; H626-H630 PolarHBondContact O-N 3.33Å; H626-A649 PolarHBondContact CE1-O 3.13Å; H626-A649 PolarHBondContact NE2-O 3.32Å; H626-A655 PolarHBondContact NE2-O 3.29Å |
| 627 | H | 92.7 | Very high | 91 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 177.6 | -71.3 | -77.8 | 0 | 0 | 0 | 110.6 | A596 H597 D618 W622 T623 P624 A629 H630 S631 | A596-H627 HydrophobicContact CB-CB 4.24Å; H597-H627 HydrophobicContact CB-CB 4.19Å; D618-H627 IonicContact OD2-CE1 3.88Å; D618-H627 IonicContact OD2-NE2 3.33Å; D618-H627 PolarHBondContact OD2-NE2 3.17Å; W622-H627 AromaticContact CE3-CE1 3.45Å; W622-H627 VanDerWaalsContact CE3-CE1 3.45Å; W622-H627 AromaticContact CE3-ND1 3.6Å; W622-H627 AromaticContact CE3-NE2 3.83Å; W622-H627 AromaticContact CZ3-ND1 3.97Å; T623-H627 PolarHBondContact O-CD2 2.66Å; T623-H627 PolarHBondContact O-N 2.81Å; P624-H627 PolarHBondContact O-N 2.89Å; P624-H627 VanDerWaalsContact O-N 3.16Å; H627-A629 PolarHBondContact O-N 3.3Å; H627-H630 PolarHBondContact O-N 3.06Å; H627-S631 PolarHBondContact O-N 3.29Å; H627-S631 PolarHBondContact O-OG 2.76Å; H627-S631 VanDerWaalsContact O-OG 3.13Å |
| 628 | A | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A596 P624 H630 S631 G632 M633 M636 V637 L640 | A596-A628 HydrophobicContact CB-CB 4.22Å; A596-A628 WeakPolarHBondContact O-CA 3.23Å; P624-A628 PolarHBondContact O-N 3.37Å; A628-H630 VanDerWaalsContact C-N 3.34Å; A628-S631 WeakPolarHBondContact CA-OG 3.26Å; A628-S631 PolarHBondContact O-N 3.01Å; A628-S631 PolarHBondContact O-OG 2.75Å; A628-S631 VanDerWaalsContact O-OG 3.09Å; A628-G632 PolarHBondContact O-N 3.03Å; A628-G632 VanDerWaalsContact O-N 3.15Å; A628-M633 PolarHBondContact O-N 3.03Å; A628-M633 VanDerWaalsContact O-N 3.12Å; A628-M636 HydrophobicContact CB-CB 4.22Å; A628-M636 HydrophobicContact CB-CG 3.83Å; A628-V637 HydrophobicContact CB-CG2 3.7Å; A628-L640 HydrophobicContact CB-CD1 3.9Å |
| 629 | A | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.5 | -33.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L625 H626 H627 G632 P657 R660 L669 F673 | L625-A629 WeakPolarHBondContact O-CB 3.49Å; L625-A629 PolarHBondContact O-N 3.46Å; H626-A629 PolarHBondContact O-N 3.47Å; H627-A629 PolarHBondContact O-N 3.3Å; A629-G632 PolarHBondContact O-N 2.85Å; A629-P657 HydrophobicContact CB-CB 4.13Å; A629-P657 WeakPolarHBondContact CB-O 3.48Å; A629-R660 HydrophobicContact CB-CB 4.08Å; A629-L669 HydrophobicContact CB-CD2 4.35Å; A629-L669 WeakPolarHBondContact O-CD2 3.13Å; A629-F673 HydrophobicContact CB-CE2 3.77Å; A629-F673 HydrophobicContact CB-CZ 3.9Å |
| 630 | H | 89.7 | Confident | 91.9 | Very high | 73 Ų | 73 | 25 Ų | 25 | 34% | 0.338 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -75.5 | -27.8 | 176.7 | -172.3 | 53.1 | 0 | 0 | 0 | 113 | W622 H626 H627 A628 G632 R660 C664 | W622-H630 HydrophobicContact CZ3-CB 4.29Å; H626-H630 VanDerWaalsContact O-CB 3.31Å; H626-H630 WeakPolarHBondContact O-CB 3.45Å; H626-H630 PolarHBondContact O-N 3.33Å; H627-H630 PolarHBondContact O-N 3.06Å; A628-H630 VanDerWaalsContact C-N 3.34Å; H630-G632 VanDerWaalsContact C-N 3.33Å; H630-R660 HydrophobicContact CB-CB 4.19Å; H630-C664 VanDerWaalsContact C-SG 3.59Å; H630-C664 VanDerWaalsContact CA-SG 3.58Å; H630-C664 PolarHBondContact ND1-SG 3.33Å; H630-C664 PolarHBondContact O-SG 3.02Å |
| 631 | S | 85.2 | Confident | 92.2 | Very high | 31 Ų | 31 | 20.9 Ų | 20.9 | 22% | 0.217 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -83.6 | -10.7 | 172.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | A596 H597 H627 A628 M633 | A596-S631 PolarHBondContact O-OG 3.24Å; H597-S631 WeakPolarHBondContact O-CB 3.41Å; H597-S631 PolarHBondContact O-OG 3.06Å; H627-S631 PolarHBondContact O-N 3.29Å; H627-S631 PolarHBondContact O-OG 2.76Å; H627-S631 VanDerWaalsContact O-OG 3.13Å; A628-S631 WeakPolarHBondContact CA-OG 3.26Å; A628-S631 PolarHBondContact O-N 3.01Å; A628-S631 PolarHBondContact O-OG 2.75Å; A628-S631 VanDerWaalsContact O-OG 3.09Å; S631-M633 VanDerWaalsContact C-N 3.32Å; S631-M633 VanDerWaalsContact OG-CG 3.28Å; S631-M633 WeakPolarHBondContact OG-CG 3.29Å |
| 632 | G | 85.1 | Confident | 92.5 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 15.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A628 A629 H630 I634 | A628-G632 PolarHBondContact O-N 3.03Å; A628-G632 VanDerWaalsContact O-N 3.15Å; A629-G632 PolarHBondContact O-N 2.85Å; H630-G632 VanDerWaalsContact C-N 3.33Å; G632-I634 PolarHBondContact O-N 2.77Å; G632-I634 VanDerWaalsContact O-N 3.11Å |
| 633 | M | 86.5 | Confident | 92.6 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | trans | -83 | 89.3 | -173.3 | -60.3 | -57.6 | -77.2 | 0 | 0 | 111.1 | A628 S631 M636 V637 Y817 F821 | A628-M633 PolarHBondContact O-N 3.03Å; A628-M633 VanDerWaalsContact O-N 3.12Å; S631-M633 VanDerWaalsContact C-N 3.32Å; S631-M633 VanDerWaalsContact OG-CG 3.28Å; S631-M633 WeakPolarHBondContact OG-CG 3.29Å; M633-M636 HydrophobicContact CB-CB 3.71Å; M633-M636 WeakPolarHBondContact O-CB 3.49Å; M633-M636 PolarHBondContact O-N 3.19Å; M633-V637 WeakPolarHBondContact O-CG2 3.39Å; M633-V637 PolarHBondContact O-N 3.47Å; M633-Y817 HydrophobicContact CB-CE1 4.38Å; M633-Y817 HydrophobicContact CE-CD1 4.06Å; M633-Y817 HydrophobicContact CE-CD2 3.85Å; M633-Y817 HydrophobicContact CE-CE1 3.75Å; M633-Y817 HydrophobicContact CE-CE2 3.56Å; M633-Y817 HydrophobicContact CE-CG 4.1Å; M633-Y817 VanDerWaalsContact CE-CZ 3.47Å; M633-Y817 HydrophobicContact SD-CD1 3.61Å; M633-Y817 HydrophobicContact SD-CD2 4.22Å; M633-Y817 HydrophobicContact SD-CE1 3.74Å; M633-Y817 HydrophobicContact SD-CE2 4.38Å; M633-Y817 HydrophobicContact SD-CG 3.85Å; M633-F821 HydrophobicContact CE-CE2 3.7Å; M633-F821 HydrophobicContact CE-CZ 4.33Å; M633-F821 HydrophobicContact SD-CD2 4.32Å; M633-F821 HydrophobicContact SD-CE2 3.94Å | ||
| 634 | I | 89.6 | Confident | 92.5 | Very high | 35 Ų | 35 | 25.8 Ų | 25.8 | 18% | 0.179 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -52.8 | -176.7 | -63.2 | 165.8 | 0 | 0 | 0 | 111.5 | G632 M636 V637 E638 N668 L669 | G632-I634 PolarHBondContact O-N 2.77Å; G632-I634 VanDerWaalsContact O-N 3.11Å; I634-M636 PolarHBondContact O-N 2.95Å; I634-V637 CarbonylContact O-C 3.56Å; I634-V637 WeakPolarHBondContact O-CA 3.33Å; I634-V637 WeakPolarHBondContact O-CB 3.48Å; I634-V637 PolarHBondContact O-N 3.5Å; I634-E638 HydrophobicContact CG2-CG 4.17Å; I634-E638 VanDerWaalsContact O-CG 3.24Å; I634-E638 WeakPolarHBondContact O-CG 3.49Å; I634-E638 PolarHBondContact O-N 3.34Å; I634-N668 HydrophobicContact CD1-CB 3.59Å; I634-L669 HydrophobicContact CB-CD1 4.33Å; I634-L669 HydrophobicContact CD1-CB 4.44Å; I634-L669 HydrophobicContact CG1-CB 3.94Å; I634-L669 HydrophobicContact CG1-CD1 3.63Å; I634-L669 HydrophobicContact CG1-CG 4.41Å |
| 635 | D | 91 | Very high | 92.4 | Very high | 30 Ų | 30 | 26.1 Ų | 26.1 | 16% | 0.16 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.9 | -36.5 | -178.3 | -58.3 | -26.9 | 0 | 0 | 0 | 111.8 | L601 E638 L639 R816 Y817 | L601-D635 HydrophobicContact CD1-CB 3.87Å; L601-D635 HydrophobicContact CD2-CB 4.04Å; D635-E638 PolarHBondContact O-N 3.43Å; D635-L639 WeakPolarHBondContact O-CB 3.41Å; D635-L639 PolarHBondContact O-N 3.27Å; D635-R816 IonicContact OD1-CZ 3.18Å; D635-R816 IonicContact OD1-NE 2.67Å; D635-R816 IonicContact OD1-NH2 3.22Å; D635-R816 PolarHBondContact OD1-NH2 3.36Å; D635-R816 IonicContact OD2-CZ 2.97Å; D635-R816 VanDerWaalsContact OD2-CZ 3.26Å; D635-R816 IonicContact OD2-NE 3.02Å; D635-R816 PolarHBondContact OD2-NE 3.06Å; D635-R816 VanDerWaalsContact OD2-NE 3.17Å; D635-R816 IonicContact OD2-NH2 3.73Å; D635-R816 PolarHBondContact OD2-NH2 3.27Å; D635-Y817 WeakPolarHBondContact CB-OH 3.25Å; D635-Y817 VanDerWaalsContact CG-OH 3.25Å; D635-Y817 PolarHBondContact OD2-OH 2.91Å |
| 636 | M | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.4 | -40.6 | 175.2 | -170.7 | 107 | -67.6 | 0 | 0 | 111.8 | A596 L601 A604 A628 M633 I634 L639 L640 | A596-M636 WeakPolarHBondContact CA-SD 3.48Å; A596-M636 HydrophobicContact CB-CG 4.31Å; A596-M636 HydrophobicContact CB-SD 4.38Å; L601-M636 HydrophobicContact CB-CE 4.31Å; L601-M636 HydrophobicContact CD2-CE 3.56Å; L601-M636 HydrophobicContact CG-CE 3.93Å; A604-M636 HydrophobicContact CB-CE 3.36Å; A604-M636 HydrophobicContact CB-SD 4.23Å; A628-M636 HydrophobicContact CB-CB 4.22Å; A628-M636 HydrophobicContact CB-CG 3.83Å; M633-M636 HydrophobicContact CB-CB 3.71Å; M633-M636 WeakPolarHBondContact O-CB 3.49Å; M633-M636 PolarHBondContact O-N 3.19Å; I634-M636 PolarHBondContact O-N 2.95Å; M636-L639 HydrophobicContact CE-CD1 4.4Å; M636-L639 PolarHBondContact O-N 2.69Å; M636-L640 HydrophobicContact CG-CD1 4.24Å; M636-L640 WeakPolarHBondContact O-CB 3.48Å; M636-L640 VanDerWaalsContact O-CG 3.23Å; M636-L640 WeakPolarHBondContact O-CG 3.31Å; M636-L640 PolarHBondContact O-N 3.21Å |
| 637 | V | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.2 | 165.3 | 0 | 0 | 0 | 0 | 110.9 | L625 A628 M633 I634 L640 I641 L669 Y672 F673 | L625-V637 HydrophobicContact CD1-CB 4.28Å; L625-V637 HydrophobicContact CD1-CG1 3.9Å; L625-V637 HydrophobicContact CD1-CG2 4.13Å; A628-V637 HydrophobicContact CB-CG2 3.7Å; M633-V637 WeakPolarHBondContact O-CG2 3.39Å; M633-V637 PolarHBondContact O-N 3.47Å; I634-V637 CarbonylContact O-C 3.56Å; I634-V637 WeakPolarHBondContact O-CA 3.33Å; I634-V637 WeakPolarHBondContact O-CB 3.48Å; I634-V637 PolarHBondContact O-N 3.5Å; V637-L640 PolarHBondContact O-N 2.78Å; V637-I641 HydrophobicContact CG1-CD1 3.66Å; V637-I641 HydrophobicContact CG1-CG1 4.45Å; V637-I641 WeakPolarHBondContact O-CB 3.17Å; V637-I641 WeakPolarHBondContact O-CG1 3.19Å; V637-I641 PolarHBondContact O-N 3.4Å; V637-L669 HydrophobicContact CB-CD1 4.21Å; V637-L669 HydrophobicContact CG2-CD1 3.76Å; V637-Y672 HydrophobicContact CG1-CD1 4.04Å; V637-Y672 HydrophobicContact CG1-CE1 4.1Å; V637-F673 HydrophobicContact CG1-CE1 4.14Å; V637-F673 HydrophobicContact CG1-CE2 4.1Å; V637-F673 HydrophobicContact CG1-CZ 3.68Å; V637-F673 HydrophobicContact CG2-CE2 4.41Å; V637-F673 HydrophobicContact CG2-CZ 4.2Å |
| 638 | E | 94.9 | Very high | 92.2 | Very high | 69 Ų | 69 | 35 Ų | 35 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.6 | -49 | 177.1 | -51.9 | -153 | 130.4 | 0 | 0 | 111.3 | I634 D635 L640 I641 N642 Y672 | I634-E638 HydrophobicContact CG2-CG 4.17Å; I634-E638 VanDerWaalsContact O-CG 3.24Å; I634-E638 WeakPolarHBondContact O-CG 3.49Å; I634-E638 PolarHBondContact O-N 3.34Å; D635-E638 PolarHBondContact O-N 3.43Å; E638-L640 VanDerWaalsContact C-N 3.34Å; E638-L640 PolarHBondContact O-N 2.95Å; E638-I641 PolarHBondContact O-N 3.43Å; E638-N642 WeakPolarHBondContact O-CB 3.05Å; E638-N642 PolarHBondContact O-N 2.92Å; E638-N642 PolarHBondContact O-ND2 3.23Å; E638-Y672 WeakPolarHBondContact CB-OH 3.39Å; E638-Y672 HydrophobicContact CG-CE1 4.03Å; E638-Y672 HydrophobicContact CG-CE2 4.06Å; E638-Y672 VanDerWaalsContact CG-OH 3.32Å; E638-Y672 WeakPolarHBondContact CG-OH 3.49Å; E638-Y672 WeakPolarHBondContact OE1-CE2 3.45Å; E638-Y672 VanDerWaalsContact OE1-CZ 3.29Å; E638-Y672 PolarHBondContact OE1-OH 3.45Å |
| 639 | L | 94.7 | Very high | 92.1 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 178.2 | 176.3 | 159 | 0 | 0 | 0 | 111.3 | L601 A604 I605 I608 D635 M636 N643 | L601-L639 HydrophobicContact CD2-CB 4.48Å; L601-L639 HydrophobicContact CD2-CD1 3.93Å; A604-L639 HydrophobicContact CB-CD2 4.31Å; I605-L639 HydrophobicContact CD1-CD1 4.23Å; I605-L639 HydrophobicContact CG1-CD1 3.46Å; I605-L639 VanDerWaalsContact CG1-CD1 3.46Å; I608-L639 HydrophobicContact CD1-CD2 3.3Å; D635-L639 WeakPolarHBondContact O-CB 3.41Å; D635-L639 PolarHBondContact O-N 3.27Å; M636-L639 HydrophobicContact CE-CD1 4.4Å; M636-L639 PolarHBondContact O-N 2.69Å; L639-N643 WeakPolarHBondContact O-CB 3.31Å; L639-N643 PolarHBondContact O-N 3.39Å; L639-N643 VanDerWaalsContact O-N 3.13Å; L639-N643 PolarHBondContact O-ND2 3.3Å |
| 640 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.9 | -70.9 | 170.3 | 0 | 0 | 0 | 111.6 | L592 A596 I608 V614 P624 L625 A628 M636 V637 E638 N643 G644 A645 | L592-L640 HydrophobicContact CD1-CD2 4.4Å; L592-L640 HydrophobicContact CD2-CD2 4.35Å; L592-L640 HydrophobicContact CG-CD2 4.49Å; A596-L640 HydrophobicContact CB-CD1 4.26Å; I608-L640 HydrophobicContact CD1-CD2 4.39Å; V614-L640 HydrophobicContact CG1-CB 4.45Å; V614-L640 HydrophobicContact CG1-CD2 3.89Å; P624-L640 HydrophobicContact CB-CD1 3.99Å; P624-L640 HydrophobicContact CB-CD2 4Å; L625-L640 HydrophobicContact CD1-CB 4.26Å; A628-L640 HydrophobicContact CB-CD1 3.9Å; M636-L640 HydrophobicContact CG-CD1 4.24Å; M636-L640 WeakPolarHBondContact O-CB 3.48Å; M636-L640 VanDerWaalsContact O-CG 3.23Å; M636-L640 WeakPolarHBondContact O-CG 3.31Å; M636-L640 PolarHBondContact O-N 3.21Å; V637-L640 PolarHBondContact O-N 2.78Å; E638-L640 VanDerWaalsContact C-N 3.34Å; E638-L640 PolarHBondContact O-N 2.95Å; L640-N643 CarbonylContact O-C 3.45Å; L640-N643 PolarHBondContact O-N 3.1Å; L640-G644 PolarHBondContact O-N 2.84Å; L640-A645 VanDerWaalsContact C-CB 3.45Å; L640-A645 HydrophobicContact CB-CB 3.93Å; L640-A645 WeakPolarHBondContact O-CB 3.44Å; L640-A645 PolarHBondContact O-N 3.33Å |
| 641 | I | 95.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -44 | 178.9 | -72.1 | 171.8 | 0 | 0 | 0 | 110.9 | L625 V637 E638 N643 G644 I647 Y672 F673 | L625-I641 HydrophobicContact CD1-CD1 4.2Å; L625-I641 HydrophobicContact CD1-CG1 3.92Å; L625-I641 HydrophobicContact CD2-CG1 4.22Å; V637-I641 HydrophobicContact CG1-CD1 3.66Å; V637-I641 HydrophobicContact CG1-CG1 4.45Å; V637-I641 WeakPolarHBondContact O-CB 3.17Å; V637-I641 WeakPolarHBondContact O-CG1 3.19Å; V637-I641 PolarHBondContact O-N 3.4Å; E638-I641 PolarHBondContact O-N 3.43Å; I641-N643 PolarHBondContact O-N 2.84Å; I641-G644 PolarHBondContact O-N 3.22Å; I641-I647 HydrophobicContact CD1-CG1 4.21Å; I641-I647 HydrophobicContact CG1-CG1 4.25Å; I641-I647 HydrophobicContact CG2-CD1 4.42Å; I641-Y672 HydrophobicContact CD1-CE1 3.99Å; I641-F673 HydrophobicContact CD1-CE1 4.13Å |
| 642 | N | 95.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 37.1 Ų | 37.1 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.1 | -26.3 | 177.3 | -69.4 | -19.5 | 0 | 0 | 0 | 112.4 | E638 | E638-N642 WeakPolarHBondContact O-CB 3.05Å; E638-N642 PolarHBondContact O-N 2.92Å; E638-N642 PolarHBondContact O-ND2 3.23Å |
| 643 | N | 94.8 | Very high | 92.5 | Very high | 82 Ų | 82 | 40 Ų | 40 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 19.3 | 174.2 | -72.1 | -80.5 | 0 | 0 | 0 | 113.6 | I608 V614 L639 L640 I641 | I608-N643 HydrophobicContact CD1-CB 4.17Å; I608-N643 HydrophobicContact CG2-CB 4.19Å; I608-N643 WeakPolarHBondContact CG2-OD1 3.36Å; V614-N643 HydrophobicContact CG2-CB 4.27Å; L639-N643 WeakPolarHBondContact O-CB 3.31Å; L639-N643 PolarHBondContact O-N 3.39Å; L639-N643 VanDerWaalsContact O-N 3.13Å; L639-N643 PolarHBondContact O-ND2 3.3Å; L640-N643 CarbonylContact O-C 3.45Å; L640-N643 PolarHBondContact O-N 3.1Å; I641-N643 PolarHBondContact O-N 2.84Å |
| 644 | G | 93.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 23.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N615 L640 I641 L646 | N615-G644 PolarHBondContact ND2-O 2.98Å; L640-G644 PolarHBondContact O-N 2.84Å; I641-G644 PolarHBondContact O-N 3.22Å; G644-L646 PolarHBondContact O-N 3.08Å |
| 645 | A | 94.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | trans | -63 | 133.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V614 L625 L640 I647 | V614-A645 HydrophobicContact CG1-CB 3.68Å; L625-A645 HydrophobicContact CB-CB 4.22Å; L625-A645 HydrophobicContact CD1-CB 4.49Å; L625-A645 HydrophobicContact CD2-CB 3.95Å; L625-A645 HydrophobicContact CG-CB 4.46Å; L640-A645 VanDerWaalsContact C-CB 3.45Å; L640-A645 HydrophobicContact CB-CB 3.93Å; L640-A645 WeakPolarHBondContact O-CB 3.44Å; L640-A645 PolarHBondContact O-N 3.33Å; A645-I647 PolarHBondContact O-N 2.94Å; A645-I647 VanDerWaalsContact O-N 3.16Å | ||
| 646 | L | 93 | Very high | 92.8 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | trans | -75.4 | 104.4 | 178.5 | -66.8 | 171.5 | 0 | 0 | 0 | 111 | N615 G644 E648 A649 | N615-L646 HydrophobicContact CB-CD1 4.48Å; N615-L646 WeakPolarHBondContact OD1-CB 3.3Å; N615-L646 WeakPolarHBondContact OD1-CG 3.44Å; N615-L646 PolarHBondContact OD1-N 3.4Å; G644-L646 PolarHBondContact O-N 3.08Å; L646-E648 PolarHBondContact O-N 2.77Å; L646-A649 HydrophobicContact CB-CB 4.16Å; L646-A649 VanDerWaalsContact O-CB 3.31Å; L646-A649 WeakPolarHBondContact O-CB 3.42Å; L646-A649 PolarHBondContact O-N 2.89Å; L646-A649 VanDerWaalsContact O-N 3.15Å | ||
| 647 | I | 92.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.1 | 177 | -57.7 | 169.4 | 0 | 0 | 0 | 111.6 | I641 A645 A649 P657 F673 K676 S678 | I641-I647 HydrophobicContact CD1-CG1 4.21Å; I641-I647 HydrophobicContact CG1-CG1 4.25Å; I641-I647 HydrophobicContact CG2-CD1 4.42Å; A645-I647 PolarHBondContact O-N 2.94Å; A645-I647 VanDerWaalsContact O-N 3.16Å; I647-A649 VanDerWaalsContact C-N 3.34Å; I647-A649 PolarHBondContact O-N 3.2Å; I647-P657 WeakPolarHBondContact O-CD 3.42Å; I647-F673 HydrophobicContact CG2-CD1 4.17Å; I647-K676 HydrophobicContact CD1-CB 3.9Å; I647-S678 WeakPolarHBondContact CG2-OG 3.46Å |
| 648 | E | 92.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 21.1 | -177.1 | -66.8 | -63.8 | 139.4 | 0 | 0 | 113.7 | L646 K650 S678 K679 | L646-E648 PolarHBondContact O-N 2.77Å; E648-K650 PolarHBondContact O-N 3.02Å; E648-S678 WeakPolarHBondContact OE1-CA 3.46Å; E648-K679 HydrophobicContact CG-CD 4.46Å; E648-K679 PolarHBondContact OE1-N 2.9Å |
| 649 | A | 92.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | trans | -62.6 | 129.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T623 H626 L646 I647 T656 P657 | T623-A649 HydrophobicContact CG2-CB 3.77Å; H626-A649 PolarHBondContact CE1-O 3.13Å; H626-A649 PolarHBondContact NE2-O 3.32Å; L646-A649 HydrophobicContact CB-CB 4.16Å; L646-A649 VanDerWaalsContact O-CB 3.31Å; L646-A649 WeakPolarHBondContact O-CB 3.42Å; L646-A649 PolarHBondContact O-N 2.89Å; L646-A649 VanDerWaalsContact O-N 3.15Å; I647-A649 VanDerWaalsContact C-N 3.34Å; I647-A649 PolarHBondContact O-N 3.2Å; A649-T656 WeakPolarHBondContact O-CA 3.39Å; A649-P657 WeakPolarHBondContact O-CD 3.47Å | ||
| 650 | K | 91.3 | Very high | 92.4 | Very high | 92 Ų | 92 | 34 Ų | 34 | 40% | 0.4 | 19% | 0.187 | S | C | . | . | trans | -101.5 | 124.7 | 178.5 | -64.5 | -171 | 179.7 | -167.2 | 0 | 111.9 | E648 A655 T656 | E648-K650 PolarHBondContact O-N 3.02Å; K650-A655 WeakPolarHBondContact CA-O 3.43Å; K650-T656 HydrophobicContact CG-CG2 4.09Å | ||
| 651 | A | 91.8 | Very high | 92 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | trans | -65.5 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N653 G654 A655 | A651-N653 VanDerWaalsContact C-N 3.28Å; A651-N653 WeakPolarHBondContact CB-OD1 3.43Å; A651-N653 PolarHBondContact O-N 2.85Å; A651-G654 WeakPolarHBondContact O-CA 3.29Å; A651-G654 PolarHBondContact O-N 3.27Å; A651-A655 WeakPolarHBondContact CB-O 3.18Å; A651-A655 PolarHBondContact N-O 3.49Å | ||
| 652 | L | 89.2 | Confident | 91.7 | Very high | 52 Ų | 52 | 32.9 Ų | 32.9 | 27% | 0.272 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -36.9 | -178.5 | -176.2 | 65.7 | 0 | 0 | 0 | 112.2 | F620 G654 R685 | F620-L652 VanDerWaalsContact O-CB 3.3Å; F620-L652 WeakPolarHBondContact O-CB 3.24Å; F620-L652 PolarHBondContact O-N 2.92Å; L652-G654 PolarHBondContact O-N 3.43Å; L652-R685 VanDerWaalsContact O-CD 3.31Å; L652-R685 WeakPolarHBondContact O-CD 3.37Å; L652-R685 PolarHBondContact O-NE 3.12Å; L652-R685 PolarHBondContact O-NH1 3.12Å; L652-R685 PolarHBondContact O-NH2 2.96Å; L652-R685 VanDerWaalsContact O-NH2 3.13Å |
| 653 | N | 87.2 | Confident | 91.3 | Very high | 64 Ų | 64 | 29 Ų | 29 | 34% | 0.342 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0.7 | 173.9 | 64.9 | -13.3 | 0 | 0 | 0 | 113.3 | A651 A655 R660 R685 | A651-N653 VanDerWaalsContact C-N 3.28Å; A651-N653 WeakPolarHBondContact CB-OD1 3.43Å; A651-N653 PolarHBondContact O-N 2.85Å; N653-A655 VanDerWaalsContact C-N 3.33Å; N653-A655 VanDerWaalsContact OD1-CB 3.26Å; N653-A655 WeakPolarHBondContact OD1-CB 3.4Å; N653-A655 PolarHBondContact OD1-N 3.34Å; N653-A655 VanDerWaalsContact OD1-N 3.14Å; N653-R660 PolarHBondContact ND2-NH2 3.13Å; N653-R660 VanDerWaalsContact ND2-NH2 3.12Å; N653-R685 VanDerWaalsContact O-CB 3.29Å; N653-R685 WeakPolarHBondContact O-CB 3.4Å; N653-R685 WeakPolarHBondContact O-CG 3.37Å; N653-R685 PolarHBondContact O-N 3.33Å |
| 654 | G | 89.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 85.7 | -2.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A651 L652 | A651-G654 WeakPolarHBondContact O-CA 3.29Å; A651-G654 PolarHBondContact O-N 3.27Å; L652-G654 PolarHBondContact O-N 3.43Å |
| 655 | A | 90.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | trans | -68.1 | 143.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H626 K650 A651 N653 F659 T684 | H626-A655 PolarHBondContact NE2-O 3.29Å; K650-A655 WeakPolarHBondContact CA-O 3.43Å; A651-A655 WeakPolarHBondContact CB-O 3.18Å; A651-A655 PolarHBondContact N-O 3.49Å; N653-A655 VanDerWaalsContact C-N 3.33Å; N653-A655 VanDerWaalsContact OD1-CB 3.26Å; N653-A655 WeakPolarHBondContact OD1-CB 3.4Å; N653-A655 PolarHBondContact OD1-N 3.34Å; N653-A655 VanDerWaalsContact OD1-N 3.14Å; A655-F659 HydrophobicContact CB-CB 3.94Å; A655-F659 HydrophobicContact CB-CD2 4.29Å; A655-F659 HydrophobicContact CB-CG 4.19Å; A655-T684 HydrophobicContact CB-CG2 4.43Å | ||
| 656 | T | 93.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -95.8 | 169.4 | 169.8 | 61 | 0 | 0 | 0 | 0 | 110.5 | A649 K650 L658 F659 V682 | A649-T656 WeakPolarHBondContact O-CA 3.39Å; K650-T656 HydrophobicContact CG-CG2 4.09Å; T656-L658 PolarHBondContact O-N 3.27Å; T656-F659 WeakPolarHBondContact O-CB 3.5Å; T656-F659 PolarHBondContact O-N 3.16Å; T656-F659 VanDerWaalsContact OG1-CD2 3.31Å; T656-F659 WeakPolarHBondContact OG1-CD2 3.38Å; T656-V682 HydrophobicContact CG2-CG1 3.98Å | ||
| 657 | P | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.4 | -34.9 | 173.4 | -26.7 | 35.1 | 0 | 0 | 0 | 113.6 | L625 A629 I647 A649 F659 R660 A661 F673 | L625-P657 HydrophobicContact CB-CG 4.38Å; L625-P657 HydrophobicContact CD2-CB 4.29Å; L625-P657 HydrophobicContact CD2-CG 3.88Å; L625-P657 HydrophobicContact CG-CB 4.02Å; L625-P657 HydrophobicContact CG-CG 3.92Å; A629-P657 HydrophobicContact CB-CB 4.13Å; A629-P657 WeakPolarHBondContact CB-O 3.48Å; I647-P657 WeakPolarHBondContact O-CD 3.42Å; A649-P657 WeakPolarHBondContact O-CD 3.47Å; P657-F659 VanDerWaalsContact C-N 3.28Å; P657-F659 PolarHBondContact O-N 3.42Å; P657-R660 WeakPolarHBondContact O-CA 3.19Å; P657-R660 WeakPolarHBondContact O-CB 3.36Å; P657-R660 PolarHBondContact O-N 2.63Å; P657-A661 PolarHBondContact O-N 3.45Å; P657-F673 HydrophobicContact CB-CE1 3.82Å; P657-F673 HydrophobicContact CB-CE2 4.49Å; P657-F673 HydrophobicContact CB-CZ 3.7Å |
| 658 | L | 93.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 174.5 | 176.3 | 64.6 | 0 | 0 | 0 | 112.4 | T656 R660 A661 I662 V670 F673 L674 L680 P690 | T656-L658 PolarHBondContact O-N 3.27Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 2.76Å; L658-A661 WeakPolarHBondContact O-CB 3.1Å; L658-A661 PolarHBondContact O-N 3Å; L658-I662 HydrophobicContact CD1-CD1 4.4Å; L658-I662 HydrophobicContact CG-CD1 4.19Å; L658-I662 WeakPolarHBondContact O-CG1 3.39Å; L658-I662 PolarHBondContact O-N 3.32Å; L658-I662 VanDerWaalsContact O-N 3.09Å; L658-V670 HydrophobicContact CD1-CG1 4.17Å; L658-F673 HydrophobicContact CD1-CB 3.83Å; L658-L674 HydrophobicContact CD1-CD2 4.29Å; L658-L674 HydrophobicContact CD1-CG 4.37Å; L658-L674 HydrophobicContact CD2-CD2 4.01Å; L658-L680 HydrophobicContact CD2-CD2 4.26Å; L658-P690 HydrophobicContact CD2-CB 4.44Å; L658-P690 HydrophobicContact CD2-CG 4.35Å |
| 659 | F | 91.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 175.9 | -76 | -87.4 | 0 | 0 | 0 | 111.6 | A655 T656 P657 A661 I662 E663 V682 T684 P690 V693 | A655-F659 HydrophobicContact CB-CB 3.94Å; A655-F659 HydrophobicContact CB-CD2 4.29Å; A655-F659 HydrophobicContact CB-CG 4.19Å; T656-F659 WeakPolarHBondContact O-CB 3.5Å; T656-F659 PolarHBondContact O-N 3.16Å; T656-F659 VanDerWaalsContact OG1-CD2 3.31Å; T656-F659 WeakPolarHBondContact OG1-CD2 3.38Å; P657-F659 VanDerWaalsContact C-N 3.28Å; P657-F659 PolarHBondContact O-N 3.42Å; F659-A661 VanDerWaalsContact C-N 3.34Å; F659-I662 PolarHBondContact O-N 2.66Å; F659-E663 VanDerWaalsContact O-CG 3.24Å; F659-E663 WeakPolarHBondContact O-CG 2.99Å; F659-E663 PolarHBondContact O-N 3.12Å; F659-V682 HydrophobicContact CE2-CB 4.47Å; F659-V682 HydrophobicContact CE2-CG1 4.28Å; F659-V682 WeakPolarHBondContact CZ-O 3.48Å; F659-T684 HydrophobicContact CD1-CG2 4.01Å; F659-T684 HydrophobicContact CE1-CG2 3.61Å; F659-T684 HydrophobicContact CE2-CG2 4.25Å; F659-T684 HydrophobicContact CG-CG2 4.46Å; F659-T684 HydrophobicContact CZ-CG2 3.72Å; F659-P690 HydrophobicContact CE1-CB 4.36Å; F659-P690 HydrophobicContact CE1-CG 4.07Å; F659-P690 HydrophobicContact CE2-CG 4.1Å; F659-P690 HydrophobicContact CZ-CB 4.48Å; F659-P690 HydrophobicContact CZ-CG 3.71Å; F659-V693 HydrophobicContact CD1-CB 3.9Å; F659-V693 HydrophobicContact CD1-CG1 4.1Å; F659-V693 HydrophobicContact CD1-CG2 3.59Å; F659-V693 HydrophobicContact CE1-CB 4.15Å; F659-V693 HydrophobicContact CE1-CG2 3.57Å |
| 660 | R | 89.3 | Confident | 88.8 | Confident | 25 Ų | 25 | 27 Ų | 27 | 9% | 0.094 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 176.7 | -58.7 | -53.7 | 178.5 | -169.3 | -8.6 | 111.9 | W622 A629 H630 N653 P657 L658 I662 E663 C664 | W622-R660 VanDerWaalsContact CZ2-NE 3.35Å; A629-R660 HydrophobicContact CB-CB 4.08Å; H630-R660 HydrophobicContact CB-CB 4.19Å; N653-R660 PolarHBondContact ND2-NH2 3.13Å; N653-R660 VanDerWaalsContact ND2-NH2 3.12Å; P657-R660 WeakPolarHBondContact O-CA 3.19Å; P657-R660 WeakPolarHBondContact O-CB 3.36Å; P657-R660 PolarHBondContact O-N 2.63Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 2.76Å; R660-I662 VanDerWaalsContact C-N 3.31Å; R660-I662 PolarHBondContact O-N 3.31Å; R660-E663 WeakPolarHBondContact CD-OE2 3.37Å; R660-E663 IonicContact CZ-OE1 3.26Å; R660-E663 IonicContact CZ-OE2 3.14Å; R660-E663 IonicContact NE-OE2 3.23Å; R660-E663 IonicContact NH1-OE1 3.26Å; R660-E663 PolarHBondContact NH1-OE1 3.44Å; R660-E663 IonicContact NH1-OE2 2.71Å; R660-E663 PolarHBondContact NH1-OE2 3.09Å; R660-E663 PolarHBondContact O-N 2.93Å; R660-C664 PolarHBondContact O-N 3.26Å; R660-C664 PolarHBondContact O-SG 3.27Å |
| 661 | A | 89.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P657 L658 F659 C664 S665 R666 L669 V670 F673 | P657-A661 PolarHBondContact O-N 3.45Å; L658-A661 WeakPolarHBondContact O-CB 3.1Å; L658-A661 PolarHBondContact O-N 3Å; F659-A661 VanDerWaalsContact C-N 3.34Å; A661-C664 PolarHBondContact O-N 2.96Å; A661-S665 PolarHBondContact O-N 3.18Å; A661-R666 PolarHBondContact O-N 3.49Å; A661-L669 HydrophobicContact CB-CD2 3.29Å; A661-L669 HydrophobicContact CB-CG 4.05Å; A661-V670 HydrophobicContact CB-CG2 3.83Å; A661-F673 HydrophobicContact CB-CD2 3.81Å; A661-F673 HydrophobicContact CB-CE2 4.03Å |
| 662 | I | 88.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -43.5 | 177.5 | -65.5 | 167.4 | 0 | 0 | 0 | 111.2 | L658 F659 R660 C664 S665 V670 P690 V693 A694 V702 V706 | L658-I662 HydrophobicContact CD1-CD1 4.4Å; L658-I662 HydrophobicContact CG-CD1 4.19Å; L658-I662 WeakPolarHBondContact O-CG1 3.39Å; L658-I662 PolarHBondContact O-N 3.32Å; L658-I662 VanDerWaalsContact O-N 3.09Å; F659-I662 PolarHBondContact O-N 2.66Å; R660-I662 VanDerWaalsContact C-N 3.31Å; R660-I662 PolarHBondContact O-N 3.31Å; I662-C664 PolarHBondContact O-N 3.15Å; I662-S665 PolarHBondContact O-N 2.97Å; I662-V670 HydrophobicContact CG1-CG1 4.42Å; I662-V670 HydrophobicContact CG1-CG2 3.9Å; I662-P690 HydrophobicContact CD1-CB 3.71Å; I662-V693 HydrophobicContact CG2-CG1 4.21Å; I662-A694 VanDerWaalsContact CG2-CA 3.47Å; I662-A694 HydrophobicContact CG2-CB 3.71Å; I662-V702 HydrophobicContact CG1-CG1 4.25Å; I662-V702 HydrophobicContact CG2-CG1 4.13Å; I662-V706 HydrophobicContact CD1-CG2 4.19Å; I662-V706 HydrophobicContact CG1-CG2 4.4Å |
| 663 | E | 86.4 | Confident | 89.1 | Confident | 30 Ų | 30 | 23.9 Ų | 23.9 | 14% | 0.14 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.6 | -27.4 | 177.5 | -70.8 | 171.5 | -176.5 | 0 | 0 | 112.8 | F659 R660 S665 V693 W697 | F659-E663 VanDerWaalsContact O-CG 3.24Å; F659-E663 WeakPolarHBondContact O-CG 2.99Å; F659-E663 PolarHBondContact O-N 3.12Å; R660-E663 WeakPolarHBondContact CD-OE2 3.37Å; R660-E663 IonicContact CZ-OE1 3.26Å; R660-E663 IonicContact CZ-OE2 3.14Å; R660-E663 IonicContact NE-OE2 3.23Å; R660-E663 IonicContact NH1-OE1 3.26Å; R660-E663 PolarHBondContact NH1-OE1 3.44Å; R660-E663 IonicContact NH1-OE2 2.71Å; R660-E663 PolarHBondContact NH1-OE2 3.09Å; R660-E663 PolarHBondContact O-N 2.93Å; E663-S665 VanDerWaalsContact C-N 3.34Å; E663-V693 HydrophobicContact CG-CG1 4.32Å; E663-W697 HydrophobicContact CB-CD2 4.38Å; E663-W697 HydrophobicContact CB-CZ2 3.86Å; E663-W697 HydrophobicContact CG-CZ2 4.05Å; E663-W697 VanDerWaalsContact O-CZ3 3.23Å; E663-W697 WeakPolarHBondContact O-CZ3 3.47Å |
| 664 | C | 82.7 | Confident | 89.2 | Confident | 30 Ų | 30 | 21.9 Ų | 21.9 | 20% | 0.203 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.4 | 179.8 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | H630 R660 A661 I662 R666 | H630-C664 VanDerWaalsContact C-SG 3.59Å; H630-C664 VanDerWaalsContact CA-SG 3.58Å; H630-C664 PolarHBondContact ND1-SG 3.33Å; H630-C664 PolarHBondContact O-SG 3.02Å; R660-C664 PolarHBondContact O-N 3.26Å; R660-C664 PolarHBondContact O-SG 3.27Å; A661-C664 PolarHBondContact O-N 2.96Å; I662-C664 PolarHBondContact O-N 3.15Å; C664-R666 HydrophobicContact CB-CG 4.13Å; C664-R666 WeakPolarHBondContact O-CD 3.46Å; C664-R666 WeakPolarHBondContact O-CG 3.5Å; C664-R666 PolarHBondContact O-N 3.12Å; C664-R666 VanDerWaalsContact O-N 3.12Å |
| 665 | S | 82.2 | Confident | 89.3 | Confident | 33 Ų | 33 | 25.5 Ų | 25.5 | 23% | 0.231 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | A661 I662 E663 L667 D699 | A661-S665 PolarHBondContact O-N 3.18Å; I662-S665 PolarHBondContact O-N 2.97Å; E663-S665 VanDerWaalsContact C-N 3.34Å; S665-L667 PolarHBondContact O-N 3.36Å; S665-D699 WeakPolarHBondContact CB-OD2 3.3Å |
| 666 | R | 81.4 | Confident | 89.3 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 25% | 0.253 | 16% | 0.155 | S | C | . | . | trans | -96.8 | 91.8 | -178.8 | -60.3 | -45.6 | -169.5 | 118.5 | -2.2 | 111.2 | A661 C664 N668 L669 V670 Y817 | A661-R666 PolarHBondContact O-N 3.49Å; C664-R666 HydrophobicContact CB-CG 4.13Å; C664-R666 WeakPolarHBondContact O-CD 3.46Å; C664-R666 WeakPolarHBondContact O-CG 3.5Å; C664-R666 PolarHBondContact O-N 3.12Å; C664-R666 VanDerWaalsContact O-N 3.12Å; R666-N668 PolarHBondContact O-N 2.69Å; R666-L669 HydrophobicContact CB-CB 3.9Å; R666-L669 HydrophobicContact CB-CD2 4.42Å; R666-L669 WeakPolarHBondContact O-CB 3.46Å; R666-L669 PolarHBondContact O-N 3.19Å; R666-V670 WeakPolarHBondContact O-CG2 3.41Å; R666-V670 PolarHBondContact O-N 3.47Å; R666-Y817 PolarHBondContact NH1-O 2.64Å; R666-Y817 PolarHBondContact NH2-O 3.06Å | ||
| 667 | L | 85.5 | Confident | 88.9 | Confident | 46 Ų | 46 | 32.2 Ų | 32.2 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.9 | -56.3 | -177.5 | -176.3 | 67 | 0 | 0 | 0 | 112.9 | S665 L669 V670 D671 R701 V702 H705 | S665-L667 PolarHBondContact O-N 3.36Å; L667-L669 PolarHBondContact O-N 3.05Å; L667-L669 VanDerWaalsContact O-N 3.09Å; L667-V670 WeakPolarHBondContact O-CA 3.29Å; L667-V670 WeakPolarHBondContact O-CB 3.44Å; L667-V670 PolarHBondContact O-N 3.11Å; L667-D671 WeakPolarHBondContact CD1-OD1 3.12Å; L667-D671 PolarHBondContact O-N 3.1Å; L667-D671 VanDerWaalsContact O-OD1 3.05Å; L667-R701 HydrophobicContact CD2-CB 4.36Å; L667-V702 HydrophobicContact CB-CG2 4.48Å; L667-V702 HydrophobicContact CD1-CG2 4.47Å; L667-H705 HydrophobicContact CD1-CB 3.63Å |
| 668 | N | 87.5 | Confident | 88.6 | Confident | 111 Ų | 111 | 32.7 Ų | 32.7 | 59% | 0.594 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -55.8 | -34.9 | -177.9 | -62.1 | -2.9 | 0 | 0 | 0 | 113.4 | I634 R666 Y672 | I634-N668 HydrophobicContact CD1-CB 3.59Å; R666-N668 PolarHBondContact O-N 2.69Å; N668-Y672 WeakPolarHBondContact O-CB 3.26Å; N668-Y672 PolarHBondContact O-N 3.46Å |
| 669 | L | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.1 | -40.9 | 177.5 | -174.4 | 95.6 | 0 | 0 | 0 | 111.1 | A629 I634 V637 A661 R666 L667 Y672 F673 | A629-L669 HydrophobicContact CB-CD2 4.35Å; A629-L669 WeakPolarHBondContact O-CD2 3.13Å; I634-L669 HydrophobicContact CB-CD1 4.33Å; I634-L669 HydrophobicContact CD1-CB 4.44Å; I634-L669 HydrophobicContact CG1-CB 3.94Å; I634-L669 HydrophobicContact CG1-CD1 3.63Å; I634-L669 HydrophobicContact CG1-CG 4.41Å; V637-L669 HydrophobicContact CB-CD1 4.21Å; V637-L669 HydrophobicContact CG2-CD1 3.76Å; A661-L669 HydrophobicContact CB-CD2 3.29Å; A661-L669 HydrophobicContact CB-CG 4.05Å; R666-L669 HydrophobicContact CB-CB 3.9Å; R666-L669 HydrophobicContact CB-CD2 4.42Å; R666-L669 WeakPolarHBondContact O-CB 3.46Å; R666-L669 PolarHBondContact O-N 3.19Å; L667-L669 PolarHBondContact O-N 3.05Å; L667-L669 VanDerWaalsContact O-N 3.09Å; L669-Y672 PolarHBondContact O-N 3.18Å; L669-F673 HydrophobicContact CD1-CE2 4.33Å; L669-F673 HydrophobicContact CD2-CD2 4.48Å; L669-F673 HydrophobicContact CD2-CE2 4.1Å; L669-F673 HydrophobicContact CG-CD2 4.1Å; L669-F673 HydrophobicContact CG-CE2 3.92Å; L669-F673 VanDerWaalsContact O-CD2 3.23Å; L669-F673 WeakPolarHBondContact O-CD2 3.38Å; L669-F673 PolarHBondContact O-N 3.35Å |
| 670 | V | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -49.4 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 110 | L658 A661 I662 R666 L667 Y672 F673 L674 V702 V706 | L658-V670 HydrophobicContact CD1-CG1 4.17Å; A661-V670 HydrophobicContact CB-CG2 3.83Å; I662-V670 HydrophobicContact CG1-CG1 4.42Å; I662-V670 HydrophobicContact CG1-CG2 3.9Å; R666-V670 WeakPolarHBondContact O-CG2 3.41Å; R666-V670 PolarHBondContact O-N 3.47Å; L667-V670 WeakPolarHBondContact O-CA 3.29Å; L667-V670 WeakPolarHBondContact O-CB 3.44Å; L667-V670 PolarHBondContact O-N 3.11Å; V670-Y672 VanDerWaalsContact C-N 3.28Å; V670-Y672 PolarHBondContact O-N 3.17Å; V670-F673 PolarHBondContact O-N 3.12Å; V670-L674 HydrophobicContact CG1-CD1 3.92Å; V670-L674 HydrophobicContact CG1-CG 4.47Å; V670-L674 VanDerWaalsContact O-CG 3.31Å; V670-L674 WeakPolarHBondContact O-CG 3.28Å; V670-L674 PolarHBondContact O-N 3.42Å; V670-V702 HydrophobicContact CG2-CG1 4.23Å; V670-V706 HydrophobicContact CG1-CG2 3.84Å |
| 671 | D | 91.9 | Very high | 87.6 | Confident | 50 Ų | 50 | 43 Ų | 43 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 176.5 | -68.7 | 20.7 | 0 | 0 | 0 | 110.9 | L667 L674 S675 H705 | L667-D671 WeakPolarHBondContact CD1-OD1 3.12Å; L667-D671 PolarHBondContact O-N 3.1Å; L667-D671 VanDerWaalsContact O-OD1 3.05Å; D671-L674 PolarHBondContact O-N 3.49Å; D671-S675 WeakPolarHBondContact O-CB 3.3Å; D671-S675 PolarHBondContact O-N 3.27Å; D671-H705 VanDerWaalsContact CG-NE2 3.32Å; D671-H705 IonicContact OD1-CD2 3.89Å; D671-H705 PolarHBondContact OD1-CD2 2.86Å; D671-H705 IonicContact OD1-CE1 3.82Å; D671-H705 PolarHBondContact OD1-CE1 3.1Å; D671-H705 IonicContact OD1-CG 2.88Å; D671-H705 VanDerWaalsContact OD1-CG 3.3Å; D671-H705 IonicContact OD1-ND1 3.73Å; D671-H705 PolarHBondContact OD1-ND1 3.38Å; D671-H705 IonicContact OD1-NE2 3.72Å; D671-H705 PolarHBondContact OD1-NE2 2.99Å; D671-H705 IonicContact OD2-CE1 2.72Å; D671-H705 PolarHBondContact OD2-CE1 2.93Å; D671-H705 VanDerWaalsContact OD2-CE1 3.22Å; D671-H705 IonicContact OD2-ND1 2.75Å; D671-H705 IonicContact OD2-NE2 2.81Å |
| 672 | Y | 93.1 | Very high | 87.5 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 12% | 0.122 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.7 | -171.3 | -100.6 | 0 | 0 | 0 | 112.2 | V637 E638 I641 N668 L669 V670 L674 S675 K676 | V637-Y672 HydrophobicContact CG1-CD1 4.04Å; V637-Y672 HydrophobicContact CG1-CE1 4.1Å; E638-Y672 WeakPolarHBondContact CB-OH 3.39Å; E638-Y672 HydrophobicContact CG-CE1 4.03Å; E638-Y672 HydrophobicContact CG-CE2 4.06Å; E638-Y672 VanDerWaalsContact CG-OH 3.32Å; E638-Y672 WeakPolarHBondContact CG-OH 3.49Å; E638-Y672 WeakPolarHBondContact OE1-CE2 3.45Å; E638-Y672 VanDerWaalsContact OE1-CZ 3.29Å; E638-Y672 PolarHBondContact OE1-OH 3.45Å; I641-Y672 HydrophobicContact CD1-CE1 3.99Å; N668-Y672 WeakPolarHBondContact O-CB 3.26Å; N668-Y672 PolarHBondContact O-N 3.46Å; L669-Y672 PolarHBondContact O-N 3.18Å; V670-Y672 VanDerWaalsContact C-N 3.28Å; V670-Y672 PolarHBondContact O-N 3.17Å; Y672-L674 VanDerWaalsContact C-N 3.29Å; Y672-L674 PolarHBondContact O-N 2.87Å; Y672-S675 PolarHBondContact O-N 3.32Å; Y672-S675 PolarHBondContact O-OG 3.03Å; Y672-K676 HydrophobicContact CD1-CG 4.23Å; Y672-K676 HydrophobicContact CE1-CG 3.9Å; Y672-K676 WeakPolarHBondContact O-CG 3.3Å; Y672-K676 PolarHBondContact O-N 3.48Å; Y672-K676 WeakPolarHBondContact OH-CE 3.37Å |
| 673 | F | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 176.6 | -88 | -64 | 0 | 0 | 0 | 112.2 | L625 A629 V637 I641 I647 P657 L658 A661 L669 V670 K676 G677 S678 | L625-F673 HydrophobicContact CD1-CE1 4.23Å; L625-F673 HydrophobicContact CD1-CZ 4.08Å; L625-F673 HydrophobicContact CD2-CE1 4.22Å; L625-F673 HydrophobicContact CG-CE1 4.27Å; L625-F673 HydrophobicContact CG-CZ 4.25Å; A629-F673 HydrophobicContact CB-CE2 3.77Å; A629-F673 HydrophobicContact CB-CZ 3.9Å; V637-F673 HydrophobicContact CG1-CE1 4.14Å; V637-F673 HydrophobicContact CG1-CE2 4.1Å; V637-F673 HydrophobicContact CG1-CZ 3.68Å; V637-F673 HydrophobicContact CG2-CE2 4.41Å; V637-F673 HydrophobicContact CG2-CZ 4.2Å; I641-F673 HydrophobicContact CD1-CE1 4.13Å; I647-F673 HydrophobicContact CG2-CD1 4.17Å; P657-F673 HydrophobicContact CB-CE1 3.82Å; P657-F673 HydrophobicContact CB-CE2 4.49Å; P657-F673 HydrophobicContact CB-CZ 3.7Å; L658-F673 HydrophobicContact CD1-CB 3.83Å; A661-F673 HydrophobicContact CB-CD2 3.81Å; A661-F673 HydrophobicContact CB-CE2 4.03Å; L669-F673 HydrophobicContact CD1-CE2 4.33Å; L669-F673 HydrophobicContact CD2-CD2 4.48Å; L669-F673 HydrophobicContact CD2-CE2 4.1Å; L669-F673 HydrophobicContact CG-CD2 4.1Å; L669-F673 HydrophobicContact CG-CE2 3.92Å; L669-F673 VanDerWaalsContact O-CD2 3.23Å; L669-F673 WeakPolarHBondContact O-CD2 3.38Å; L669-F673 PolarHBondContact O-N 3.35Å; V670-F673 PolarHBondContact O-N 3.12Å; F673-K676 PolarHBondContact O-N 3.2Å; F673-G677 PolarHBondContact O-N 2.97Å; F673-S678 VanDerWaalsContact C-OG 3.28Å; F673-S678 WeakPolarHBondContact CB-OG 3.48Å; F673-S678 WeakPolarHBondContact O-CB 3.48Å; F673-S678 PolarHBondContact O-N 3.14Å; F673-S678 PolarHBondContact O-OG 3.23Å |
| 674 | L | 90.2 | Very high | 87.6 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 177.6 | -64.7 | 173.9 | 0 | 0 | 0 | 111.6 | L658 V670 D671 Y672 K676 G677 L680 K709 | L658-L674 HydrophobicContact CD1-CD2 4.29Å; L658-L674 HydrophobicContact CD1-CG 4.37Å; L658-L674 HydrophobicContact CD2-CD2 4.01Å; V670-L674 HydrophobicContact CG1-CD1 3.92Å; V670-L674 HydrophobicContact CG1-CG 4.47Å; V670-L674 VanDerWaalsContact O-CG 3.31Å; V670-L674 WeakPolarHBondContact O-CG 3.28Å; V670-L674 PolarHBondContact O-N 3.42Å; D671-L674 PolarHBondContact O-N 3.49Å; Y672-L674 VanDerWaalsContact C-N 3.29Å; Y672-L674 PolarHBondContact O-N 2.87Å; L674-K676 VanDerWaalsContact C-N 3.28Å; L674-K676 PolarHBondContact O-N 3.5Å; L674-G677 PolarHBondContact O-N 3.19Å; L674-L680 HydrophobicContact CD2-CD1 4.2Å; L674-L680 HydrophobicContact CD2-CD2 3.58Å; L674-L680 HydrophobicContact CD2-CG 3.83Å; L674-K709 HydrophobicContact CD1-CB 4.04Å; L674-K709 HydrophobicContact CD1-CG 3.87Å |
| 675 | S | 91 | Very high | 87.8 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.1 | -34.3 | 174.4 | 83 | 0 | 0 | 0 | 0 | 112.7 | D671 Y672 G677 | D671-S675 WeakPolarHBondContact O-CB 3.3Å; D671-S675 PolarHBondContact O-N 3.27Å; Y672-S675 PolarHBondContact O-N 3.32Å; Y672-S675 PolarHBondContact O-OG 3.03Å; S675-G677 PolarHBondContact O-N 3.33Å |
| 676 | K | 91 | Very high | 88 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 5.9 | 175.7 | -62.8 | -62.8 | -177 | 179.8 | 0 | 113.6 | I647 Y672 F673 L674 | I647-K676 HydrophobicContact CD1-CB 3.9Å; Y672-K676 HydrophobicContact CD1-CG 4.23Å; Y672-K676 HydrophobicContact CE1-CG 3.9Å; Y672-K676 WeakPolarHBondContact O-CG 3.3Å; Y672-K676 PolarHBondContact O-N 3.48Å; Y672-K676 WeakPolarHBondContact OH-CE 3.37Å; F673-K676 PolarHBondContact O-N 3.2Å; L674-K676 VanDerWaalsContact C-N 3.28Å; L674-K676 PolarHBondContact O-N 3.5Å |
| 677 | G | 85.5 | Confident | 88.2 | Confident | 54 Ų | 54 | 61.2 Ų | 61.2 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 27.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F673 L674 S675 K679 | F673-G677 PolarHBondContact O-N 2.97Å; L674-G677 PolarHBondContact O-N 3.19Å; S675-G677 PolarHBondContact O-N 3.33Å; G677-K679 PolarHBondContact O-N 2.95Å |
| 678 | S | 87.5 | Confident | 88.3 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | trans | -58.7 | 135.1 | 172.4 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | I647 E648 F673 L680 | I647-S678 WeakPolarHBondContact CG2-OG 3.46Å; E648-S678 WeakPolarHBondContact OE1-CA 3.46Å; F673-S678 VanDerWaalsContact C-OG 3.28Å; F673-S678 WeakPolarHBondContact CB-OG 3.48Å; F673-S678 WeakPolarHBondContact O-CB 3.48Å; F673-S678 PolarHBondContact O-N 3.14Å; F673-S678 PolarHBondContact O-OG 3.23Å; S678-L680 PolarHBondContact O-N 2.99Å | ||
| 679 | K | 86.4 | Confident | 88.4 | Confident | 132 Ų | 132 | 57.6 Ų | 57.6 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | trans | -80.1 | 120.7 | -175.5 | -67.3 | 177.9 | -178 | 175.2 | 0 | 111.1 | E648 G677 V682 | E648-K679 HydrophobicContact CG-CD 4.46Å; E648-K679 PolarHBondContact OE1-N 2.9Å; G677-K679 PolarHBondContact O-N 2.95Å; K679-V682 HydrophobicContact CB-CG2 3.68Å | ||
| 680 | L | 83.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -34.2 | 175 | -73.1 | 168.3 | 0 | 0 | 0 | 112.7 | L658 L674 S678 V682 P690 V706 K709 W710 A713 | L658-L680 HydrophobicContact CD2-CD2 4.26Å; L674-L680 HydrophobicContact CD2-CD1 4.2Å; L674-L680 HydrophobicContact CD2-CD2 3.58Å; L674-L680 HydrophobicContact CD2-CG 3.83Å; S678-L680 PolarHBondContact O-N 2.99Å; L680-V682 PolarHBondContact O-N 2.97Å; L680-P690 HydrophobicContact CD2-CB 4.33Å; L680-P690 WeakPolarHBondContact O-CD 3.26Å; L680-P690 VanDerWaalsContact O-CG 3.31Å; L680-P690 WeakPolarHBondContact O-CG 3.37Å; L680-V706 HydrophobicContact CD2-CG1 4.27Å; L680-K709 HydrophobicContact CD1-CB 3.96Å; L680-K709 WeakPolarHBondContact CD1-O 3.31Å; L680-W710 HydrophobicContact CB-CE3 3.89Å; L680-W710 HydrophobicContact CB-CZ3 4.22Å; L680-W710 HydrophobicContact CD1-CB 4.44Å; L680-W710 VanDerWaalsContact O-CZ3 3.26Å; L680-W710 WeakPolarHBondContact O-CZ3 3.19Å; L680-A713 HydrophobicContact CD1-CB 4.21Å |
| 681 | F | 83.6 | Confident | 88.2 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 44% | 0.443 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 29.1 | -177.9 | -55 | -67.1 | 0 | 0 | 0 | 114.6 | W710 A713 Q714 | F681-W710 AromaticContact CD1-CH2 3.7Å; F681-W710 HydrophobicContact CD1-CH2 3.7Å; F681-W710 AromaticContact CD1-CZ2 3.85Å; F681-W710 HydrophobicContact CD1-CZ2 3.85Å; F681-W710 HydrophobicContact CD1-CZ3 4.2Å; F681-W710 HydrophobicContact CE1-CD2 4.46Å; F681-W710 AromaticContact CE1-CE2 3.99Å; F681-W710 HydrophobicContact CE1-CH2 4.08Å; F681-W710 AromaticContact CE1-CZ2 3.79Å; F681-W710 HydrophobicContact CE1-CZ2 3.79Å; F681-A713 HydrophobicContact CE2-CB 4.13Å; F681-A713 HydrophobicContact CZ-CB 4.19Å; F681-Q714 VanDerWaalsContact CE1-OE1 3.31Å; F681-Q714 HydrophobicContact CZ-CB 4.41Å |
| 682 | V | 86.2 | Confident | 88 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | trans | -96.9 | 129.8 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | T656 F659 K679 L680 P690 | T656-V682 HydrophobicContact CG2-CG1 3.98Å; F659-V682 HydrophobicContact CE2-CB 4.47Å; F659-V682 HydrophobicContact CE2-CG1 4.28Å; F659-V682 WeakPolarHBondContact CZ-O 3.48Å; K679-V682 HydrophobicContact CB-CG2 3.68Å; L680-V682 PolarHBondContact O-N 2.97Å; V682-P690 WeakPolarHBondContact O-CD 3.3Å | ||
| 683 | E | 87.3 | Confident | 87.7 | Confident | 125 Ų | 125 | 59.5 Ų | 59.5 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | trans | -105.1 | 142.5 | 176 | -65.3 | 173.9 | -176.8 | 0 | 0 | 111.6 | E688 | E683-E688 WeakPolarHBondContact CA-O 3.4Š| ||
| 684 | T | 89.6 | Confident | 87.4 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | trans | -70.1 | 171.7 | 168.5 | 73 | 0 | 0 | 0 | 0 | 110.7 | A655 F659 K686 G687 E688 | A655-T684 HydrophobicContact CB-CG2 4.43Å; F659-T684 HydrophobicContact CD1-CG2 4.01Å; F659-T684 HydrophobicContact CE1-CG2 3.61Å; F659-T684 HydrophobicContact CE2-CG2 4.25Å; F659-T684 HydrophobicContact CG-CG2 4.46Å; F659-T684 HydrophobicContact CZ-CG2 3.72Å; T684-K686 PolarHBondContact O-N 3.03Å; T684-K686 VanDerWaalsContact O-N 3.15Å; T684-K686 PolarHBondContact OG1-N 3.28Å; T684-G687 PolarHBondContact O-N 3.27Å; T684-E688 HydrophobicContact CG2-CB 4.41Å; T684-E688 PolarHBondContact N-O 3Å; T684-E688 PolarHBondContact OG1-N 2.92Å | ||
| 685 | R | 86.4 | Confident | 87.3 | Confident | 178 Ų | 178 | 62 Ų | 62 | 67% | 0.672 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20 | 174 | -77 | -173.1 | 180 | -177.9 | 9.8 | 113.8 | L652 N653 G687 | L652-R685 VanDerWaalsContact O-CD 3.31Å; L652-R685 WeakPolarHBondContact O-CD 3.37Å; L652-R685 PolarHBondContact O-NE 3.12Å; L652-R685 PolarHBondContact O-NH1 3.12Å; L652-R685 PolarHBondContact O-NH2 2.96Å; L652-R685 VanDerWaalsContact O-NH2 3.13Å; N653-R685 VanDerWaalsContact O-CB 3.29Å; N653-R685 WeakPolarHBondContact O-CB 3.4Å; N653-R685 WeakPolarHBondContact O-CG 3.37Å; N653-R685 PolarHBondContact O-N 3.33Å; R685-G687 VanDerWaalsContact C-N 3.28Å |
| 686 | K | 86.7 | Confident | 87 | Confident | 172 Ų | 172 | 62.7 Ų | 62.7 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.2 | 173.3 | -66.6 | -179 | 178.9 | 178.4 | 0 | 112.3 | T684 E688 | T684-K686 PolarHBondContact O-N 3.03Å; T684-K686 VanDerWaalsContact O-N 3.15Å; T684-K686 PolarHBondContact OG1-N 3.28Å; K686-E688 HydrophobicContact CB-CG 4.06Å; K686-E688 VanDerWaalsContact CD-OE1 3.26Å; K686-E688 WeakPolarHBondContact CD-OE1 3.23Å |
| 687 | G | 85.9 | Confident | 86.6 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | trans | 84 | 16 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T684 R685 | T684-G687 PolarHBondContact O-N 3.27Å; R685-G687 VanDerWaalsContact C-N 3.28Å | ||
| 688 | E | 87.4 | Confident | 86.4 | Confident | 48 Ų | 48 | 67 Ų | 67 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | trans | -84.3 | 130.6 | 178.5 | -60.3 | 158.9 | 176.2 | 0 | 0 | 109 | E683 T684 K686 V692 V693 | E683-E688 WeakPolarHBondContact CA-O 3.4Å; T684-E688 HydrophobicContact CG2-CB 4.41Å; T684-E688 PolarHBondContact N-O 3Å; T684-E688 PolarHBondContact OG1-N 2.92Å; K686-E688 HydrophobicContact CB-CG 4.06Å; K686-E688 VanDerWaalsContact CD-OE1 3.26Å; K686-E688 WeakPolarHBondContact CD-OE1 3.23Å; E688-V692 HydrophobicContact CB-CG1 4.31Å; E688-V692 HydrophobicContact CG-CG1 4.26Å; E688-V693 HydrophobicContact CB-CG2 3.8Å | ||
| 689 | N | 88.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -90.5 | 166.2 | 170.5 | 61 | 16.6 | 0 | 0 | 0 | 109.9 | Y691 V692 V693 W710 | N689-Y691 PolarHBondContact O-N 2.86Å; N689-V692 PolarHBondContact O-N 2.96Å; N689-V692 WeakPolarHBondContact OD1-CB 3.45Å; N689-V692 WeakPolarHBondContact OD1-CG2 3.44Å; N689-V692 PolarHBondContact OD1-N 3.18Å; N689-V693 PolarHBondContact O-N 3.43Å; N689-W710 HydrophobicContact CB-CH2 4Å; N689-W710 HydrophobicContact CB-CZ3 4.02Å | ||
| 690 | P | 87.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.6 | -35.9 | -178 | -27.2 | 37.3 | 0 | 0 | 0 | 113.1 | L658 F659 I662 L680 V682 V693 A694 V706 | L658-P690 HydrophobicContact CD2-CB 4.44Å; L658-P690 HydrophobicContact CD2-CG 4.35Å; F659-P690 HydrophobicContact CE1-CB 4.36Å; F659-P690 HydrophobicContact CE1-CG 4.07Å; F659-P690 HydrophobicContact CE2-CG 4.1Å; F659-P690 HydrophobicContact CZ-CB 4.48Å; F659-P690 HydrophobicContact CZ-CG 3.71Å; I662-P690 HydrophobicContact CD1-CB 3.71Å; L680-P690 HydrophobicContact CD2-CB 4.33Å; L680-P690 WeakPolarHBondContact O-CD 3.26Å; L680-P690 VanDerWaalsContact O-CG 3.31Å; L680-P690 WeakPolarHBondContact O-CG 3.37Å; V682-P690 WeakPolarHBondContact O-CD 3.3Å; P690-V693 PolarHBondContact O-N 3.07Å; P690-A694 PolarHBondContact O-N 2.87Å; P690-V706 HydrophobicContact CB-CG1 4.44Å |
| 691 | Y | 88.1 | Confident | 86.3 | Confident | 63 Ų | 63 | 72 Ų | 72 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 176.6 | 179.8 | -111.8 | 0 | 0 | 0 | 112.9 | N689 V693 A694 L695 I703 H707 | N689-Y691 PolarHBondContact O-N 2.86Å; Y691-V693 VanDerWaalsContact C-N 3.27Å; Y691-V693 PolarHBondContact O-N 3.03Å; Y691-A694 WeakPolarHBondContact O-CB 3.42Å; Y691-A694 PolarHBondContact O-N 3.4Å; Y691-A694 VanDerWaalsContact O-N 3.15Å; Y691-L695 HydrophobicContact CD1-CD1 4.13Å; Y691-L695 HydrophobicContact CE1-CD1 3.7Å; Y691-L695 HydrophobicContact CE1-CG 4.39Å; Y691-L695 PolarHBondContact O-N 2.96Å; Y691-I703 HydrophobicContact CE2-CG2 4.07Å; Y691-H707 HydrophobicContact CD2-CB 4.14Å; Y691-H707 HydrophobicContact CE2-CB 3.7Å; Y691-H707 AromaticContact CE2-CG 3.88Å; Y691-H707 AromaticContact CE2-ND1 3.63Å; Y691-H707 AromaticContact CZ-ND1 3.78Å |
| 692 | V | 88.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 174.8 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | E688 N689 L695 N696 | E688-V692 HydrophobicContact CB-CG1 4.31Å; E688-V692 HydrophobicContact CG-CG1 4.26Å; N689-V692 PolarHBondContact O-N 2.96Å; N689-V692 WeakPolarHBondContact OD1-CB 3.45Å; N689-V692 WeakPolarHBondContact OD1-CG2 3.44Å; N689-V692 PolarHBondContact OD1-N 3.18Å; V692-L695 PolarHBondContact O-N 3.04Å; V692-N696 VanDerWaalsContact O-CG 3.24Å; V692-N696 PolarHBondContact O-N 3.31Å; V692-N696 PolarHBondContact O-ND2 3.43Å |
| 693 | V | 87.5 | Confident | 86.6 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | F659 I662 E663 E688 N689 P690 Y691 L695 N696 W697 | F659-V693 HydrophobicContact CD1-CB 3.9Å; F659-V693 HydrophobicContact CD1-CG1 4.1Å; F659-V693 HydrophobicContact CD1-CG2 3.59Å; F659-V693 HydrophobicContact CE1-CB 4.15Å; F659-V693 HydrophobicContact CE1-CG2 3.57Å; I662-V693 HydrophobicContact CG2-CG1 4.21Å; E663-V693 HydrophobicContact CG-CG1 4.32Å; E688-V693 HydrophobicContact CB-CG2 3.8Å; N689-V693 PolarHBondContact O-N 3.43Å; P690-V693 PolarHBondContact O-N 3.07Å; Y691-V693 VanDerWaalsContact C-N 3.27Å; Y691-V693 PolarHBondContact O-N 3.03Å; V693-L695 VanDerWaalsContact C-N 3.34Å; V693-L695 PolarHBondContact O-N 3.02Å; V693-N696 WeakPolarHBondContact O-CB 3.19Å; V693-N696 PolarHBondContact O-N 3Å; V693-W697 PolarHBondContact O-N 3.05Å |
| 694 | A | 86.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I662 P690 Y691 N696 W697 S698 V702 I703 | I662-A694 VanDerWaalsContact CG2-CA 3.47Å; I662-A694 HydrophobicContact CG2-CB 3.71Å; P690-A694 PolarHBondContact O-N 2.87Å; Y691-A694 WeakPolarHBondContact O-CB 3.42Å; Y691-A694 PolarHBondContact O-N 3.4Å; Y691-A694 VanDerWaalsContact O-N 3.15Å; A694-N696 VanDerWaalsContact C-N 3.32Å; A694-N696 PolarHBondContact O-N 2.93Å; A694-W697 PolarHBondContact O-N 2.96Å; A694-S698 PolarHBondContact O-N 3.01Å; A694-V702 HydrophobicContact CB-CG1 4.42Å; A694-I703 HydrophobicContact CB-CG1 3.96Å; A694-I703 WeakPolarHBondContact O-CG1 3.49Å |
| 695 | L | 87.1 | Confident | 86.7 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 38% | 0.377 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 174.6 | -70.7 | 171.6 | 0 | 0 | 0 | 112.1 | Y691 V692 V693 W697 S698 I703 | Y691-L695 HydrophobicContact CD1-CD1 4.13Å; Y691-L695 HydrophobicContact CE1-CD1 3.7Å; Y691-L695 HydrophobicContact CE1-CG 4.39Å; Y691-L695 PolarHBondContact O-N 2.96Å; V692-L695 PolarHBondContact O-N 3.04Å; V693-L695 VanDerWaalsContact C-N 3.34Å; V693-L695 PolarHBondContact O-N 3.02Å; L695-W697 VanDerWaalsContact C-N 3.27Å; L695-W697 PolarHBondContact O-N 3.16Å; L695-S698 PolarHBondContact O-N 3.38Å; L695-S698 PolarHBondContact O-OG 2.85Å; L695-I703 HydrophobicContact CD2-CD1 4.28Å; L695-I703 HydrophobicContact CD2-CG1 4.47Å; L695-I703 HydrophobicContact CD2-CG2 3.91Å |
| 696 | N | 85.3 | Confident | 86.8 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 179.5 | -70 | -20.3 | 0 | 0 | 0 | 113.4 | V692 V693 A694 | V692-N696 VanDerWaalsContact O-CG 3.24Å; V692-N696 PolarHBondContact O-N 3.31Å; V692-N696 PolarHBondContact O-ND2 3.43Å; V693-N696 WeakPolarHBondContact O-CB 3.19Å; V693-N696 PolarHBondContact O-N 3Å; A694-N696 VanDerWaalsContact C-N 3.32Å; A694-N696 PolarHBondContact O-N 2.93Å |
| 697 | W | 83.3 | Confident | 86.9 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -91.9 | -11.1 | 177.7 | -77.4 | 85.6 | 0 | 0 | 0 | 113.6 | E663 V693 A694 L695 D699 | E663-W697 HydrophobicContact CB-CD2 4.38Å; E663-W697 HydrophobicContact CB-CZ2 3.86Å; E663-W697 HydrophobicContact CG-CZ2 4.05Å; E663-W697 VanDerWaalsContact O-CZ3 3.23Å; E663-W697 WeakPolarHBondContact O-CZ3 3.47Å; V693-W697 PolarHBondContact O-N 3.05Å; A694-W697 PolarHBondContact O-N 2.96Å; L695-W697 VanDerWaalsContact C-N 3.27Å; L695-W697 PolarHBondContact O-N 3.16Å; W697-D699 VanDerWaalsContact C-N 3.27Å; W697-D699 PolarHBondContact O-N 2.9Å; W697-D699 VanDerWaalsContact O-N 3.14Å |
| 698 | S | 81.1 | Confident | 87.1 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 63% | 0.629 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 25.7 | 166.1 | -61.2 | 0 | 0 | 0 | 0 | 115.6 | A694 L695 P700 | A694-S698 PolarHBondContact O-N 3.01Å; L695-S698 PolarHBondContact O-N 3.38Å; L695-S698 PolarHBondContact O-OG 2.85Å; S698-P700 WeakPolarHBondContact O-CD 3.32Å |
| 699 | D | 82.7 | Confident | 87.2 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | trans | -82.3 | 112.8 | 166.6 | -172.7 | -37 | 0 | 0 | 0 | 109.6 | S665 W697 R701 V702 I703 | S665-D699 WeakPolarHBondContact CB-OD2 3.3Å; W697-D699 VanDerWaalsContact C-N 3.27Å; W697-D699 PolarHBondContact O-N 2.9Å; W697-D699 VanDerWaalsContact O-N 3.14Å; D699-R701 VanDerWaalsContact C-N 3.29Å; D699-R701 PolarHBondContact O-N 3.07Å; D699-R701 WeakPolarHBondContact OD1-CB 3.39Å; D699-R701 PolarHBondContact OD1-N 3.4Å; D699-R701 IonicContact OD1-NE 3.3Å; D699-R701 PolarHBondContact OD1-NE 3.13Å; D699-R701 IonicContact OD1-NH2 3.46Å; D699-R701 IonicContact OD2-CZ 3.69Å; D699-R701 IonicContact OD2-NE 3.44Å; D699-R701 IonicContact OD2-NH2 2.97Å; D699-R701 PolarHBondContact OD2-NH2 3.34Å; D699-V702 HydrophobicContact CB-CB 4.29Å; D699-V702 HydrophobicContact CB-CG2 4.18Å; D699-V702 PolarHBondContact O-N 2.83Å; D699-I703 WeakPolarHBondContact O-CD1 3.33Å; D699-I703 WeakPolarHBondContact O-CG1 3.44Å; D699-I703 PolarHBondContact O-N 3.33Å | ||
| 700 | P | 85.1 | Confident | 87.2 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.3 | -37.2 | -174.4 | 22.4 | -32.2 | 0 | 0 | 0 | 113.1 | S698 I703 E704 | S698-P700 WeakPolarHBondContact O-CD 3.32Å; P700-I703 PolarHBondContact O-N 3.34Å; P700-E704 WeakPolarHBondContact O-CB 3.26Å; P700-E704 PolarHBondContact O-N 3.09Å |
| 701 | R | 87.4 | Confident | 87.1 | Confident | 148 Ų | 148 | 65 Ų | 65 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.2 | -41 | -177 | -59.9 | 169 | -64.7 | -177.8 | 2.6 | 111.3 | L667 D699 H705 | L667-R701 HydrophobicContact CD2-CB 4.36Å; D699-R701 VanDerWaalsContact C-N 3.29Å; D699-R701 PolarHBondContact O-N 3.07Å; D699-R701 WeakPolarHBondContact OD1-CB 3.39Å; D699-R701 PolarHBondContact OD1-N 3.4Å; D699-R701 IonicContact OD1-NE 3.3Å; D699-R701 PolarHBondContact OD1-NE 3.13Å; D699-R701 IonicContact OD1-NH2 3.46Å; D699-R701 IonicContact OD2-CZ 3.69Å; D699-R701 IonicContact OD2-NE 3.44Å; D699-R701 IonicContact OD2-NH2 2.97Å; D699-R701 PolarHBondContact OD2-NH2 3.34Å; R701-H705 WeakPolarHBondContact O-CB 3.37Å; R701-H705 PolarHBondContact O-N 2.85Å; R701-H705 VanDerWaalsContact O-N 3.08Å |
| 702 | V | 87.5 | Confident | 87 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.5 | -37.7 | 179.1 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | I662 L667 V670 A694 D699 V706 | I662-V702 HydrophobicContact CG1-CG1 4.25Å; I662-V702 HydrophobicContact CG2-CG1 4.13Å; L667-V702 HydrophobicContact CB-CG2 4.48Å; L667-V702 HydrophobicContact CD1-CG2 4.47Å; V670-V702 HydrophobicContact CG2-CG1 4.23Å; A694-V702 HydrophobicContact CB-CG1 4.42Å; D699-V702 HydrophobicContact CB-CB 4.29Å; D699-V702 HydrophobicContact CB-CG2 4.18Å; D699-V702 PolarHBondContact O-N 2.83Å; V702-V706 HydrophobicContact CG1-CG2 4.06Å; V702-V706 VanDerWaalsContact O-CB 3.29Å; V702-V706 WeakPolarHBondContact O-CB 3.24Å; V702-V706 WeakPolarHBondContact O-CG2 3.32Å; V702-V706 PolarHBondContact O-N 2.79Å |
| 703 | I | 88 | Confident | 86.8 | Confident | 32 Ų | 32 | 66 Ų | 66 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 176.6 | -66.8 | 161.6 | 0 | 0 | 0 | 110.4 | Y691 A694 L695 D699 P700 H707 | Y691-I703 HydrophobicContact CE2-CG2 4.07Å; A694-I703 HydrophobicContact CB-CG1 3.96Å; A694-I703 WeakPolarHBondContact O-CG1 3.49Å; L695-I703 HydrophobicContact CD2-CD1 4.28Å; L695-I703 HydrophobicContact CD2-CG1 4.47Å; L695-I703 HydrophobicContact CD2-CG2 3.91Å; D699-I703 WeakPolarHBondContact O-CD1 3.33Å; D699-I703 WeakPolarHBondContact O-CG1 3.44Å; D699-I703 PolarHBondContact O-N 3.33Å; P700-I703 PolarHBondContact O-N 3.34Å; I703-H707 VanDerWaalsContact O-CB 3.23Å; I703-H707 WeakPolarHBondContact O-CB 2.95Å; I703-H707 PolarHBondContact O-N 3.47Å |
| 704 | E | 89.8 | Confident | 86.7 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 59% | 0.593 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.7 | -51.6 | 178.1 | -173 | 178.4 | -175.9 | 0 | 0 | 110.7 | P700 V706 H707 D708 | P700-E704 WeakPolarHBondContact O-CB 3.26Å; P700-E704 PolarHBondContact O-N 3.09Å; E704-V706 PolarHBondContact O-N 3.39Å; E704-H707 WeakPolarHBondContact O-CB 3.45Å; E704-H707 PolarHBondContact O-N 3.14Å; E704-H707 VanDerWaalsContact O-N 3.11Å; E704-D708 PolarHBondContact O-N 2.85Å |
| 705 | H | 89.1 | Confident | 86.5 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | -178.4 | -166.2 | 89.6 | 0 | 0 | 0 | 113.6 | L667 D671 R701 H707 K709 | L667-H705 HydrophobicContact CD1-CB 3.63Å; D671-H705 VanDerWaalsContact CG-NE2 3.32Å; D671-H705 IonicContact OD1-CD2 3.89Å; D671-H705 PolarHBondContact OD1-CD2 2.86Å; D671-H705 IonicContact OD1-CE1 3.82Å; D671-H705 PolarHBondContact OD1-CE1 3.1Å; D671-H705 IonicContact OD1-CG 2.88Å; D671-H705 VanDerWaalsContact OD1-CG 3.3Å; D671-H705 IonicContact OD1-ND1 3.73Å; D671-H705 PolarHBondContact OD1-ND1 3.38Å; D671-H705 IonicContact OD1-NE2 3.72Å; D671-H705 PolarHBondContact OD1-NE2 2.99Å; D671-H705 IonicContact OD2-CE1 2.72Å; D671-H705 PolarHBondContact OD2-CE1 2.93Å; D671-H705 VanDerWaalsContact OD2-CE1 3.22Å; D671-H705 IonicContact OD2-ND1 2.75Å; D671-H705 IonicContact OD2-NE2 2.81Å; R701-H705 WeakPolarHBondContact O-CB 3.37Å; R701-H705 PolarHBondContact O-N 2.85Å; R701-H705 VanDerWaalsContact O-N 3.08Å; H705-H707 VanDerWaalsContact C-N 3.3Å; H705-K709 WeakPolarHBondContact NE2-CE 3.23Å; H705-K709 WeakPolarHBondContact O-CB 3.5Å; H705-K709 VanDerWaalsContact O-CG 3.28Å; H705-K709 WeakPolarHBondContact O-CG 3.37Å; H705-K709 PolarHBondContact O-N 3.24Å |
| 706 | V | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I662 V670 L680 P690 V702 E704 W710 | I662-V706 HydrophobicContact CD1-CG2 4.19Å; I662-V706 HydrophobicContact CG1-CG2 4.4Å; V670-V706 HydrophobicContact CG1-CG2 3.84Å; L680-V706 HydrophobicContact CD2-CG1 4.27Å; P690-V706 HydrophobicContact CB-CG1 4.44Å; V702-V706 HydrophobicContact CG1-CG2 4.06Å; V702-V706 VanDerWaalsContact O-CB 3.29Å; V702-V706 WeakPolarHBondContact O-CB 3.24Å; V702-V706 WeakPolarHBondContact O-CG2 3.32Å; V702-V706 PolarHBondContact O-N 2.79Å; E704-V706 PolarHBondContact O-N 3.39Å; V706-W710 WeakPolarHBondContact O-CB 3.45Å; V706-W710 PolarHBondContact O-N 3.41Å |
| 707 | H | 89.3 | Confident | 85.9 | Confident | 61 Ų | 61 | 69 Ų | 69 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -50.9 | 176.2 | -170 | 53.4 | 0 | 0 | 0 | 111.7 | Y691 I703 E704 H705 K709 W710 E711 | Y691-H707 HydrophobicContact CD2-CB 4.14Å; Y691-H707 HydrophobicContact CE2-CB 3.7Å; Y691-H707 AromaticContact CE2-CG 3.88Å; Y691-H707 AromaticContact CE2-ND1 3.63Å; Y691-H707 AromaticContact CZ-ND1 3.78Å; I703-H707 VanDerWaalsContact O-CB 3.23Å; I703-H707 WeakPolarHBondContact O-CB 2.95Å; I703-H707 PolarHBondContact O-N 3.47Å; E704-H707 WeakPolarHBondContact O-CB 3.45Å; E704-H707 PolarHBondContact O-N 3.14Å; E704-H707 VanDerWaalsContact O-N 3.11Å; H705-H707 VanDerWaalsContact C-N 3.3Å; H707-K709 VanDerWaalsContact C-N 3.31Å; H707-K709 PolarHBondContact O-N 3.02Å; H707-W710 WeakPolarHBondContact O-CA 3.49Å; H707-W710 VanDerWaalsContact O-CB 3.3Å; H707-W710 WeakPolarHBondContact O-CB 3.44Å; H707-W710 PolarHBondContact O-N 2.86Å; H707-E711 IonicContact CE1-OE1 2.81Å; H707-E711 IonicContact NE2-OE1 3.56Å; H707-E711 PolarHBondContact NE2-OE1 3.31Å; H707-E711 PolarHBondContact O-N 2.94Å |
| 708 | D | 90.2 | Very high | 85.7 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 179.7 | -67.7 | -11.1 | 0 | 0 | 0 | 111.5 | E704 W710 E711 L712 | E704-D708 PolarHBondContact O-N 2.85Å; D708-W710 VanDerWaalsContact C-N 3.3Å; D708-W710 PolarHBondContact O-N 3.43Å; D708-E711 PolarHBondContact O-N 2.99Å; D708-L712 WeakPolarHBondContact O-CB 3.48Å; D708-L712 VanDerWaalsContact O-CG 3.28Å; D708-L712 WeakPolarHBondContact O-CG 3.4Å; D708-L712 PolarHBondContact O-N 3.23Å |
| 709 | K | 89.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 66.7 Ų | 66.7 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.1 | -31.6 | 177.7 | -66.7 | -75.1 | -174.4 | -176.7 | 0 | 112.2 | L674 L680 H705 H707 A713 | L674-K709 HydrophobicContact CD1-CB 4.04Å; L674-K709 HydrophobicContact CD1-CG 3.87Å; L680-K709 HydrophobicContact CD1-CB 3.96Å; L680-K709 WeakPolarHBondContact CD1-O 3.31Å; H705-K709 WeakPolarHBondContact NE2-CE 3.23Å; H705-K709 WeakPolarHBondContact O-CB 3.5Å; H705-K709 VanDerWaalsContact O-CG 3.28Å; H705-K709 WeakPolarHBondContact O-CG 3.37Å; H705-K709 PolarHBondContact O-N 3.24Å; H707-K709 VanDerWaalsContact C-N 3.31Å; H707-K709 PolarHBondContact O-N 3.02Å; K709-A713 VanDerWaalsContact O-CB 3.25Å; K709-A713 WeakPolarHBondContact O-CB 3.45Å; K709-A713 PolarHBondContact O-N 3.34Å |
| 710 | W | 87.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 21% | 0.205 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 174.6 | 179.9 | -77.5 | 0 | 0 | 0 | 111.4 | L680 F681 N689 V706 H707 D708 A713 Q714 | L680-W710 HydrophobicContact CB-CE3 3.89Å; L680-W710 HydrophobicContact CB-CZ3 4.22Å; L680-W710 HydrophobicContact CD1-CB 4.44Å; L680-W710 VanDerWaalsContact O-CZ3 3.26Å; L680-W710 WeakPolarHBondContact O-CZ3 3.19Å; F681-W710 AromaticContact CD1-CH2 3.7Å; F681-W710 HydrophobicContact CD1-CH2 3.7Å; F681-W710 AromaticContact CD1-CZ2 3.85Å; F681-W710 HydrophobicContact CD1-CZ2 3.85Å; F681-W710 HydrophobicContact CD1-CZ3 4.2Å; F681-W710 HydrophobicContact CE1-CD2 4.46Å; F681-W710 AromaticContact CE1-CE2 3.99Å; F681-W710 HydrophobicContact CE1-CH2 4.08Å; F681-W710 AromaticContact CE1-CZ2 3.79Å; F681-W710 HydrophobicContact CE1-CZ2 3.79Å; N689-W710 HydrophobicContact CB-CH2 4Å; N689-W710 HydrophobicContact CB-CZ3 4.02Å; V706-W710 WeakPolarHBondContact O-CB 3.45Å; V706-W710 PolarHBondContact O-N 3.41Å; H707-W710 WeakPolarHBondContact O-CA 3.49Å; H707-W710 VanDerWaalsContact O-CB 3.3Å; H707-W710 WeakPolarHBondContact O-CB 3.44Å; H707-W710 PolarHBondContact O-N 2.86Å; D708-W710 VanDerWaalsContact C-N 3.3Å; D708-W710 PolarHBondContact O-N 3.43Å; W710-A713 PolarHBondContact O-N 3.27Å; W710-Q714 WeakPolarHBondContact O-CB 3.47Å; W710-Q714 PolarHBondContact O-N 3Å |
| 711 | E | 86.9 | Confident | 83.2 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.8 | -65.3 | -157.8 | 146.5 | 0 | 0 | 111.4 | H707 D708 A713 Q714 E715 | H707-E711 IonicContact CE1-OE1 2.81Å; H707-E711 IonicContact NE2-OE1 3.56Å; H707-E711 PolarHBondContact NE2-OE1 3.31Å; H707-E711 PolarHBondContact O-N 2.94Å; D708-E711 PolarHBondContact O-N 2.99Å; E711-A713 VanDerWaalsContact C-N 3.31Å; E711-A713 PolarHBondContact O-N 3Å; E711-Q714 WeakPolarHBondContact O-CB 3.36Å; E711-Q714 PolarHBondContact O-N 3.31Å; E711-Q714 VanDerWaalsContact O-N 3.13Å; E711-E715 WeakPolarHBondContact O-CG 3.29Å; E711-E715 PolarHBondContact O-N 3.36Å |
| 712 | L | 86.7 | Confident | 81.5 | Confident | 104 Ų | 104 | 77 Ų | 77 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 175.6 | -71.5 | 169.8 | 0 | 0 | 0 | 112.6 | D708 A716 | D708-L712 WeakPolarHBondContact O-CB 3.48Å; D708-L712 VanDerWaalsContact O-CG 3.28Å; D708-L712 WeakPolarHBondContact O-CG 3.4Å; D708-L712 PolarHBondContact O-N 3.23Å; L712-A716 WeakPolarHBondContact O-CB 3.45Å; L712-A716 PolarHBondContact O-N 2.97Å |
| 713 | A | 83.9 | Confident | 79.5 | Confident | 32 Ų | 32 | 85.3 Ų | 85.3 | 26% | 0.264 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L680 F681 K709 W710 E711 A717 | L680-A713 HydrophobicContact CD1-CB 4.21Å; F681-A713 HydrophobicContact CE2-CB 4.13Å; F681-A713 HydrophobicContact CZ-CB 4.19Å; K709-A713 VanDerWaalsContact O-CB 3.25Å; K709-A713 WeakPolarHBondContact O-CB 3.45Å; K709-A713 PolarHBondContact O-N 3.34Å; W710-A713 PolarHBondContact O-N 3.27Å; E711-A713 VanDerWaalsContact C-N 3.31Å; E711-A713 PolarHBondContact O-N 3Å; A713-A717 WeakPolarHBondContact O-CB 3.46Å; A713-A717 PolarHBondContact O-N 3.41Å |
| 714 | Q | 83.4 | Confident | 77.1 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 176.7 | -175 | 60.9 | 37.5 | 0 | 0 | 111 | F681 W710 E711 A716 A717 D718 | F681-Q714 VanDerWaalsContact CE1-OE1 3.31Å; F681-Q714 HydrophobicContact CZ-CB 4.41Å; W710-Q714 WeakPolarHBondContact O-CB 3.47Å; W710-Q714 PolarHBondContact O-N 3Å; E711-Q714 WeakPolarHBondContact O-CB 3.36Å; E711-Q714 PolarHBondContact O-N 3.31Å; E711-Q714 VanDerWaalsContact O-N 3.13Å; Q714-A716 VanDerWaalsContact C-N 3.34Å; Q714-A716 PolarHBondContact O-N 3.09Å; Q714-A717 WeakPolarHBondContact O-CB 3.45Å; Q714-A717 PolarHBondContact O-N 2.97Å; Q714-D718 PolarHBondContact NE2-OD2 3.25Å; Q714-D718 PolarHBondContact O-N 2.9Å |
| 715 | E | 83.4 | Confident | 74.5 | Confident | 99 Ų | 99 | 86.2 Ų | 86.2 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.4 | -74.4 | -168 | -176.6 | 0 | 0 | 112.4 | E711 A717 D718 K719 | E711-E715 WeakPolarHBondContact O-CG 3.29Å; E711-E715 PolarHBondContact O-N 3.36Å; E715-A717 VanDerWaalsContact C-N 3.32Å; E715-A717 PolarHBondContact O-N 3.33Å; E715-D718 PolarHBondContact O-N 3.15Å; E715-K719 WeakPolarHBondContact O-CB 3.48Å; E715-K719 WeakPolarHBondContact O-CG 3.5Å; E715-K719 PolarHBondContact O-N 3.26Å; E715-K719 IonicContact OE2-NZ 3.34Å; E715-K719 PolarHBondContact OE2-NZ 3.43Å |
| 716 | A | 81.7 | Confident | 71.8 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L712 Q714 Q720 | L712-A716 WeakPolarHBondContact O-CB 3.45Å; L712-A716 PolarHBondContact O-N 2.97Å; Q714-A716 VanDerWaalsContact C-N 3.34Å; Q714-A716 PolarHBondContact O-N 3.09Å; A716-Q720 WeakPolarHBondContact O-CG 3.42Å; A716-Q720 PolarHBondContact O-N 3.02Å |
| 717 | A | 78.3 | Confident | 69 | Low | 31 Ų | 31 | 97.9 Ų | 97.9 | 26% | 0.256 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A713 Q714 E715 Q720 K721 | A713-A717 WeakPolarHBondContact O-CB 3.46Å; A713-A717 PolarHBondContact O-N 3.41Å; Q714-A717 WeakPolarHBondContact O-CB 3.45Å; Q714-A717 PolarHBondContact O-N 2.97Å; E715-A717 VanDerWaalsContact C-N 3.32Å; E715-A717 PolarHBondContact O-N 3.33Å; A717-Q720 PolarHBondContact O-N 3.38Å; A717-K721 WeakPolarHBondContact O-CG 3.42Å; A717-K721 PolarHBondContact O-N 3.06Å; A717-K721 VanDerWaalsContact O-N 3.09Å |
| 718 | D | 80 | Confident | 66.1 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 32% | 0.321 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.1 | -33.2 | 179.9 | -69.8 | -29.2 | 0 | 0 | 0 | 112.7 | Q714 E715 K721 K722 | Q714-D718 PolarHBondContact NE2-OD2 3.25Å; Q714-D718 PolarHBondContact O-N 2.9Å; E715-D718 PolarHBondContact O-N 3.15Å; D718-K721 PolarHBondContact O-N 2.86Å; D718-K721 IonicContact OD1-NZ 3.94Å; D718-K721 PolarHBondContact OD1-NZ 3.17Å; D718-K722 PolarHBondContact O-N 3.49Å; D718-K722 VanDerWaalsContact O-N 3.08Å |
| 719 | K | 74.4 | Confident | 63 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.1 | -41.9 | 168.4 | -74.4 | 169.4 | -176.3 | 160.1 | 0 | 111.4 | E715 K721 K722 Q723 | E715-K719 WeakPolarHBondContact O-CB 3.48Å; E715-K719 WeakPolarHBondContact O-CG 3.5Å; E715-K719 PolarHBondContact O-N 3.26Å; E715-K719 IonicContact OE2-NZ 3.34Å; E715-K719 PolarHBondContact OE2-NZ 3.43Å; K719-K721 VanDerWaalsContact C-N 3.33Å; K719-K721 PolarHBondContact O-N 3.09Å; K719-K722 PolarHBondContact O-N 3.24Å; K719-K722 VanDerWaalsContact O-N 3.15Å; K719-Q723 PolarHBondContact O-N 2.95Å |
| 720 | Q | 60.5 | Low | 60 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.9 | -35.7 | 174.8 | -74.9 | -179.1 | 19.3 | 0 | 0 | 112.8 | A716 A717 K722 G724 | A716-Q720 WeakPolarHBondContact O-CG 3.42Å; A716-Q720 PolarHBondContact O-N 3.02Å; A717-Q720 PolarHBondContact O-N 3.38Å; Q720-K722 VanDerWaalsContact C-N 3.35Å; Q720-G724 PolarHBondContact O-N 3.42Å |
| 721 | K | 60 | Low | 57.2 | Low | 150 Ų | 150 | 122.4 Ų | 122.4 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.3 | -37.1 | 172.4 | -71.5 | 174.9 | -164.9 | 153.7 | 0 | 112.2 | A717 D718 K719 | A717-K721 WeakPolarHBondContact O-CG 3.42Å; A717-K721 PolarHBondContact O-N 3.06Å; A717-K721 VanDerWaalsContact O-N 3.09Å; D718-K721 PolarHBondContact O-N 2.86Å; D718-K721 IonicContact OD1-NZ 3.94Å; D718-K721 PolarHBondContact OD1-NZ 3.17Å; K719-K721 VanDerWaalsContact C-N 3.33Å; K719-K721 PolarHBondContact O-N 3.09Å |
| 722 | K | 53.5 | Low | 54.4 | Low | 186 Ų | 186 | 123.9 Ų | 123.9 | 81% | 0.809 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.9 | -31.7 | -179.5 | -73.9 | -177.9 | 178.2 | 178.6 | 0 | 114 | D718 K719 Q720 | D718-K722 PolarHBondContact O-N 3.49Å; D718-K722 VanDerWaalsContact O-N 3.08Å; K719-K722 PolarHBondContact O-N 3.24Å; K719-K722 VanDerWaalsContact O-N 3.15Å; Q720-K722 VanDerWaalsContact C-N 3.35Å |
| 723 | Q | 44 | Very low | 51.6 | Low | 178 Ų | 178 | 125.8 Ų | 125.8 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -101.1 | -3.2 | -176.8 | -68.6 | -175.6 | -5.5 | 0 | 0 | 115 | K719 | K719-Q723 PolarHBondContact O-N 2.95Å |
| 724 | G | 37.5 | Very low | 48.9 | Very low | 52 Ų | 52 | 129 Ų | 129 | 54% | 0.536 | 67% | 0.672 | S | S | . | * | trans | -108 | 14.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q720 A726 | Q720-G724 PolarHBondContact O-N 3.42Å; G724-A726 PolarHBondContact O-N 2.99Å; G724-A726 VanDerWaalsContact O-N 3.17Å | ||
| 725 | S | 35.6 | Very low | 46.2 | Very low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 69% | 0.692 | S | S | * | * | trans | -71.6 | -1 | 179.1 | 71 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 726 | A | 33.7 | Very low | 43.4 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 69% | 0.694 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -103.5 | 103 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | G724 | G724-A726 PolarHBondContact O-N 2.99Å; G724-A726 VanDerWaalsContact O-N 3.17Å |
| 727 | K | 29.4 | Very low | 40.8 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | 45.8 | 78.9 | 152.9 | -79.4 | 176 | 173.8 | 168.1 | 0 | 117.6 | K729 | K727-K729 PolarHBondContact O-N 3.06Š| ||
| 728 | R | 28 | Very low | 38.3 | Very low | 246 Ų | 246 | 137.4 Ų | 137.4 | 93% | 0.928 | 75% | 0.751 | S | S | * | * | trans | -81.1 | 97.2 | 150.4 | -86.1 | -178.6 | 158.7 | -179.1 | -4.9 | 110 | ||||
| 729 | K | 25.8 | Very low | 35.8 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.2 | 163.1 | -82.1 | 179.8 | 176.1 | 177.5 | 0 | 108.6 | K727 | K727-K729 PolarHBondContact O-N 3.06Š|
| 730 | R | 25.3 | Very low | 33.7 | Very low | 233 Ų | 233 | 138.8 Ų | 138.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 127.4 | 179.3 | -69 | 175.7 | 172.4 | 179.3 | -2.6 | 109.4 | T732 | R730-T732 PolarHBondContact O-N 3.4Š|
| 731 | P | 29 | Very low | 32.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.3 | 171.5 | 27.6 | -31.1 | 0 | 0 | 0 | 108.1 | T733 | P731-T733 PolarHBondContact O-N 3.39Š|
| 732 | T | 27.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.5 | 172.8 | 39.7 | 0 | 0 | 0 | 0 | 109.2 | R730 A734 | R730-T732 PolarHBondContact O-N 3.4Å; T732-A734 PolarHBondContact O-N 2.98Å |
| 733 | T | 28.9 | Very low | 29 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -54.1 | 95.8 | 176.1 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | P731 | P731-T733 PolarHBondContact O-N 3.39Š| ||
| 734 | A | 26.5 | Very low | 28.3 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -104.1 | 115.5 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | T732 | T732-A734 PolarHBondContact O-N 2.98Š| ||
| 735 | G | 25.9 | Very low | 27.8 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 71.2 | 52.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | T737 | G735-T737 PolarHBondContact O-N 3.4Š| ||
| 736 | S | 25.1 | Very low | 27.6 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 93 | 151.4 | 58.9 | 0 | 0 | 0 | 0 | 107.1 | S738 | S736-S738 PolarHBondContact O-N 2.93Š| ||
| 737 | T | 27.2 | Very low | 27.7 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -48.4 | 120 | 161.5 | 43.2 | 0 | 0 | 0 | 0 | 106.3 | G735 S739 | G735-T737 PolarHBondContact O-N 3.4Å; T737-S739 PolarHBondContact O-N 3.02Å | ||
| 738 | S | 25.6 | Very low | 28.1 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -44.7 | 106.8 | -175.6 | 49 | 0 | 0 | 0 | 0 | 109.3 | S736 S740 | S736-S738 PolarHBondContact O-N 2.93Å; S738-S740 PolarHBondContact O-N 3.08Å | ||
| 739 | S | 28 | Very low | 28.5 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 98.9 | 159.8 | 48.3 | 0 | 0 | 0 | 0 | 104.6 | T737 K741 | T737-S739 PolarHBondContact O-N 3.02Å; S739-K741 PolarHBondContact O-N 3.44Å | ||
| 740 | S | 30.9 | Very low | 29.3 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | -51.8 | 113.1 | 170.5 | 47.1 | 0 | 0 | 0 | 0 | 105 | S738 C742 | S738-S740 PolarHBondContact O-N 3.08Å; S740-C742 PolarHBondContact O-N 2.93Å | ||
| 741 | K | 25.4 | Very low | 30.3 | Very low | 193 Ų | 193 | 127.3 Ų | 127.3 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -45.3 | 116.3 | 168.8 | -73.4 | 173.2 | 178.1 | 171.6 | 0 | 104.9 | S739 S743 | S739-K741 PolarHBondContact O-N 3.44Å; K741-S743 PolarHBondContact O-N 2.92Å | ||
| 742 | C | 23.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 86% | 0.858 | 74% | 0.743 | S | S | * | * | trans | -61.5 | 76.7 | 167.7 | -80.4 | 0 | 0 | 0 | 0 | 107 | S740 V744 | S740-C742 PolarHBondContact O-N 2.93Å; C742-V744 PolarHBondContact O-N 2.77Å | ||
| 743 | S | 25.7 | Very low | 32.6 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -56.7 | 117.2 | 146.9 | 56 | 0 | 0 | 0 | 0 | 103.5 | K741 S745 | K741-S743 PolarHBondContact O-N 2.92Å; S743-S745 PolarHBondContact O-N 3.33Å; S743-S745 PolarHBondContact O-OG 3.24Å | ||
| 744 | V | 29.2 | Very low | 33.8 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -59.2 | 93 | 165 | 176.3 | 0 | 0 | 0 | 0 | 103.8 | C742 | C742-V744 PolarHBondContact O-N 2.77Š| ||
| 745 | S | 27.7 | Very low | 35.2 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | trans | -58.2 | 131.2 | 174 | -31 | 0 | 0 | 0 | 0 | 104.7 | S743 I747 | S743-S745 PolarHBondContact O-N 3.33Å; S743-S745 PolarHBondContact O-OG 3.24Å; S745-I747 PolarHBondContact O-N 2.95Å | ||
| 746 | P | 31.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -53 | 134.9 | 177 | 23.7 | -31.2 | 0 | 0 | 0 | 107.1 | R748 | P746-R748 PolarHBondContact O-N 2.78Š| ||
| 747 | I | 33.8 | Very low | 37.9 | Very low | 159 Ų | 159 | 119.1 Ų | 119.1 | 82% | 0.815 | 67% | 0.671 | S | S | * | * | trans | -35.2 | 102.3 | -179.4 | -63.6 | 161 | 0 | 0 | 0 | 107.4 | S745 K749 | S745-I747 PolarHBondContact O-N 2.95Å; I747-K749 PolarHBondContact O-N 3.35Å | ||
| 748 | R | 38.2 | Very low | 39 | Very low | 220 Ų | 220 | 114.1 Ų | 114.1 | 83% | 0.83 | 65% | 0.645 | S | S | * | * | trans | -61.3 | 113.5 | 175.4 | -86.7 | -174.5 | 173.3 | -173 | -2.2 | 103.7 | P746 F750 | P746-R748 PolarHBondContact O-N 2.78Å; R748-F750 PolarHBondContact O-N 2.95Å | ||
| 749 | K | 36.6 | Very low | 39.8 | Very low | 188 Ų | 188 | 112.9 Ų | 112.9 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | trans | -49.7 | 120.1 | 166 | -75.6 | -176.5 | 175.7 | -176.6 | 0 | 105.5 | I747 T751 | I747-K749 PolarHBondContact O-N 3.35Å; K749-T751 VanDerWaalsContact C-N 3.32Å; K749-T751 PolarHBondContact O-N 2.87Å | ||
| 750 | F | 44.1 | Very low | 40.6 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -61.4 | 97 | 178.5 | -85.3 | -82.8 | 0 | 0 | 0 | 107.4 | A510 Y512 R748 | A510-F750 HydrophobicContact CB-CD1 4.23Å; A510-F750 HydrophobicContact CB-CD2 4.31Å; A510-F750 HydrophobicContact CB-CE1 4.24Å; A510-F750 HydrophobicContact CB-CE2 4.32Å; A510-F750 HydrophobicContact CB-CG 4.27Å; A510-F750 HydrophobicContact CB-CZ 4.28Å; Y512-F750 VanDerWaalsContact OH-C 3.3Å; Y512-F750 WeakPolarHBondContact OH-CB 3.31Å; R748-F750 PolarHBondContact O-N 2.95Å | ||
| 751 | T | 45.3 | Very low | 40.9 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123.1 | 171.1 | 46.5 | 0 | 0 | 0 | 0 | 107.5 | Y512 K749 | Y512-T751 VanDerWaalsContact OH-C 3.22Å; Y512-T751 PolarHBondContact OH-O 2.78Å; K749-T751 VanDerWaalsContact C-N 3.32Å; K749-T751 PolarHBondContact O-N 2.87Å |
| 752 | P | 50.8 | Low | 41.3 | Very low | 59 Ų | 59 | 113.4 Ų | 113.4 | 38% | 0.383 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 141 | 175.6 | 11.4 | -15.8 | 0 | 0 | 0 | 110.2 | Y512 L756 | Y512-P752 HydrophobicContact CD1-CB 3.54Å; Y512-P752 HydrophobicContact CD1-CG 3.98Å; Y512-P752 VanDerWaalsContact CE1-CA 3.44Å; Y512-P752 HydrophobicContact CE1-CB 3.47Å; Y512-P752 VanDerWaalsContact CE1-CB 3.47Å; Y512-P752 HydrophobicContact CE1-CG 3.79Å; Y512-P752 HydrophobicContact CG-CB 4.12Å; Y512-P752 VanDerWaalsContact CZ-CA 3.46Å; P752-L756 HydrophobicContact CB-CD1 4.11Å; P752-L756 HydrophobicContact CB-CD2 4.34Å; P752-L756 HydrophobicContact CB-CG 4.4Å |
| 753 | P | 54.4 | Low | 41.8 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 140 | 171.4 | 23.2 | -30.3 | 0 | 0 | 0 | 110 | N755 | P753-N755 PolarHBondContact O-N 2.88Š|
| 754 | N | 53.7 | Low | 42.2 | Very low | 166 Ų | 166 | 117.7 Ų | 117.7 | 89% | 0.888 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -54.8 | -26.5 | -174.3 | -74.7 | -7.1 | 0 | 0 | 0 | 113.7 | ||
| 755 | N | 55.8 | Low | 42.3 | Very low | 142 Ų | 142 | 118.9 Ų | 118.9 | 76% | 0.759 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -110.6 | 79.7 | 178.8 | -65.6 | -6.6 | 0 | 0 | 0 | 109.7 | P753 | P753-N755 PolarHBondContact O-N 2.88Š|
| 756 | L | 55.5 | Low | 42.5 | Very low | 40 Ų | 40 | 122.5 Ų | 122.5 | 21% | 0.209 | 64% | 0.635 | C | S | . | * | trans | -68.7 | 134.8 | 170 | -75.7 | 160 | 0 | 0 | 0 | 109.5 | Y512 I521 P752 G758 S759 | Y512-L756 HydrophobicContact CG-CD2 4.34Å; I521-L756 HydrophobicContact CD1-CD2 4.08Å; P752-L756 HydrophobicContact CB-CD1 4.11Å; P752-L756 HydrophobicContact CB-CD2 4.34Å; P752-L756 HydrophobicContact CB-CG 4.4Å; L756-G758 PolarHBondContact O-N 2.91Å; L756-S759 WeakPolarHBondContact O-CB 3.33Å; L756-S759 PolarHBondContact O-N 3.34Å; L756-S759 VanDerWaalsContact O-N 3.14Å | ||
| 757 | P | 52.4 | Low | 42.6 | Very low | 24 Ų | 24 | 126.1 Ų | 126.1 | 16% | 0.156 | 64% | 0.641 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -58.8 | 130.2 | 178.4 | 20.1 | -29.4 | 0 | 0 | 0 | 110.7 | I521 Y579 | I521-P757 VanDerWaalsContact CD1-CD 3.5Å; I521-P757 HydrophobicContact CD1-CG 3.52Å; I521-P757 HydrophobicContact CG1-CG 3.82Å; Y579-P757 HydrophobicContact CD1-CG 4.23Å; Y579-P757 HydrophobicContact CE1-CB 3.87Å; Y579-P757 HydrophobicContact CE1-CG 3.69Å |
| 758 | G | 51.5 | Low | 42.8 | Very low | 25 Ų | 25 | 124 Ų | 124 | 26% | 0.258 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.6 | -8.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L756 Y760 | L756-G758 PolarHBondContact O-N 2.91Å; G758-Y760 VanDerWaalsContact O-CD2 3.23Å; G758-Y760 WeakPolarHBondContact O-CD2 3.1Å; G758-Y760 PolarHBondContact O-N 2.81Å |
| 759 | S | 42.1 | Very low | 42.8 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | trans | -76.4 | 75 | 168.4 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | L756 S761 | L756-S759 WeakPolarHBondContact O-CB 3.33Å; L756-S759 PolarHBondContact O-N 3.34Å; L756-S759 VanDerWaalsContact O-N 3.14Å; S759-S761 PolarHBondContact O-N 3.3Å | ||
| 760 | Y | 44.5 | Very low | 43.4 | Very low | 167 Ų | 167 | 116.3 Ų | 116.3 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | trans | -67.4 | 129.6 | 165.9 | -55.8 | -80.2 | 0 | 0 | 0 | 107.4 | G758 N762 | G758-Y760 VanDerWaalsContact O-CD2 3.23Å; G758-Y760 WeakPolarHBondContact O-CD2 3.1Å; G758-Y760 PolarHBondContact O-N 2.81Å; Y760-N762 PolarHBondContact O-N 3.15Å; Y760-N762 VanDerWaalsContact O-N 3.13Å | ||
| 761 | S | 37.6 | Very low | 44 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -50.4 | 126.3 | 166.8 | 42.7 | 0 | 0 | 0 | 0 | 107.3 | S759 L763 | S759-S761 PolarHBondContact O-N 3.3Å; S761-L763 PolarHBondContact O-N 3.43Å | ||
| 762 | N | 32.2 | Very low | 44.3 | Very low | 148 Ų | 148 | 114.4 Ų | 114.4 | 79% | 0.791 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -60 | 61.5 | -172 | -73.3 | -27.5 | 0 | 0 | 0 | 113.4 | Y760 | Y760-N762 PolarHBondContact O-N 3.15Å; Y760-N762 VanDerWaalsContact O-N 3.13Å |
| 763 | L | 35.1 | Very low | 44.3 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | trans | -87.2 | -11.9 | -178.3 | -143.2 | 77.2 | 0 | 0 | 0 | 112.1 | S761 | S761-L763 PolarHBondContact O-N 3.43Š| ||
| 764 | I | 33.4 | Very low | 44.4 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 84% | 0.841 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -116.5 | -3.1 | -169 | -64.5 | 165.6 | 0 | 0 | 0 | 114 | ||
| 765 | Q | 31.7 | Very low | 44.4 | Very low | 167 Ų | 167 | 116.6 Ų | 116.6 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | trans | -112.4 | 23.8 | 179.3 | -90.4 | -178.7 | -9.6 | 0 | 0 | 115.5 | H767 | Q765-H767 PolarHBondContact O-N 3.26Š| ||
| 766 | K | 32.9 | Very low | 44.2 | Very low | 155 Ų | 155 | 115.1 Ų | 115.1 | 67% | 0.674 | 58% | 0.58 | S | S | * | * | trans | -85 | 94.5 | 149.7 | -74.5 | -172.4 | -179.7 | -177.8 | 0 | 106.2 | F768 | K766-F768 HydrophobicContact CB-CD2 3.85Å; K766-F768 HydrophobicContact CB-CE2 3.56Å; K766-F768 HydrophobicContact CB-CG 4.47Å; K766-F768 HydrophobicContact CB-CZ 3.95Å; K766-F768 HydrophobicContact CD-CE1 4.44Å; K766-F768 HydrophobicContact CD-CE2 4.34Å; K766-F768 HydrophobicContact CD-CZ 3.91Å; K766-F768 WeakPolarHBondContact O-CD2 3.38Å; K766-F768 PolarHBondContact O-N 3.16Å | ||
| 767 | H | 34 | Very low | 43.8 | Very low | 187 Ų | 187 | 115.7 Ų | 115.7 | 87% | 0.866 | 59% | 0.586 | S | S | * | * | trans | -54.6 | 88 | 153.3 | -92.2 | -90.1 | 0 | 0 | 0 | 106.1 | Q765 D769 | Q765-H767 PolarHBondContact O-N 3.26Å; H767-D769 VanDerWaalsContact C-N 3.33Å; H767-D769 PolarHBondContact O-N 3Å | ||
| 768 | F | 37.2 | Very low | 43.7 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | trans | -67.9 | 104.2 | 167.8 | -75.7 | -80.3 | 0 | 0 | 0 | 104.5 | K766 L770 Y772 L773 | K766-F768 HydrophobicContact CB-CD2 3.85Å; K766-F768 HydrophobicContact CB-CE2 3.56Å; K766-F768 HydrophobicContact CB-CG 4.47Å; K766-F768 HydrophobicContact CB-CZ 3.95Å; K766-F768 HydrophobicContact CD-CE1 4.44Å; K766-F768 HydrophobicContact CD-CE2 4.34Å; K766-F768 HydrophobicContact CD-CZ 3.91Å; K766-F768 WeakPolarHBondContact O-CD2 3.38Å; K766-F768 PolarHBondContact O-N 3.16Å; F768-L770 PolarHBondContact O-N 2.92Å; F768-Y772 HydrophobicContact CD1-CD1 4.31Å; F768-L773 HydrophobicContact CB-CD1 3.95Å; F768-L773 HydrophobicContact CG-CD1 4.3Å | ||
| 769 | D | 39.2 | Very low | 43.6 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 65% | 0.647 | 64% | 0.639 | S | S | * | * | trans | -49 | 118.1 | 166.3 | -144 | 1.9 | 0 | 0 | 0 | 106.1 | H767 S771 Y772 L773 | H767-D769 VanDerWaalsContact C-N 3.33Å; H767-D769 PolarHBondContact O-N 3Å; D769-S771 PolarHBondContact O-N 2.95Å; D769-S771 PolarHBondContact OD2-OG 3.32Å; D769-Y772 WeakPolarHBondContact O-CA 3.35Å; D769-Y772 WeakPolarHBondContact O-CB 3.33Å; D769-Y772 PolarHBondContact O-N 3.23Å; D769-L773 PolarHBondContact O-N 2.88Å | ||
| 770 | L | 48 | Very low | 43.5 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -55.2 | -28.7 | -169.3 | -166.5 | 70.9 | 0 | 0 | 0 | 110.7 | F768 L773 I774 | F768-L770 PolarHBondContact O-N 2.92Å; L770-L773 PolarHBondContact O-N 2.79Å; L770-I774 HydrophobicContact CD2-CD1 4.43Å; L770-I774 HydrophobicContact CG-CD1 4.01Å; L770-I774 WeakPolarHBondContact O-CB 3.29Å; L770-I774 WeakPolarHBondContact O-CD1 3.46Å; L770-I774 WeakPolarHBondContact O-CG1 3.17Å; L770-I774 PolarHBondContact O-N 3.25Å |
| 771 | S | 55.9 | Low | 43.5 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 44% | 0.441 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -58.8 | -38.3 | 170.6 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | D769 K775 | D769-S771 PolarHBondContact O-N 2.95Å; D769-S771 PolarHBondContact OD2-OG 3.32Å; S771-K775 WeakPolarHBondContact O-CG 3.11Å; S771-K775 PolarHBondContact O-N 3.29Å |
| 772 | Y | 53.3 | Low | 43.7 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 52% | 0.522 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -72.4 | -40.6 | 174.8 | -174.8 | -90.2 | 0 | 0 | 0 | 111.5 | F768 D769 K775 H776 | F768-Y772 HydrophobicContact CD1-CD1 4.31Å; D769-Y772 WeakPolarHBondContact O-CA 3.35Å; D769-Y772 WeakPolarHBondContact O-CB 3.33Å; D769-Y772 PolarHBondContact O-N 3.23Å; Y772-K775 PolarHBondContact O-N 2.79Å; Y772-H776 AromaticContact CE1-CD2 3.4Å; Y772-H776 VanDerWaalsContact CE1-CD2 3.4Å; Y772-H776 WeakPolarHBondContact CE1-CD2 3.44Å; Y772-H776 AromaticContact CE1-NE2 3.97Å; Y772-H776 AromaticContact CZ-CD2 3.4Å; Y772-H776 AromaticContact CZ-NE2 3.54Å; Y772-H776 PolarHBondContact O-N 3.13Å; Y772-H776 VanDerWaalsContact O-N 3.08Å; Y772-H776 PolarHBondContact OH-NE2 2.68Å |
| 773 | L | 50.3 | Low | 44.1 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 41% | 0.414 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68 | -42.7 | -179.6 | -144.2 | 158.4 | 0 | 0 | 0 | 110.4 | F768 D769 L770 K775 H776 T777 | F768-L773 HydrophobicContact CB-CD1 3.95Å; F768-L773 HydrophobicContact CG-CD1 4.3Å; D769-L773 PolarHBondContact O-N 2.88Å; L770-L773 PolarHBondContact O-N 2.79Å; L773-K775 VanDerWaalsContact C-N 3.33Å; L773-K775 PolarHBondContact O-N 3.15Å; L773-H776 PolarHBondContact O-N 3.3Å; L773-H776 VanDerWaalsContact O-N 3.13Å; L773-T777 HydrophobicContact CD2-CG2 3.57Å; L773-T777 WeakPolarHBondContact O-CG2 3.31Å; L773-T777 PolarHBondContact O-N 3.28Å; L773-T777 PolarHBondContact O-OG1 3.19Å |
| 774 | I | 55.2 | Low | 44.5 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 46% | 0.462 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -62.5 | -38.4 | 174.9 | -68 | 164.7 | 0 | 0 | 0 | 111.7 | L770 H776 T777 | L770-I774 HydrophobicContact CD2-CD1 4.43Å; L770-I774 HydrophobicContact CG-CD1 4.01Å; L770-I774 WeakPolarHBondContact O-CB 3.29Å; L770-I774 WeakPolarHBondContact O-CD1 3.46Å; L770-I774 WeakPolarHBondContact O-CG1 3.17Å; L770-I774 PolarHBondContact O-N 3.25Å; I774-H776 VanDerWaalsContact C-N 3.31Å; I774-H776 PolarHBondContact O-N 2.89Å; I774-T777 WeakPolarHBondContact CA-OG1 3.03Å; I774-T777 PolarHBondContact O-OG1 3.02Å |
| 775 | K | 55.6 | Low | 45.1 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.5 | -31.4 | 175.5 | -79.3 | -179.3 | 179.4 | 179.9 | 0 | 112.7 | S771 Y772 L773 | S771-K775 WeakPolarHBondContact O-CG 3.11Å; S771-K775 PolarHBondContact O-N 3.29Å; Y772-K775 PolarHBondContact O-N 2.79Å; L773-K775 VanDerWaalsContact C-N 3.33Å; L773-K775 PolarHBondContact O-N 3.15Å |
| 776 | H | 50.4 | Low | 45.6 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 51% | 0.509 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -87.7 | -20.7 | 178.5 | -98.3 | -71.7 | 0 | 0 | 0 | 114.5 | Y772 L773 I774 Y778 S779 | Y772-H776 AromaticContact CE1-CD2 3.4Å; Y772-H776 VanDerWaalsContact CE1-CD2 3.4Å; Y772-H776 WeakPolarHBondContact CE1-CD2 3.44Å; Y772-H776 AromaticContact CE1-NE2 3.97Å; Y772-H776 AromaticContact CZ-CD2 3.4Å; Y772-H776 AromaticContact CZ-NE2 3.54Å; Y772-H776 PolarHBondContact O-N 3.13Å; Y772-H776 VanDerWaalsContact O-N 3.08Å; Y772-H776 PolarHBondContact OH-NE2 2.68Å; L773-H776 PolarHBondContact O-N 3.3Å; L773-H776 VanDerWaalsContact O-N 3.13Å; I774-H776 VanDerWaalsContact C-N 3.31Å; I774-H776 PolarHBondContact O-N 2.89Å; H776-Y778 PolarHBondContact O-N 3.32Å; H776-S779 PolarHBondContact O-N 2.89Å; H776-S779 VanDerWaalsContact O-N 3.16Å |
| 777 | T | 47.3 | Very low | 46.2 | Very low | 53 Ų | 53 | 137.4 Ų | 137.4 | 33% | 0.325 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -70.8 | -13.8 | -178.3 | 43.6 | 0 | 0 | 0 | 0 | 114.6 | L773 I774 S779 L780 | L773-T777 HydrophobicContact CD2-CG2 3.57Å; L773-T777 WeakPolarHBondContact O-CG2 3.31Å; L773-T777 PolarHBondContact O-N 3.28Å; L773-T777 PolarHBondContact O-OG1 3.19Å; I774-T777 WeakPolarHBondContact CA-OG1 3.03Å; I774-T777 PolarHBondContact O-OG1 3.02Å; T777-S779 PolarHBondContact O-N 3.17Å; T777-S779 VanDerWaalsContact O-N 3.12Å; T777-L780 VanDerWaalsContact O-CD1 3.24Å; T777-L780 WeakPolarHBondContact O-CD1 3.15Å; T777-L780 WeakPolarHBondContact O-CG 3.33Å |
| 778 | Y | 51.2 | Low | 46.5 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 85% | 0.847 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -6.3 | 170.4 | -77.2 | -74.6 | 0 | 0 | 0 | 113.4 | H776 | H776-Y778 PolarHBondContact O-N 3.32Š|
| 779 | S | 47.6 | Very low | 47 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 46.5 | 177.3 | -155.4 | 0 | 0 | 0 | 0 | 112.4 | H776 T777 E781 | H776-S779 PolarHBondContact O-N 2.89Å; H776-S779 VanDerWaalsContact O-N 3.16Å; T777-S779 PolarHBondContact O-N 3.17Å; T777-S779 VanDerWaalsContact O-N 3.12Å; S779-E781 PolarHBondContact O-N 2.68Å |
| 780 | L | 41 | Very low | 47.3 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 71% | 0.707 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 4.5 | -170.9 | -99.8 | 159.6 | 0 | 0 | 0 | 117.8 | T777 | T777-L780 VanDerWaalsContact O-CD1 3.24Å; T777-L780 WeakPolarHBondContact O-CD1 3.15Å; T777-L780 WeakPolarHBondContact O-CG 3.33Å |
| 781 | E | 43.8 | Very low | 47.5 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -17.1 | -172.9 | -78.3 | -164.9 | 159.4 | 0 | 0 | 116.8 | S779 | S779-E781 PolarHBondContact O-N 2.68Š|
| 782 | K | 42.6 | Very low | 47.2 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -111.2 | -2.8 | -164.1 | -83.1 | -172.2 | 177.9 | 178.1 | 0 | 120.3 | ||
| 783 | T | 39.5 | Very low | 47 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | -146.6 | 64.8 | 177.4 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | N785 | T783-N785 PolarHBondContact O-N 3.35Š| ||
| 784 | I | 43.7 | Very low | 47 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -73.1 | 86.1 | 161.9 | -57.9 | 172.1 | 0 | 0 | 0 | 106.9 | R786 | I784-R786 PolarHBondContact O-N 3.19Š| ||
| 785 | N | 47.2 | Very low | 46.8 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | -62.5 | 101.6 | 163.8 | -98 | -17.7 | 0 | 0 | 0 | 106.8 | T783 Q787 | T783-N785 PolarHBondContact O-N 3.35Å; N785-Q787 VanDerWaalsContact C-N 3.29Å; N785-Q787 PolarHBondContact O-N 2.82Å | ||
| 786 | R | 41.9 | Very low | 46.8 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -62.2 | 93.1 | 171.8 | -69.4 | -179.8 | 176.3 | 159.4 | -1.4 | 108 | I784 | I784-R786 PolarHBondContact O-N 3.19Š| ||
| 787 | Q | 44.5 | Very low | 47.1 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | trans | -73 | 125.1 | 171.7 | -68.8 | -179.5 | -6 | 0 | 0 | 107.7 | N785 I789 | N785-Q787 VanDerWaalsContact C-N 3.29Å; N785-Q787 PolarHBondContact O-N 2.82Å; Q787-I789 PolarHBondContact O-N 3.22Å | ||
| 788 | D | 41.7 | Very low | 47.6 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | -67.5 | 104.2 | 175.3 | -159.2 | 0.5 | 0 | 0 | 0 | 108 | R790 | D788-R790 PolarHBondContact O-N 2.97Å; D788-R790 WeakPolarHBondContact OD1-CG 3Å; D788-R790 IonicContact OD1-CZ 3.17Å; D788-R790 IonicContact OD1-NE 3.55Å; D788-R790 PolarHBondContact OD1-NE 3.3Å; D788-R790 IonicContact OD2-NE 3.7Å | ||
| 789 | I | 48 | Very low | 48.1 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -83.3 | 11.5 | -177.6 | 36.7 | 168.5 | 0 | 0 | 0 | 112.8 | Q787 I791 | Q787-I789 PolarHBondContact O-N 3.22Å; I789-I791 PolarHBondContact O-N 3.35Å | ||
| 790 | R | 44.8 | Very low | 49.1 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | trans | -64.9 | 109.5 | 173.5 | -72.2 | -179.8 | -128.4 | -158.8 | -5.2 | 109.5 | D788 C792 | D788-R790 PolarHBondContact O-N 2.97Å; D788-R790 WeakPolarHBondContact OD1-CG 3Å; D788-R790 IonicContact OD1-CZ 3.17Å; D788-R790 IonicContact OD1-NE 3.55Å; D788-R790 PolarHBondContact OD1-NE 3.3Å; D788-R790 IonicContact OD2-NE 3.7Å; R790-C792 PolarHBondContact O-N 2.83Å | ||
| 791 | I | 51.1 | Low | 50.4 | Low | 154 Ų | 154 | 138.3 Ų | 138.3 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | trans | -71.7 | 96.7 | 169 | -60.4 | 170.1 | 0 | 0 | 0 | 106.9 | I789 P793 | I789-I791 PolarHBondContact O-N 3.35Å; I791-P793 VanDerWaalsContact O-CD 3.28Å; I791-P793 WeakPolarHBondContact O-CD 3.31Å | ||
| 792 | C | 50.5 | Low | 52.1 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 72% | 0.716 | 65% | 0.648 | S | S | * | * | trans | -78.1 | 110.3 | 162.8 | -69.5 | 0 | 0 | 0 | 0 | 107.2 | R790 R794 | R790-C792 PolarHBondContact O-N 2.83Å; C792-R794 PolarHBondContact O-N 2.94Å | ||
| 793 | P | 48.8 | Very low | 53.8 | Low | 94 Ų | 94 | 131.3 Ų | 131.3 | 61% | 0.61 | 64% | 0.638 | S | S | * | * | trans | -59.1 | 130.5 | 176.9 | 25.4 | -32.9 | 0 | 0 | 0 | 108.8 | I791 Y795 | I791-P793 VanDerWaalsContact O-CD 3.28Å; I791-P793 WeakPolarHBondContact O-CD 3.31Å; P793-Y795 PolarHBondContact O-N 3.11Å | ||
| 794 | R | 49.9 | Very low | 55.7 | Low | 188 Ų | 188 | 133.1 Ų | 133.1 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -70.3 | -14.8 | -175.4 | -56.7 | -167.1 | -179.7 | -175.6 | 0.6 | 113.8 | E527 C792 | E527-R794 WeakPolarHBondContact OE1-CD 3.31Å; E527-R794 IonicContact OE1-NH1 3.59Å; E527-R794 PolarHBondContact OE1-NH1 2.96Å; E527-R794 WeakPolarHBondContact OE2-CB 3.22Å; C792-R794 PolarHBondContact O-N 2.94Å |
| 795 | Y | 51.1 | Low | 57.5 | Low | 101 Ų | 101 | 130.8 Ų | 130.8 | 40% | 0.396 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -120.7 | 130 | 173.7 | -176.8 | -98.7 | 0 | 0 | 0 | 108.9 | P793 W797 | P793-Y795 PolarHBondContact O-N 3.11Å; Y795-W797 PolarHBondContact O-N 3.37Å; Y795-W797 VanDerWaalsContact O-N 3.13Å |
| 796 | P | 55.8 | Low | 59 | Low | 63 Ų | 63 | 131.6 Ų | 131.6 | 41% | 0.409 | 62% | 0.616 | S | S | . | * | trans | -64 | 114.6 | 169.2 | 24.8 | -29.6 | 0 | 0 | 0 | 108.3 | A574 L798 | A574-P796 HydrophobicContact CB-CG 3.85Å; P796-L798 HydrophobicContact CB-CG 4.44Å; P796-L798 HydrophobicContact CG-CD1 4.48Å; P796-L798 PolarHBondContact O-N 3.18Å | ||
| 797 | W | 56.4 | Low | 60.8 | Low | 119 Ų | 119 | 124.8 Ų | 124.8 | 45% | 0.451 | 60% | 0.597 | S | S | . | * | trans | -70.2 | 80.4 | -177.4 | -135.5 | 77.2 | 0 | 0 | 0 | 110 | P542 P545 Y795 | P542-W797 HydrophobicContact CB-CH2 4.09Å; P542-W797 HydrophobicContact CB-CZ2 4.07Å; P542-W797 HydrophobicContact CG-CZ2 4.21Å; P542-W797 WeakPolarHBondContact O-CH2 3.44Å; P545-W797 VanDerWaalsContact CA-CZ2 3.49Å; P545-W797 HydrophobicContact CB-CD2 4.3Å; P545-W797 HydrophobicContact CB-CZ2 4.28Å; P545-W797 HydrophobicContact CG-CD2 3.69Å; P545-W797 HydrophobicContact CG-CE3 3.93Å; P545-W797 HydrophobicContact CG-CG 4Å; P545-W797 HydrophobicContact CG-CH2 4.37Å; P545-W797 HydrophobicContact CG-CZ2 4.21Å; P545-W797 HydrophobicContact CG-CZ3 4.27Å; Y795-W797 PolarHBondContact O-N 3.37Å; Y795-W797 VanDerWaalsContact O-N 3.13Å | ||
| 798 | L | 58.6 | Low | 62.6 | Low | 109 Ų | 109 | 120.3 Ų | 120.3 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 140.6 | 177.6 | -69.4 | 167.3 | 0 | 0 | 0 | 109.6 | P796 K800 | P796-L798 HydrophobicContact CB-CG 4.44Å; P796-L798 HydrophobicContact CG-CD1 4.48Å; P796-L798 PolarHBondContact O-N 3.18Å; L798-K800 PolarHBondContact O-N 2.97Å; L798-K800 VanDerWaalsContact O-N 3.16Å |
| 799 | P | 61.5 | Low | 64.4 | Low | 127 Ų | 127 | 119.8 Ų | 119.8 | 83% | 0.825 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 121.9 | 171.5 | -20.5 | 30.8 | 0 | 0 | 0 | 109.6 | ||
| 800 | K | 67.7 | Low | 65.9 | Low | 114 Ų | 114 | 113.1 Ų | 113.1 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 136.8 | 170.7 | -71.6 | -178.1 | 179.9 | 171.9 | 0 | 108 | L798 N802 | L798-K800 PolarHBondContact O-N 2.97Å; L798-K800 VanDerWaalsContact O-N 3.16Å; K800-N802 PolarHBondContact O-N 3.18Å |
| 801 | L | 69.6 | Low | 67.6 | Low | 72 Ų | 72 | 106 Ų | 106 | 38% | 0.377 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 126.9 | 176.7 | -68.8 | 161.5 | 0 | 0 | 0 | 109.4 | E805 R806 K809 | L801-E805 WeakPolarHBondContact CA-OE2 3.49Å; L801-E805 HydrophobicContact CB-CB 4.16Å; L801-E805 HydrophobicContact CD2-CB 3.88Å; L801-E805 WeakPolarHBondContact CD2-OE2 3.28Å; L801-R806 HydrophobicContact CB-CG 3.56Å; L801-R806 HydrophobicContact CD1-CG 4.47Å; L801-K809 HydrophobicContact CD1-CD 3.82Å |
| 802 | N | 79.5 | Confident | 69 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 33% | 0.326 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 158.9 | 172.7 | -78.3 | -7.2 | 0 | 0 | 0 | 110.2 | A538 K800 E804 E805 R806 | A538-N802 PolarHBondContact O-OD1 3.48Å; K800-N802 PolarHBondContact O-N 3.18Å; N802-E804 PolarHBondContact O-N 2.97Å; N802-E804 VanDerWaalsContact O-N 3.17Å; N802-E805 HydrophobicContact CB-CG 4.23Å; N802-E805 PolarHBondContact N-OE2 3.22Å; N802-E805 VanDerWaalsContact N-OE2 3.11Å; N802-E805 PolarHBondContact O-N 2.94Å; N802-R806 WeakPolarHBondContact O-CG 3.39Å; N802-R806 PolarHBondContact O-N 3.47Å |
| 803 | R | 77.3 | Confident | 70.2 | Confident | 172 Ų | 172 | 99.6 Ų | 99.6 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -51.7 | -41.7 | 178.4 | 179.5 | 178.1 | 176.3 | 160.4 | -1.1 | 112.6 | D539 R806 L807 | D539-R803 WeakPolarHBondContact OD1-CB 3.34Å; D539-R803 PolarHBondContact OD1-N 2.89Å; R803-R806 PolarHBondContact O-N 3.22Å; R803-L807 HydrophobicContact CG-CD1 4.39Å; R803-L807 WeakPolarHBondContact O-CG 3.41Å; R803-L807 PolarHBondContact O-N 3.44Å |
| 804 | E | 79.8 | Confident | 71.6 | Confident | 164 Ų | 164 | 99.4 Ų | 99.4 | 77% | 0.766 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 177.2 | -65.6 | -173.7 | 167.4 | 0 | 0 | 112.1 | N802 R806 L807 A808 | N802-E804 PolarHBondContact O-N 2.97Å; N802-E804 VanDerWaalsContact O-N 3.17Å; E804-R806 VanDerWaalsContact C-N 3.32Å; E804-R806 PolarHBondContact O-N 2.84Å; E804-L807 PolarHBondContact O-N 3.49Å; E804-A808 WeakPolarHBondContact O-CB 3.23Å; E804-A808 PolarHBondContact O-N 2.82Å |
| 805 | E | 82.3 | Confident | 72.8 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 177.4 | -62.1 | 178.4 | 158.1 | 0 | 0 | 111.8 | L801 N802 L807 A808 K809 | L801-E805 WeakPolarHBondContact CA-OE2 3.49Å; L801-E805 HydrophobicContact CB-CB 4.16Å; L801-E805 HydrophobicContact CD2-CB 3.88Å; L801-E805 WeakPolarHBondContact CD2-OE2 3.28Å; N802-E805 HydrophobicContact CB-CG 4.23Å; N802-E805 PolarHBondContact N-OE2 3.22Å; N802-E805 VanDerWaalsContact N-OE2 3.11Å; N802-E805 PolarHBondContact O-N 2.94Å; E805-L807 VanDerWaalsContact C-N 3.34Å; E805-A808 PolarHBondContact O-N 2.82Å; E805-K809 VanDerWaalsContact O-CB 3.32Å; E805-K809 WeakPolarHBondContact O-CB 3.19Å; E805-K809 PolarHBondContact O-N 2.73Å |
| 806 | R | 78.4 | Confident | 73.8 | Confident | 158 Ų | 158 | 100.8 Ų | 100.8 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.2 | -40.1 | 174.1 | -68.1 | -179.7 | 77.1 | 166.1 | 4.9 | 111.6 | L801 N802 R803 E804 L810 | L801-R806 HydrophobicContact CB-CG 3.56Å; L801-R806 HydrophobicContact CD1-CG 4.47Å; N802-R806 WeakPolarHBondContact O-CG 3.39Å; N802-R806 PolarHBondContact O-N 3.47Å; R803-R806 PolarHBondContact O-N 3.22Å; E804-R806 VanDerWaalsContact C-N 3.32Å; E804-R806 PolarHBondContact O-N 2.84Å; R806-L810 WeakPolarHBondContact O-CB 3.41Å; R806-L810 PolarHBondContact O-N 2.79Å |
| 807 | L | 79.2 | Confident | 74.6 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 175.4 | -72.1 | 171 | 0 | 0 | 0 | 111.6 | R803 E804 E805 L810 A811 | R803-L807 HydrophobicContact CG-CD1 4.39Å; R803-L807 WeakPolarHBondContact O-CG 3.41Å; R803-L807 PolarHBondContact O-N 3.44Å; E804-L807 PolarHBondContact O-N 3.49Å; E805-L807 VanDerWaalsContact C-N 3.34Å; L807-L810 WeakPolarHBondContact O-CB 3.12Å; L807-L810 PolarHBondContact O-N 3Å; L807-A811 WeakPolarHBondContact O-CB 3.37Å; L807-A811 PolarHBondContact O-N 2.76Å |
| 808 | A | 83 | Confident | 75.2 | Confident | 59 Ų | 59 | 94.1 Ų | 94.1 | 49% | 0.488 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E804 E805 L810 A811 E812 | E804-A808 WeakPolarHBondContact O-CB 3.23Å; E804-A808 PolarHBondContact O-N 2.82Å; E805-A808 PolarHBondContact O-N 2.82Å; A808-L810 VanDerWaalsContact C-N 3.27Å; A808-L810 PolarHBondContact O-N 2.9Å; A808-A811 WeakPolarHBondContact O-CB 3.48Å; A808-A811 PolarHBondContact O-N 3.47Å; A808-A811 VanDerWaalsContact O-N 3.1Å; A808-E812 PolarHBondContact O-N 3.44Å |
| 809 | K | 79.8 | Confident | 75.6 | Confident | 108 Ų | 108 | 99.3 Ų | 99.3 | 47% | 0.47 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 176.6 | -149.9 | 175.3 | -171.3 | -179.1 | 0 | 112 | L801 E805 A813 | L801-K809 HydrophobicContact CD1-CD 3.82Å; E805-K809 VanDerWaalsContact O-CB 3.32Å; E805-K809 WeakPolarHBondContact O-CB 3.19Å; E805-K809 PolarHBondContact O-N 2.73Å; K809-A813 WeakPolarHBondContact O-CB 3.43Å; K809-A813 PolarHBondContact O-N 3.05Å |
| 810 | L | 78.7 | Confident | 75.6 | Confident | 18 Ų | 18 | 99.6 Ų | 99.6 | 9% | 0.094 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 172 | -176.7 | 72.5 | 0 | 0 | 0 | 111.9 | R806 L807 A808 A813 R814 F821 L823 | R806-L810 WeakPolarHBondContact O-CB 3.41Å; R806-L810 PolarHBondContact O-N 2.79Å; L807-L810 WeakPolarHBondContact O-CB 3.12Å; L807-L810 PolarHBondContact O-N 3Å; A808-L810 VanDerWaalsContact C-N 3.27Å; A808-L810 PolarHBondContact O-N 2.9Å; L810-A813 PolarHBondContact O-N 3.32Å; L810-R814 WeakPolarHBondContact O-CG 3.26Å; L810-R814 PolarHBondContact O-N 2.91Å; L810-F821 HydrophobicContact CD1-CD1 4.28Å; L810-F821 HydrophobicContact CD1-CE1 4.45Å; L810-L823 HydrophobicContact CD1-CD2 4.22Å; L810-L823 HydrophobicContact CD1-CG 4.41Å; L810-L823 HydrophobicContact CD2-CD2 3.93Å; L810-L823 HydrophobicContact CD2-CG 4.02Å |
| 811 | A | 79.7 | Confident | 75.4 | Confident | 46 Ų | 46 | 96.9 Ų | 96.9 | 38% | 0.38 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | L807 A808 A813 R814 E815 | L807-A811 WeakPolarHBondContact O-CB 3.37Å; L807-A811 PolarHBondContact O-N 2.76Å; A808-A811 WeakPolarHBondContact O-CB 3.48Å; A808-A811 PolarHBondContact O-N 3.47Å; A808-A811 VanDerWaalsContact O-N 3.1Å; A811-A813 VanDerWaalsContact C-N 3.32Å; A811-A813 PolarHBondContact O-N 3.35Å; A811-R814 PolarHBondContact O-N 3.45Å; A811-R814 VanDerWaalsContact O-N 3.1Å; A811-E815 PolarHBondContact O-N 3.04Å |
| 812 | E | 80.7 | Confident | 75.1 | Confident | 109 Ų | 109 | 94.9 Ų | 94.9 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.3 | -43.4 | 174.3 | -170.4 | -173.7 | 173.8 | 0 | 0 | 111.6 | A808 R814 E815 R816 | A808-E812 PolarHBondContact O-N 3.44Å; E812-R814 VanDerWaalsContact C-N 3.34Å; E812-R814 PolarHBondContact O-N 3Å; E812-E815 PolarHBondContact O-N 3.04Å; E812-R816 WeakPolarHBondContact O-CB 3.38Å; E812-R816 PolarHBondContact O-N 3.46Å; E812-R816 VanDerWaalsContact O-N 3.07Å |
| 813 | A | 76.2 | Confident | 74 | Confident | 16 Ų | 16 | 96 Ų | 96 | 13% | 0.132 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K809 L810 A811 R816 Y817 F821 | K809-A813 WeakPolarHBondContact O-CB 3.43Å; K809-A813 PolarHBondContact O-N 3.05Å; L810-A813 PolarHBondContact O-N 3.32Å; A811-A813 VanDerWaalsContact C-N 3.32Å; A811-A813 PolarHBondContact O-N 3.35Å; A813-R816 PolarHBondContact O-N 3.38Å; A813-Y817 HydrophobicContact CB-CD2 4.24Å; A813-Y817 WeakPolarHBondContact O-CB 3.3Å; A813-Y817 VanDerWaalsContact O-CD2 3.26Å; A813-Y817 WeakPolarHBondContact O-CD2 3.43Å; A813-Y817 PolarHBondContact O-N 3.41Å; A813-F821 HydrophobicContact CB-CD1 3.71Å; A813-F821 HydrophobicContact CB-CE1 3.59Å; A813-F821 HydrophobicContact CB-CZ 4.33Å |
| 814 | R | 78.2 | Confident | 72.9 | Confident | 90 Ų | 90 | 91.7 Ų | 91.7 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 176.3 | -78.4 | 175.8 | 173.9 | 167.5 | -4 | 113 | L810 A811 E812 R816 G818 F821 | L810-R814 WeakPolarHBondContact O-CG 3.26Å; L810-R814 PolarHBondContact O-N 2.91Å; A811-R814 PolarHBondContact O-N 3.45Å; A811-R814 VanDerWaalsContact O-N 3.1Å; E812-R814 VanDerWaalsContact C-N 3.34Å; E812-R814 PolarHBondContact O-N 3Å; R814-R816 VanDerWaalsContact C-N 3.28Å; R814-R816 PolarHBondContact O-N 3.04Å; R814-G818 CarbonylContact O-C 3.26Å; R814-G818 VanDerWaalsContact O-C 3.26Å; R814-G818 WeakPolarHBondContact O-CA 3.17Å; R814-G818 PolarHBondContact O-N 3.32Å; R814-F821 HydrophobicContact CG-CB 4.41Å; R814-F821 PolarHBondContact NE-O 3.46Å |
| 815 | E | 75.1 | Confident | 71.4 | Confident | 175 Ų | 175 | 90.1 Ų | 90.1 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 173.3 | -72.6 | -178.2 | 176 | 0 | 0 | 111.2 | A811 E812 | A811-E815 PolarHBondContact O-N 3.04Å; E812-E815 PolarHBondContact O-N 3.04Å |
| 816 | R | 72.6 | Confident | 69.8 | Low | 144 Ų | 144 | 88.8 Ų | 88.8 | 54% | 0.543 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -84.6 | -40.7 | -174.7 | -159 | 166.9 | -179.4 | 158.5 | -4.9 | 114.1 | D635 E812 A813 R814 | D635-R816 IonicContact OD1-CZ 3.18Å; D635-R816 IonicContact OD1-NE 2.67Å; D635-R816 IonicContact OD1-NH2 3.22Å; D635-R816 PolarHBondContact OD1-NH2 3.36Å; D635-R816 IonicContact OD2-CZ 2.97Å; D635-R816 VanDerWaalsContact OD2-CZ 3.26Å; D635-R816 IonicContact OD2-NE 3.02Å; D635-R816 PolarHBondContact OD2-NE 3.06Å; D635-R816 VanDerWaalsContact OD2-NE 3.17Å; D635-R816 IonicContact OD2-NH2 3.73Å; D635-R816 PolarHBondContact OD2-NH2 3.27Å; E812-R816 WeakPolarHBondContact O-CB 3.38Å; E812-R816 PolarHBondContact O-N 3.46Å; E812-R816 VanDerWaalsContact O-N 3.07Å; A813-R816 PolarHBondContact O-N 3.38Å; R814-R816 VanDerWaalsContact C-N 3.28Å; R814-R816 PolarHBondContact O-N 3.04Å |
| 817 | Y | 72.8 | Confident | 68.2 | Low | 20 Ų | 20 | 85.2 Ų | 85.2 | 8% | 0.078 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -109 | 3.2 | -175.7 | -55.9 | -70.4 | 0 | 0 | 0 | 113.7 | M633 D635 R666 A813 F821 | M633-Y817 HydrophobicContact CB-CE1 4.38Å; M633-Y817 HydrophobicContact CE-CD1 4.06Å; M633-Y817 HydrophobicContact CE-CD2 3.85Å; M633-Y817 HydrophobicContact CE-CE1 3.75Å; M633-Y817 HydrophobicContact CE-CE2 3.56Å; M633-Y817 HydrophobicContact CE-CG 4.1Å; M633-Y817 VanDerWaalsContact CE-CZ 3.47Å; M633-Y817 HydrophobicContact SD-CD1 3.61Å; M633-Y817 HydrophobicContact SD-CD2 4.22Å; M633-Y817 HydrophobicContact SD-CE1 3.74Å; M633-Y817 HydrophobicContact SD-CE2 4.38Å; M633-Y817 HydrophobicContact SD-CG 3.85Å; D635-Y817 WeakPolarHBondContact CB-OH 3.25Å; D635-Y817 VanDerWaalsContact CG-OH 3.25Å; D635-Y817 PolarHBondContact OD2-OH 2.91Å; R666-Y817 PolarHBondContact NH1-O 2.64Å; R666-Y817 PolarHBondContact NH2-O 3.06Å; A813-Y817 HydrophobicContact CB-CD2 4.24Å; A813-Y817 WeakPolarHBondContact O-CB 3.3Å; A813-Y817 VanDerWaalsContact O-CD2 3.26Å; A813-Y817 WeakPolarHBondContact O-CD2 3.43Å; A813-Y817 PolarHBondContact O-N 3.41Å; Y817-F821 HydrophobicContact CD2-CD2 4.47Å |
| 818 | G | 67.9 | Low | 66.8 | Low | 22 Ų | 22 | 84.1 Ų | 84.1 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | trans | 85 | 168.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R814 D820 F821 | R814-G818 CarbonylContact O-C 3.26Å; R814-G818 VanDerWaalsContact O-C 3.26Å; R814-G818 WeakPolarHBondContact O-CA 3.17Å; R814-G818 PolarHBondContact O-N 3.32Å; G818-D820 VanDerWaalsContact C-N 3.27Å; G818-D820 PolarHBondContact O-N 2.81Å; G818-F821 WeakPolarHBondContact O-CB 3.28Å; G818-F821 PolarHBondContact O-N 2.71Å | ||
| 819 | W | 66.8 | Low | 65.2 | Low | 218 Ų | 218 | 87.1 Ų | 87.1 | 83% | 0.826 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.2 | -170.3 | -70.2 | 85.6 | 0 | 0 | 0 | 114.5 | F821 | W819-F821 PolarHBondContact O-N 3.42Š|
| 820 | D | 62.4 | Low | 63.3 | Low | 133 Ų | 133 | 87.2 Ų | 87.2 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11 | 177.6 | -51.1 | -26.8 | 0 | 0 | 0 | 112.8 | G818 G822 | G818-D820 VanDerWaalsContact C-N 3.27Å; G818-D820 PolarHBondContact O-N 2.81Å; D820-G822 PolarHBondContact O-N 3.09Å |
| 821 | F | 64.2 | Low | 61.4 | Low | 57 Ų | 57 | 93.9 Ų | 93.9 | 25% | 0.25 | 48% | 0.481 | C | S | . | . | trans | -69.3 | 99 | 176.9 | -165.2 | -93.9 | 0 | 0 | 0 | 110.6 | M633 L810 A813 R814 Y817 G818 W819 | M633-F821 HydrophobicContact CE-CE2 3.7Å; M633-F821 HydrophobicContact CE-CZ 4.33Å; M633-F821 HydrophobicContact SD-CD2 4.32Å; M633-F821 HydrophobicContact SD-CE2 3.94Å; L810-F821 HydrophobicContact CD1-CD1 4.28Å; L810-F821 HydrophobicContact CD1-CE1 4.45Å; A813-F821 HydrophobicContact CB-CD1 3.71Å; A813-F821 HydrophobicContact CB-CE1 3.59Å; A813-F821 HydrophobicContact CB-CZ 4.33Å; R814-F821 HydrophobicContact CG-CB 4.41Å; R814-F821 PolarHBondContact NE-O 3.46Å; Y817-F821 HydrophobicContact CD2-CD2 4.47Å; G818-F821 WeakPolarHBondContact O-CB 3.28Å; G818-F821 PolarHBondContact O-N 2.71Å; W819-F821 PolarHBondContact O-N 3.42Å | ||
| 822 | G | 62.4 | Low | 59.7 | Low | 30 Ų | 30 | 95.8 Ų | 95.8 | 31% | 0.309 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 165.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D820 | D820-G822 PolarHBondContact O-N 3.09Š|
| 823 | L | 57.3 | Low | 58.1 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 142.5 | 171 | -78.5 | 160.4 | 0 | 0 | 0 | 110.4 | L810 N825 V826 | L810-L823 HydrophobicContact CD1-CD2 4.22Å; L810-L823 HydrophobicContact CD1-CG 4.41Å; L810-L823 HydrophobicContact CD2-CD2 3.93Å; L810-L823 HydrophobicContact CD2-CG 4.02Å; L823-N825 PolarHBondContact O-N 3.09Å; L823-V826 HydrophobicContact CB-CB 3.88Å; L823-V826 HydrophobicContact CB-CG2 3.55Å; L823-V826 HydrophobicContact CD1-CG2 4.03Å; L823-V826 HydrophobicContact CG-CG2 4.45Å; L823-V826 PolarHBondContact O-N 2.91Å |
| 824 | P | 52.8 | Low | 56.7 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 126.4 | 171.7 | 14.9 | -20.4 | 0 | 0 | 0 | 109.7 | ||
| 825 | N | 49 | Very low | 55.3 | Low | 130 Ų | 130 | 102.3 Ų | 102.3 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 9.3 | -173.9 | -56.2 | -23.6 | 0 | 0 | 0 | 117.3 | L823 | L823-N825 PolarHBondContact O-N 3.09Š|
| 826 | V | 48.6 | Very low | 54.2 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 42% | 0.418 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -102.1 | 119.2 | 168.1 | -177 | 0 | 0 | 0 | 0 | 108.7 | L823 S828 L830 | L823-V826 HydrophobicContact CB-CB 3.88Å; L823-V826 HydrophobicContact CB-CG2 3.55Å; L823-V826 HydrophobicContact CD1-CG2 4.03Å; L823-V826 HydrophobicContact CG-CG2 4.45Å; L823-V826 PolarHBondContact O-N 2.91Å; V826-S828 PolarHBondContact O-N 3.13Å; V826-S828 VanDerWaalsContact O-N 3.15Å; V826-L830 HydrophobicContact CG1-CD1 3.89Å |
| 827 | P | 44.9 | Very low | 53.7 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | trans | -55.5 | 121.9 | 176.1 | -18.4 | 26.1 | 0 | 0 | 0 | 110.3 | H829 L830 | P827-H829 PolarHBondContact O-N 3.04Å; P827-H829 VanDerWaalsContact O-N 3.08Å; P827-L830 HydrophobicContact CB-CD1 4.33Å; P827-L830 HydrophobicContact CG-CD1 4.14Å; P827-L830 PolarHBondContact O-N 3.46Å | ||
| 828 | S | 50.6 | Low | 52.9 | Low | 72 Ų | 72 | 102.5 Ų | 102.5 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -33.2 | 176.4 | 40.9 | 0 | 0 | 0 | 0 | 112.6 | V826 L830 | V826-S828 PolarHBondContact O-N 3.13Å; V826-S828 VanDerWaalsContact O-N 3.15Å; S828-L830 PolarHBondContact O-N 3.33Å |
| 829 | H | 48.3 | Very low | 53 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 9.2 | -171.1 | -57.4 | -61.7 | 0 | 0 | 0 | 116 | P827 F831 D832 | P827-H829 PolarHBondContact O-N 3.04Å; P827-H829 VanDerWaalsContact O-N 3.08Å; H829-F831 PolarHBondContact O-N 3.31Å; H829-D832 IonicContact CE1-OD2 3.29Å; H829-D832 IonicContact CG-OD2 2.64Å; H829-D832 IonicContact ND1-OD2 2.63Å; H829-D832 PolarHBondContact ND1-OD2 3.03Å; H829-D832 PolarHBondContact O-N 3.33Å |
| 830 | L | 39.7 | Very low | 53.1 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60 | -35 | 176.3 | -91.3 | 151.6 | 0 | 0 | 0 | 112 | V826 P827 S828 | V826-L830 HydrophobicContact CG1-CD1 3.89Å; P827-L830 HydrophobicContact CB-CD1 4.33Å; P827-L830 HydrophobicContact CG-CD1 4.14Å; P827-L830 PolarHBondContact O-N 3.46Å; S828-L830 PolarHBondContact O-N 3.33Å |
| 831 | F | 39.7 | Very low | 53.6 | Low | 157 Ų | 157 | 101.3 Ų | 101.3 | 69% | 0.689 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -89.4 | -26.8 | -180 | -73.9 | -79.1 | 0 | 0 | 0 | 114.4 | H829 K833 H834 L835 | H829-F831 PolarHBondContact O-N 3.31Å; F831-K833 PolarHBondContact O-N 3.06Å; F831-H834 PolarHBondContact O-N 3.44Å; F831-L835 WeakPolarHBondContact O-CB 3.48Å; F831-L835 PolarHBondContact O-N 2.9Å |
| 832 | D | 44.2 | Very low | 54.2 | Low | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58 | -37.2 | 177.2 | -81.1 | -22.7 | 0 | 0 | 0 | 112 | H829 H834 M836 | H829-D832 IonicContact CE1-OD2 3.29Å; H829-D832 IonicContact CG-OD2 2.64Å; H829-D832 IonicContact ND1-OD2 2.63Å; H829-D832 PolarHBondContact ND1-OD2 3.03Å; H829-D832 PolarHBondContact O-N 3.33Å; D832-H834 VanDerWaalsContact C-N 3.34Å; D832-H834 PolarHBondContact O-N 2.81Å; D832-M836 WeakPolarHBondContact O-CB 3.37Å; D832-M836 PolarHBondContact O-N 2.85Å |
| 833 | K | 46.1 | Very low | 54.7 | Low | 162 Ų | 162 | 108.8 Ų | 108.8 | 70% | 0.704 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | 178.1 | -139.3 | 178.9 | -173.8 | -176.5 | 0 | 111.8 | F831 N837 | F831-K833 PolarHBondContact O-N 3.06Å; K833-N837 PolarHBondContact O-N 2.9Å; K833-N837 PolarHBondContact O-OD1 3.05Å |
| 834 | H | 47.9 | Very low | 55.5 | Low | 101 Ų | 101 | 109.1 Ų | 109.1 | 47% | 0.468 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.6 | -36 | 179.6 | -162.6 | 43.5 | 0 | 0 | 0 | 112.1 | F831 D832 N837 R838 | F831-H834 PolarHBondContact O-N 3.44Å; D832-H834 VanDerWaalsContact C-N 3.34Å; D832-H834 PolarHBondContact O-N 2.81Å; H834-N837 PolarHBondContact O-N 3.44Å; H834-R838 PolarHBondContact O-N 3.05Å |
| 835 | L | 48.9 | Very low | 55.9 | Low | 88 Ų | 88 | 110.2 Ų | 110.2 | 46% | 0.461 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 173 | -86.8 | 159.2 | 0 | 0 | 0 | 111.6 | F831 N837 R838 F839 | F831-L835 WeakPolarHBondContact O-CB 3.48Å; F831-L835 PolarHBondContact O-N 2.9Å; L835-N837 VanDerWaalsContact C-N 3.32Å; L835-N837 PolarHBondContact O-N 3.47Å; L835-R838 PolarHBondContact O-N 2.86Å; L835-F839 HydrophobicContact CD2-CE2 4.22Å; L835-F839 WeakPolarHBondContact O-CD2 3.38Å; L835-F839 PolarHBondContact O-N 3.07Å |
| 836 | M | 50.8 | Low | 56.6 | Low | 120 Ų | 120 | 107.5 Ų | 107.5 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | 174.3 | -90.6 | -67.5 | -179.5 | 0 | 0 | 112.1 | D832 R838 F839 Q840 | D832-M836 WeakPolarHBondContact O-CB 3.37Å; D832-M836 PolarHBondContact O-N 2.85Å; M836-R838 VanDerWaalsContact C-N 3.35Å; M836-R838 PolarHBondContact O-N 2.96Å; M836-F839 PolarHBondContact O-N 3.27Å; M836-Q840 WeakPolarHBondContact O-CG 3.48Å; M836-Q840 PolarHBondContact O-N 3.21Å |
| 837 | N | 61.8 | Low | 57 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -43 | 175 | -69.9 | 0.3 | 0 | 0 | 0 | 111.5 | K833 H834 L835 Q840 E841 | K833-N837 PolarHBondContact O-N 2.9Å; K833-N837 PolarHBondContact O-OD1 3.05Å; H834-N837 PolarHBondContact O-N 3.44Å; L835-N837 VanDerWaalsContact C-N 3.32Å; L835-N837 PolarHBondContact O-N 3.47Å; N837-Q840 PolarHBondContact O-N 3.2Å; N837-E841 WeakPolarHBondContact O-CG 3.43Å; N837-E841 PolarHBondContact O-N 3.45Å |
| 838 | R | 57 | Low | 57.4 | Low | 147 Ų | 147 | 111 Ų | 111 | 56% | 0.555 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 175.8 | -81 | -167.1 | -175.3 | -167.8 | 0.8 | 113.1 | H834 L835 M836 Q840 E841 I842 | H834-R838 PolarHBondContact O-N 3.05Å; L835-R838 PolarHBondContact O-N 2.86Å; M836-R838 VanDerWaalsContact C-N 3.35Å; M836-R838 PolarHBondContact O-N 2.96Å; R838-Q840 VanDerWaalsContact C-N 3.31Å; R838-E841 PolarHBondContact O-N 3.08Å; R838-I842 VanDerWaalsContact O-CG1 3.29Å; R838-I842 WeakPolarHBondContact O-CG1 3.47Å; R838-I842 PolarHBondContact O-N 2.87Å |
| 839 | F | 69.2 | Low | 57 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 54% | 0.535 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -42.1 | 175.1 | -83.6 | -64.7 | 0 | 0 | 0 | 110.9 | L835 M836 I842 E843 | L835-F839 HydrophobicContact CD2-CE2 4.22Å; L835-F839 WeakPolarHBondContact O-CD2 3.38Å; L835-F839 PolarHBondContact O-N 3.07Å; M836-F839 PolarHBondContact O-N 3.27Å; F839-I842 PolarHBondContact O-N 3.34Å; F839-E843 WeakPolarHBondContact O-CG 3.49Å; F839-E843 PolarHBondContact O-N 3.27Å |
| 840 | Q | 69.7 | Low | 57.4 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 51% | 0.514 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -41.6 | 173.4 | -74.2 | 177.6 | -11.6 | 0 | 0 | 112.3 | M836 N837 R838 I842 E843 V844 | M836-Q840 WeakPolarHBondContact O-CG 3.48Å; M836-Q840 PolarHBondContact O-N 3.21Å; N837-Q840 PolarHBondContact O-N 3.2Å; R838-Q840 VanDerWaalsContact C-N 3.31Å; Q840-I842 VanDerWaalsContact C-N 3.33Å; Q840-I842 PolarHBondContact O-N 3.04Å; Q840-E843 PolarHBondContact O-N 3.29Å; Q840-V844 VanDerWaalsContact O-CG2 3.25Å; Q840-V844 WeakPolarHBondContact O-CG2 3.47Å; Q840-V844 PolarHBondContact O-N 3.09Å |
| 841 | E | 72.6 | Confident | 58.4 | Low | 117 Ų | 117 | 119 Ų | 119 | 55% | 0.547 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -38.2 | 175.7 | -75 | 170 | -173.7 | 0 | 0 | 112.4 | N837 R838 N845 | N837-E841 WeakPolarHBondContact O-CG 3.43Å; N837-E841 PolarHBondContact O-N 3.45Å; R838-E841 PolarHBondContact O-N 3.08Å; E841-N845 WeakPolarHBondContact O-CB 3.33Å; E841-N845 PolarHBondContact O-N 3.17Å; E841-N845 PolarHBondContact O-ND2 3.3Å |
| 842 | I | 75.9 | Confident | 59.4 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 55% | 0.549 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.3 | -41.8 | 177 | -66.5 | 165.1 | 0 | 0 | 0 | 111.1 | R838 F839 Q840 V844 N845 S846 | R838-I842 VanDerWaalsContact O-CG1 3.29Å; R838-I842 WeakPolarHBondContact O-CG1 3.47Å; R838-I842 PolarHBondContact O-N 2.87Å; F839-I842 PolarHBondContact O-N 3.34Å; Q840-I842 VanDerWaalsContact C-N 3.33Å; Q840-I842 PolarHBondContact O-N 3.04Å; I842-V844 VanDerWaalsContact C-N 3.34Å; I842-N845 PolarHBondContact O-N 3.21Å; I842-S846 WeakPolarHBondContact O-CB 3.33Å; I842-S846 PolarHBondContact O-N 3.44Å; I842-S846 PolarHBondContact O-OG 3.04Å |
| 843 | E | 73 | Confident | 60.3 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -40.9 | 173.9 | -75.9 | -177.7 | 174.2 | 0 | 0 | 112.1 | F839 Q840 S846 G847 | F839-E843 WeakPolarHBondContact O-CG 3.49Å; F839-E843 PolarHBondContact O-N 3.27Å; Q840-E843 PolarHBondContact O-N 3.29Å; E843-S846 WeakPolarHBondContact CA-OG 3.46Å; E843-S846 PolarHBondContact O-OG 3.15Å; E843-G847 PolarHBondContact O-N 3.36Å |
| 844 | V | 74.1 | Confident | 61.2 | Low | 91 Ų | 91 | 115.9 Ų | 115.9 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.7 | -46.4 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | Q840 I842 S846 G847 | Q840-V844 VanDerWaalsContact O-CG2 3.25Å; Q840-V844 WeakPolarHBondContact O-CG2 3.47Å; Q840-V844 PolarHBondContact O-N 3.09Å; I842-V844 VanDerWaalsContact C-N 3.34Å; V844-S846 VanDerWaalsContact C-N 3.32Å; V844-S846 PolarHBondContact O-N 2.93Å; V844-G847 PolarHBondContact O-N 3.31Å |
| 845 | N | 61.9 | Low | 62.1 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -26.3 | -178.5 | -76.3 | -19.5 | 0 | 0 | 0 | 113.5 | E841 I842 | E841-N845 WeakPolarHBondContact O-CB 3.33Å; E841-N845 PolarHBondContact O-N 3.17Å; E841-N845 PolarHBondContact O-ND2 3.3Å; I842-N845 PolarHBondContact O-N 3.21Å |
| 846 | S | 64.2 | Low | 63 | Low | 72 Ų | 72 | 119 Ų | 119 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81.6 | -16.9 | 174.6 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | I842 E843 V844 | I842-S846 WeakPolarHBondContact O-CB 3.33Å; I842-S846 PolarHBondContact O-N 3.44Å; I842-S846 PolarHBondContact O-OG 3.04Å; E843-S846 WeakPolarHBondContact CA-OG 3.46Å; E843-S846 PolarHBondContact O-OG 3.15Å; V844-S846 VanDerWaalsContact C-N 3.32Å; V844-S846 PolarHBondContact O-N 2.93Å |
| 847 | G | 57.6 | Low | 63.9 | Low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -81.2 | -13 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E843 V844 | E843-G847 PolarHBondContact O-N 3.36Å; V844-G847 PolarHBondContact O-N 3.31Å |
| 848 | E | 52.5 | Low | 64.1 | Low | 164 Ų | 164 | 122.5 Ų | 122.5 | 77% | 0.766 | 62% | 0.623 | S | S | * | * | trans | -102.7 | 4.3 | 177.5 | -70 | -169.7 | 164.3 | 0 | 0 | 114 | ||||
| 849 | Q | 42 | Very low | 64.8 | Low | 234 Ų | 234 | 120.3 Ų | 120.3 | 100% | 1.093 | 63% | 0.629 | S | S | * | * | trans | -105.7 | 0 | 167.1 | -68.6 | -173 | -4.9 | 0 | 0 | 110.4 |
Retrieved 849 of 849 residues in 773.4 ms
(Link to these results)