| 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 | K | 87.9 | Confident | 90.8 | Very high | 174 Ų | 174 | 69.5 Ų | 69.5 | 76% | 0.757 | 36% | 0.357 | S | S | * | . | 0 | -61.6 | 0 | -61.4 | -171.5 | -177.1 | -179.2 | 0 | 112.7 | A3 L4 I5 N41 | K1-A3 PolarHBondContact O-N 3.25Å; K1-L4 WeakPolarHBondContact O-CB 3.26Å; K1-L4 PolarHBondContact O-N 3.26Å; K1-I5 PolarHBondContact O-N 3.2Å; K1-I5 VanDerWaalsContact O-N 3.13Å; K1-N41 WeakPolarHBondContact CD-OD1 3.49Å | |||
| 2 | I | 87.7 | Confident | 91 | Very high | 25 Ų | 25 | 78.9 Ų | 78.9 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | -177.7 | -66.1 | 159.2 | 0 | 0 | 0 | 113.1 | L4 I5 R6 L42 L63 F168 | I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.43Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3.18Å; I2-I5 VanDerWaalsContact O-N 3.15Å; I2-R6 WeakPolarHBondContact O-CB 3.11Å; I2-R6 PolarHBondContact O-N 2.86Å; I2-L42 HydrophobicContact CD1-CD1 3.98Å; I2-L42 HydrophobicContact CD1-CD2 3.25Å; I2-L42 HydrophobicContact CD1-CG 3.51Å; I2-L63 HydrophobicContact CG2-CD2 4.4Å; I2-F168 HydrophobicContact CD1-CD1 4.5Å; I2-F168 HydrophobicContact CD1-CE1 3.79Å |
| 3 | A | 88.1 | Confident | 91 | Very high | 49 Ų | 49 | 74 Ų | 74 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.7 | -46.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1 I5 R6 E7 | K1-A3 PolarHBondContact O-N 3.25Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 2.92Å; A3-R6 PolarHBondContact O-N 3.38Å; A3-R6 VanDerWaalsContact O-N 3.12Å; A3-E7 WeakPolarHBondContact O-CB 3.35Å; A3-E7 WeakPolarHBondContact O-CG 3.49Å; A3-E7 PolarHBondContact O-N 3.04Å |
| 4 | L | 90.6 | Very high | 91 | Very high | 108 Ų | 108 | 69.6 Ų | 69.6 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 175.8 | -62.8 | 174.2 | 0 | 0 | 0 | 112.6 | K1 I2 R6 N8 L9 | K1-L4 WeakPolarHBondContact O-CB 3.26Å; K1-L4 PolarHBondContact O-N 3.26Å; I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.43Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-N8 WeakPolarHBondContact O-CA 3.44Å; L4-N8 WeakPolarHBondContact O-CB 3.29Å; L4-N8 PolarHBondContact O-N 3.41Å; L4-L9 PolarHBondContact O-N 3.44Å; L4-L9 VanDerWaalsContact O-N 3.16Å |
| 5 | I | 92.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 75.3 Ų | 75.3 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -61 | -46.4 | 175.6 | -67.1 | 171.9 | 0 | 0 | 0 | 110 | K1 I2 A3 L9 I10 I34 T37 V38 | K1-I5 PolarHBondContact O-N 3.2Å; K1-I5 VanDerWaalsContact O-N 3.13Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3.18Å; I2-I5 VanDerWaalsContact O-N 3.15Å; A3-I5 VanDerWaalsContact C-N 3.34Å; A3-I5 PolarHBondContact O-N 2.92Å; I5-L9 HydrophobicContact CG1-CD2 4.44Å; I5-L9 HydrophobicContact CG2-CD2 4.4Å; I5-L9 PolarHBondContact O-N 3.36Å; I5-I10 HydrophobicContact CG2-CD1 4.08Å; I5-I10 HydrophobicContact CG2-CG1 4.16Å; I5-I10 WeakPolarHBondContact O-CB 3.3Å; I5-I10 VanDerWaalsContact O-CG1 3.32Å; I5-I10 WeakPolarHBondContact O-CG1 3.46Å; I5-I10 PolarHBondContact O-N 3.45Å; I5-I34 HydrophobicContact CG2-CG2 3.92Å; I5-T37 HydrophobicContact CD1-CG2 4.15Å; I5-V38 HydrophobicContact CD1-CG2 3.89Å; I5-V38 HydrophobicContact CG2-CG2 4.45Å |
| 6 | R | 90.1 | Very high | 90.8 | Very high | 69 Ų | 69 | 78.6 Ų | 78.6 | 26% | 0.26 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -70.1 | -43.9 | -175.7 | -168.6 | -179.4 | -152.9 | 176.9 | 2 | 113.5 | I2 A3 L4 P11 T58 L63 G64 L65 | I2-R6 WeakPolarHBondContact O-CB 3.11Å; I2-R6 PolarHBondContact O-N 2.86Å; A3-R6 PolarHBondContact O-N 3.38Å; A3-R6 VanDerWaalsContact O-N 3.12Å; L4-R6 VanDerWaalsContact C-N 3.33Å; R6-P11 WeakPolarHBondContact O-CD 3.41Å; R6-T58 PolarHBondContact NH2-OG1 3.31Å; R6-L63 PolarHBondContact NH1-O 3.01Å; R6-L63 PolarHBondContact NH2-O 3.17Å; R6-G64 PolarHBondContact NE-O 3.05Å; R6-G64 VanDerWaalsContact NH2-CA 3.27Å; R6-G64 PolarHBondContact NH2-O 3.15Å; R6-L65 HydrophobicContact CB-CD2 4.11Å; R6-L65 HydrophobicContact CG-CD2 4.17Å |
| 7 | E | 90.7 | Very high | 90.6 | Very high | 96 Ų | 96 | 74.8 Ų | 74.8 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -92 | -29.3 | -169.6 | -64.3 | 172.7 | 170.9 | 0 | 0 | 112.2 | A3 P11 R161 | A3-E7 WeakPolarHBondContact O-CB 3.35Å; A3-E7 WeakPolarHBondContact O-CG 3.49Å; A3-E7 PolarHBondContact O-N 3.04Å; E7-P11 WeakPolarHBondContact O-CG 3.39Å; E7-R161 IonicContact OE1-NH2 3.58Å; E7-R161 PolarHBondContact OE1-NH2 2.82Å; E7-R161 VanDerWaalsContact OE1-NH2 3.1Å |
| 8 | N | 92.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -115.8 | -50.8 | -175.2 | -61.5 | -61.2 | 0 | 0 | 0 | 113.6 | L4 R12 | L4-N8 WeakPolarHBondContact O-CA 3.44Å; L4-N8 WeakPolarHBondContact O-CB 3.29Å; L4-N8 PolarHBondContact O-N 3.41Å; N8-R12 WeakPolarHBondContact O-CG 3.43Å |
| 9 | L | 93.3 | Very high | 89.7 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -71.7 | -53.1 | -173.2 | -175.2 | 66.5 | 0 | 0 | 0 | 111.8 | L4 I5 R12 C13 I34 | L4-L9 PolarHBondContact O-N 3.44Å; L4-L9 VanDerWaalsContact O-N 3.16Å; I5-L9 HydrophobicContact CG1-CD2 4.44Å; I5-L9 HydrophobicContact CG2-CD2 4.4Å; I5-L9 PolarHBondContact O-N 3.36Å; L9-R12 WeakPolarHBondContact O-CB 3.08Å; L9-R12 PolarHBondContact O-N 3.4Å; L9-C13 PolarHBondContact O-N 3.36Å; L9-C13 PolarHBondContact O-SG 3.18Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; L9-I34 HydrophobicContact CD2-CG1 4.43Å |
| 10 | I | 93.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.5 | -47.3 | -176.4 | -77.7 | 178.2 | 0 | 0 | 0 | 112.2 | I5 R12 C13 I14 I34 L65 P66 L68 | I5-I10 HydrophobicContact CG2-CD1 4.08Å; I5-I10 HydrophobicContact CG2-CG1 4.16Å; I5-I10 WeakPolarHBondContact O-CB 3.3Å; I5-I10 VanDerWaalsContact O-CG1 3.32Å; I5-I10 WeakPolarHBondContact O-CG1 3.46Å; I5-I10 PolarHBondContact O-N 3.45Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.15Å; I10-C13 PolarHBondContact O-N 3.33Å; I10-I14 HydrophobicContact CG2-CD1 3.61Å; I10-I14 HydrophobicContact CG2-CG1 4.33Å; I10-I14 VanDerWaalsContact O-CG1 3.28Å; I10-I14 WeakPolarHBondContact O-CG1 3.16Å; I10-I14 PolarHBondContact O-N 2.84Å; I10-I34 HydrophobicContact CG1-CD1 4.29Å; I10-L65 HydrophobicContact CD1-CB 4.22Å; I10-L65 HydrophobicContact CD1-CD2 3.84Å; I10-P66 HydrophobicContact CD1-CG 4.47Å; I10-P66 HydrophobicContact CG2-CG 3.39Å; I10-L68 HydrophobicContact CG2-CD2 4.37Å |
| 11 | P | 92.8 | Very high | 88 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 177.2 | -29.2 | 39 | 0 | 0 | 0 | 113.4 | R6 E7 I14 Y15 | R6-P11 WeakPolarHBondContact O-CD 3.41Å; E7-P11 WeakPolarHBondContact O-CG 3.39Å; P11-I14 PolarHBondContact O-N 3.07Å; P11-Y15 PolarHBondContact O-N 2.91Å |
| 12 | R | 92.6 | Very high | 86.9 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 69% | 0.687 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 175.3 | -72.4 | 179.2 | 176.7 | -164.1 | -0.6 | 111.6 | N8 L9 I10 I14 Y15 Q16 | N8-R12 WeakPolarHBondContact O-CG 3.43Å; L9-R12 WeakPolarHBondContact O-CB 3.08Å; L9-R12 PolarHBondContact O-N 3.4Å; I10-R12 VanDerWaalsContact C-N 3.31Å; I10-R12 PolarHBondContact O-N 3.15Å; R12-I14 PolarHBondContact O-N 2.94Å; R12-Y15 PolarHBondContact O-N 3.09Å; R12-Q16 PolarHBondContact O-N 2.99Å |
| 13 | C | 91.3 | Very high | 85.9 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 176 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | L9 I10 Y15 Q16 L17 L68 | L9-C13 PolarHBondContact O-N 3.36Å; L9-C13 PolarHBondContact O-SG 3.18Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; I10-C13 PolarHBondContact O-N 3.33Å; C13-Y15 VanDerWaalsContact C-N 3.31Å; C13-Y15 PolarHBondContact O-N 3.26Å; C13-Q16 PolarHBondContact O-N 2.64Å; C13-L17 HydrophobicContact CB-CD1 4.36Å; C13-L17 WeakPolarHBondContact O-CB 3.47Å; C13-L17 WeakPolarHBondContact O-CD1 3.38Å; C13-L17 WeakPolarHBondContact O-CG 3.38Å; C13-L17 PolarHBondContact O-N 3.47Å; C13-L68 HydrophobicContact CB-CD1 4.17Å; C13-L68 HydrophobicContact CB-CD2 4.29Å |
| 14 | I | 90.5 | Very high | 85.1 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 178.2 | -69.8 | 165.1 | 0 | 0 | 0 | 110.7 | I10 P11 R12 S18 P66 L68 V71 K75 | I10-I14 HydrophobicContact CG2-CD1 3.61Å; I10-I14 HydrophobicContact CG2-CG1 4.33Å; I10-I14 VanDerWaalsContact O-CG1 3.28Å; I10-I14 WeakPolarHBondContact O-CG1 3.16Å; I10-I14 PolarHBondContact O-N 2.84Å; P11-I14 PolarHBondContact O-N 3.07Å; R12-I14 PolarHBondContact O-N 2.94Å; I14-S18 WeakPolarHBondContact O-CB 3.46Å; I14-S18 PolarHBondContact O-N 2.77Å; I14-S18 PolarHBondContact O-OG 3.01Å; I14-P66 HydrophobicContact CD1-CG 4.13Å; I14-L68 HydrophobicContact CD1-CD2 4.31Å; I14-L68 HydrophobicContact CG1-CD2 3.61Å; I14-V71 HydrophobicContact CD1-CG1 3.93Å; I14-V71 HydrophobicContact CG1-CG1 4.18Å; I14-V71 HydrophobicContact CG2-CG1 3.99Å; I14-K75 HydrophobicContact CG2-CD 3.63Å |
| 15 | Y | 89.4 | Confident | 84.8 | Confident | 155 Ų | 155 | 72.2 Ų | 72.2 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.8 | -54.9 | 177.2 | 179 | -96.5 | 0 | 0 | 0 | 110.7 | P11 R12 C13 L17 S18 H19 | P11-Y15 PolarHBondContact O-N 2.91Å; R12-Y15 PolarHBondContact O-N 3.09Å; C13-Y15 VanDerWaalsContact C-N 3.31Å; C13-Y15 PolarHBondContact O-N 3.26Å; Y15-L17 PolarHBondContact O-N 3.3Å; Y15-S18 PolarHBondContact O-N 2.97Å; Y15-S18 PolarHBondContact O-OG 3.33Å; Y15-H19 AromaticContact CD2-CE1 3.75Å; Y15-H19 AromaticContact CE2-CE1 3.45Å; Y15-H19 VanDerWaalsContact CE2-CE1 3.45Å; Y15-H19 WeakPolarHBondContact CE2-CE1 3.35Å; Y15-H19 AromaticContact CZ-CE1 3.6Å; Y15-H19 PolarHBondContact O-CE1 3.43Å; Y15-H19 PolarHBondContact O-ND1 3.08Å |
| 16 | Q | 89.2 | Confident | 84.6 | Confident | 127 Ų | 127 | 74.5 Ų | 74.5 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.2 | -48.9 | -179.3 | -69 | 175.6 | -30.7 | 0 | 0 | 112 | R12 C13 S18 H19 L20 | R12-Q16 PolarHBondContact O-N 2.99Å; C13-Q16 PolarHBondContact O-N 2.64Å; Q16-S18 VanDerWaalsContact C-N 3.27Å; Q16-S18 PolarHBondContact O-N 3.32Å; Q16-H19 PolarHBondContact O-N 3Å; Q16-L20 WeakPolarHBondContact O-CG 3.29Å; Q16-L20 PolarHBondContact O-N 3.11Å |
| 17 | L | 88.6 | Confident | 84.6 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.3 | -25.1 | -178.5 | -68 | 168 | 0 | 0 | 0 | 113.5 | C13 Y15 H19 L20 L26 A27 L68 T72 | C13-L17 HydrophobicContact CB-CD1 4.36Å; C13-L17 WeakPolarHBondContact O-CB 3.47Å; C13-L17 WeakPolarHBondContact O-CD1 3.38Å; C13-L17 WeakPolarHBondContact O-CG 3.38Å; C13-L17 PolarHBondContact O-N 3.47Å; Y15-L17 PolarHBondContact O-N 3.3Å; L17-H19 VanDerWaalsContact C-N 3.27Å; L17-H19 PolarHBondContact O-N 3.42Å; L17-L20 HydrophobicContact CD2-CD1 4.21Å; L17-L20 PolarHBondContact O-N 3.04Å; L17-L26 HydrophobicContact CD2-CB 4.46Å; L17-L26 HydrophobicContact CD2-CD2 3.89Å; L17-L26 HydrophobicContact CD2-CG 3.99Å; L17-A27 HydrophobicContact CD1-CB 4.14Å; L17-A27 HydrophobicContact CD2-CB 4.25Å; L17-L68 HydrophobicContact CD1-CB 4.22Å; L17-L68 HydrophobicContact CD1-CD1 3.96Å; L17-T72 HydrophobicContact CB-CG2 3.42Å; L17-T72 VanDerWaalsContact CB-CG2 3.42Å; L17-T72 HydrophobicContact CD1-CG2 4.17Å; L17-T72 HydrophobicContact CG-CG2 4.45Å |
| 18 | S | 83.7 | Confident | 84.5 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.5 | -21.6 | 177.9 | 66 | 0 | 0 | 0 | 0 | 114 | I14 Y15 Q16 T76 | I14-S18 WeakPolarHBondContact O-CB 3.46Å; I14-S18 PolarHBondContact O-N 2.77Å; I14-S18 PolarHBondContact O-OG 3.01Å; Y15-S18 PolarHBondContact O-N 2.97Å; Y15-S18 PolarHBondContact O-OG 3.33Å; Q16-S18 VanDerWaalsContact C-N 3.27Å; Q16-S18 PolarHBondContact O-N 3.32Å; S18-T76 PolarHBondContact O-OG1 2.83Å |
| 19 | H | 80.4 | Confident | 84.5 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 61% | 0.606 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -93.7 | -18.5 | 176.2 | -60 | 92 | 0 | 0 | 0 | 112.7 | Y15 Q16 L17 | Y15-H19 AromaticContact CD2-CE1 3.75Å; Y15-H19 AromaticContact CE2-CE1 3.45Å; Y15-H19 VanDerWaalsContact CE2-CE1 3.45Å; Y15-H19 WeakPolarHBondContact CE2-CE1 3.35Å; Y15-H19 AromaticContact CZ-CE1 3.6Å; Y15-H19 PolarHBondContact O-CE1 3.43Å; Y15-H19 PolarHBondContact O-ND1 3.08Å; Q16-H19 PolarHBondContact O-N 3Å; L17-H19 VanDerWaalsContact C-N 3.27Å; L17-H19 PolarHBondContact O-N 3.42Å |
| 20 | L | 73.3 | Confident | 84.4 | Confident | 82 Ų | 82 | 68 Ų | 68 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -77.8 | 163.9 | 175.2 | -65.9 | 174.6 | 0 | 0 | 0 | 111 | Q16 L17 L26 | Q16-L20 WeakPolarHBondContact O-CG 3.29Å; Q16-L20 PolarHBondContact O-N 3.11Å; L17-L20 HydrophobicContact CD2-CD1 4.21Å; L17-L20 PolarHBondContact O-N 3.04Å; L20-L26 HydrophobicContact CD1-CD2 3.71Å |
| 21 | S | 71 | Confident | 84.4 | Confident | 78 Ų | 78 | 68 Ų | 68 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | trans | -54.2 | 123.7 | 178.7 | 178 | 0 | 0 | 0 | 0 | 110.7 | Q23 S24 | S21-Q23 PolarHBondContact O-N 3Å; S21-S24 VanDerWaalsContact O-CB 3.27Å; S21-S24 WeakPolarHBondContact O-CB 3.21Å; S21-S24 PolarHBondContact O-N 3.4Å | ||
| 22 | P | 63.9 | Low | 84.3 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.9 | -175.5 | 20.5 | -30.3 | 0 | 0 | 0 | 114 | S24 T76 A103 L107 | P22-S24 VanDerWaalsContact C-N 3.31Å; P22-T76 HydrophobicContact CB-CG2 4.07Å; P22-T76 HydrophobicContact CG-CG2 4.1Å; P22-A103 HydrophobicContact CG-CB 4.3Å; P22-L107 HydrophobicContact CB-CD1 3.73Å; P22-L107 HydrophobicContact CB-CD2 3.85Å; P22-L107 HydrophobicContact CB-CG 4.05Å; P22-L107 HydrophobicContact CG-CD1 3.98Å; P22-L107 HydrophobicContact CG-CG 4.43Å |
| 23 | Q | 66.4 | Low | 84.3 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.8 | 179.2 | -61.3 | 179.6 | 2.2 | 0 | 0 | 112.8 | S21 T25 | S21-Q23 PolarHBondContact O-N 3Å; Q23-T25 PolarHBondContact O-N 3.36Å |
| 24 | S | 70.7 | Confident | 84.4 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | trans | -66.7 | 132.1 | -176.2 | -176 | 0 | 0 | 0 | 0 | 112.4 | S21 P22 L26 | S21-S24 VanDerWaalsContact O-CB 3.27Å; S21-S24 WeakPolarHBondContact O-CB 3.21Å; S21-S24 PolarHBondContact O-N 3.4Å; P22-S24 VanDerWaalsContact C-N 3.31Å; S24-L26 PolarHBondContact O-N 3.49Å; S24-L26 WeakPolarHBondContact OG-CB 3.45Å; S24-L26 PolarHBondContact OG-N 3.31Å; S24-L26 VanDerWaalsContact OG-N 3.11Å | ||
| 25 | T | 84.3 | Confident | 84.4 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.6 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | Q23 A27 S28 Q29 | Q23-T25 PolarHBondContact O-N 3.36Å; T25-A27 VanDerWaalsContact C-N 3.29Å; T25-A27 PolarHBondContact O-N 3.02Å; T25-S28 WeakPolarHBondContact O-CA 3.38Å; T25-S28 WeakPolarHBondContact O-CB 3.43Å; T25-S28 PolarHBondContact O-N 3.37Å; T25-Q29 PolarHBondContact O-N 2.71Å |
| 26 | L | 89.4 | Confident | 84.5 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.3 | -42.1 | 179.9 | -176.5 | 66 | 0 | 0 | 0 | 112.2 | L17 L20 S24 S28 Q29 V30 | L17-L26 HydrophobicContact CD2-CB 4.46Å; L17-L26 HydrophobicContact CD2-CD2 3.89Å; L17-L26 HydrophobicContact CD2-CG 3.99Å; L20-L26 HydrophobicContact CD1-CD2 3.71Å; S24-L26 PolarHBondContact O-N 3.49Å; S24-L26 WeakPolarHBondContact OG-CB 3.45Å; S24-L26 PolarHBondContact OG-N 3.31Å; S24-L26 VanDerWaalsContact OG-N 3.11Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.07Å; L26-Q29 PolarHBondContact O-N 2.94Å; L26-V30 HydrophobicContact CD1-CG2 4.11Å; L26-V30 HydrophobicContact CG-CG2 4.24Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.43Å |
| 27 | A | 89.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L17 T25 D31 I69 | L17-A27 HydrophobicContact CD1-CB 4.14Å; L17-A27 HydrophobicContact CD2-CB 4.25Å; T25-A27 VanDerWaalsContact C-N 3.29Å; T25-A27 PolarHBondContact O-N 3.02Å; A27-D31 VanDerWaalsContact O-CB 3.22Å; A27-D31 WeakPolarHBondContact O-CB 3.33Å; A27-D31 PolarHBondContact O-N 3.49Å; A27-I69 HydrophobicContact CB-CB 4.45Å |
| 28 | S | 89.2 | Confident | 84.9 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 32% | 0.315 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | T25 L26 D31 Q32 I69 | T25-S28 WeakPolarHBondContact O-CA 3.38Å; T25-S28 WeakPolarHBondContact O-CB 3.43Å; T25-S28 PolarHBondContact O-N 3.37Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.07Å; S28-D31 PolarHBondContact O-N 3.31Å; S28-Q32 WeakPolarHBondContact O-CB 3.34Å; S28-Q32 PolarHBondContact O-N 3.43Å; S28-I69 WeakPolarHBondContact OG-CD1 3.47Å |
| 29 | Q | 92 | Very high | 85.2 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 178.2 | -69.6 | 174.8 | -6.8 | 0 | 0 | 111.2 | T25 L26 D31 Q32 I33 | T25-Q29 PolarHBondContact O-N 2.71Å; L26-Q29 PolarHBondContact O-N 2.94Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; Q29-D31 PolarHBondContact O-N 2.92Å; Q29-Q32 WeakPolarHBondContact O-CB 3.4Å; Q29-Q32 PolarHBondContact O-N 2.96Å; Q29-I33 WeakPolarHBondContact O-CG1 3.45Å; Q29-I33 PolarHBondContact O-N 2.85Å |
| 30 | V | 92.1 | Very high | 85.8 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | L26 Q32 I33 I34 L68 | L26-V30 HydrophobicContact CD1-CG2 4.11Å; L26-V30 HydrophobicContact CG-CG2 4.24Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.43Å; V30-Q32 VanDerWaalsContact C-N 3.31Å; V30-Q32 PolarHBondContact O-N 3.07Å; V30-I33 PolarHBondContact O-N 2.94Å; V30-I34 HydrophobicContact CG1-CD1 3.98Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.35Å; V30-L68 HydrophobicContact CB-CD1 4.1Å; V30-L68 HydrophobicContact CG1-CD1 3.56Å |
| 31 | D | 91.6 | Very high | 86.6 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 176.3 | -162.1 | 88 | 0 | 0 | 0 | 111.3 | A27 S28 Q29 I34 R35 H55 L68 | A27-D31 VanDerWaalsContact O-CB 3.22Å; A27-D31 WeakPolarHBondContact O-CB 3.33Å; A27-D31 PolarHBondContact O-N 3.49Å; S28-D31 PolarHBondContact O-N 3.31Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; Q29-D31 PolarHBondContact O-N 2.92Å; D31-I34 PolarHBondContact O-N 2.85Å; D31-R35 WeakPolarHBondContact O-CB 3.4Å; D31-R35 VanDerWaalsContact O-CG 3.25Å; D31-R35 WeakPolarHBondContact O-CG 3.28Å; D31-R35 PolarHBondContact O-N 3.2Å; D31-R35 IonicContact OD2-CZ 2.85Å; D31-R35 IonicContact OD2-NE 2.62Å; D31-R35 IonicContact OD2-NH1 3.73Å; D31-R35 PolarHBondContact OD2-NH1 2.79Å; D31-H55 IonicContact OD1-CE1 3.18Å; D31-H55 IonicContact OD2-CE1 2.7Å; D31-H55 PolarHBondContact OD2-CE1 2.86Å; D31-H55 VanDerWaalsContact OD2-CE1 3.27Å; D31-H55 IonicContact OD2-NE2 3.61Å; D31-H55 PolarHBondContact OD2-NE2 3.21Å; D31-L68 HydrophobicContact CB-CB 4.19Å; D31-L68 HydrophobicContact CB-CD1 4.4Å; D31-L68 HydrophobicContact CB-CG 4.42Å; D31-L68 PolarHBondContact OD1-N 3.44Å |
| 32 | Q | 91.5 | Very high | 87.6 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.6 | 179 | 172.7 | -18.9 | 0 | 0 | 112.7 | S28 Q29 V30 R35 Q36 | S28-Q32 WeakPolarHBondContact O-CB 3.34Å; S28-Q32 PolarHBondContact O-N 3.43Å; Q29-Q32 WeakPolarHBondContact O-CB 3.4Å; Q29-Q32 PolarHBondContact O-N 2.96Å; V30-Q32 VanDerWaalsContact C-N 3.31Å; V30-Q32 PolarHBondContact O-N 3.07Å; Q32-R35 PolarHBondContact O-N 3.15Å; Q32-Q36 WeakPolarHBondContact O-CG 3.47Å; Q32-Q36 PolarHBondContact O-N 3.06Å |
| 33 | I | 92.7 | Very high | 88.9 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 176.6 | -66.3 | 165.7 | 0 | 0 | 0 | 109.9 | Q29 V30 R35 Q36 T37 | Q29-I33 WeakPolarHBondContact O-CG1 3.45Å; Q29-I33 PolarHBondContact O-N 2.85Å; V30-I33 PolarHBondContact O-N 2.94Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-R35 PolarHBondContact O-N 2.76Å; I33-Q36 WeakPolarHBondContact O-CB 3.29Å; I33-Q36 PolarHBondContact O-N 3.22Å; I33-Q36 VanDerWaalsContact O-N 3.12Å; I33-T37 PolarHBondContact O-N 2.86Å; I33-T37 PolarHBondContact O-OG1 3.23Å; I33-T37 VanDerWaalsContact O-OG1 3.05Å |
| 34 | I | 92.4 | Very high | 89.9 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 178.5 | -69.3 | 171.4 | 0 | 0 | 0 | 110.7 | I5 L9 I10 V30 D31 Q36 T37 V38 L68 | I5-I34 HydrophobicContact CG2-CG2 3.92Å; L9-I34 HydrophobicContact CD2-CG1 4.43Å; I10-I34 HydrophobicContact CG1-CD1 4.29Å; V30-I34 HydrophobicContact CG1-CD1 3.98Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.35Å; D31-I34 PolarHBondContact O-N 2.85Å; I34-Q36 VanDerWaalsContact C-N 3.35Å; I34-Q36 PolarHBondContact O-N 3.34Å; I34-T37 PolarHBondContact O-N 3.49Å; I34-V38 HydrophobicContact CG2-CG2 4.31Å; I34-V38 WeakPolarHBondContact O-CB 3.5Å; I34-V38 VanDerWaalsContact O-CG2 3.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.3Å; I34-V38 PolarHBondContact O-N 3.05Å; I34-L68 HydrophobicContact CD1-CD1 3.64Å; I34-L68 HydrophobicContact CD1-CG 4.44Å |
| 35 | R | 91.7 | Very high | 90.4 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 177.3 | -71.2 | -175.4 | -48.1 | -120.9 | 2.5 | 110.7 | D31 Q32 I33 V38 K39 L54 | D31-R35 WeakPolarHBondContact O-CB 3.4Å; D31-R35 VanDerWaalsContact O-CG 3.25Å; D31-R35 WeakPolarHBondContact O-CG 3.28Å; D31-R35 PolarHBondContact O-N 3.2Å; D31-R35 IonicContact OD2-CZ 2.85Å; D31-R35 IonicContact OD2-NE 2.62Å; D31-R35 IonicContact OD2-NH1 3.73Å; D31-R35 PolarHBondContact OD2-NH1 2.79Å; Q32-R35 PolarHBondContact O-N 3.15Å; I33-R35 VanDerWaalsContact C-N 3.31Å; I33-R35 PolarHBondContact O-N 2.76Å; R35-V38 PolarHBondContact O-N 3.1Å; R35-K39 WeakPolarHBondContact O-CG 3.44Å; R35-K39 PolarHBondContact O-N 2.78Å; R35-L54 HydrophobicContact CB-CD1 3.98Å; R35-L54 HydrophobicContact CG-CD1 3.77Å |
| 36 | Q | 91.6 | Very high | 89.7 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 178.1 | -74.3 | 176 | -15.9 | 0 | 0 | 112.1 | Q32 I33 I34 V38 K39 Q40 | Q32-Q36 WeakPolarHBondContact O-CG 3.47Å; Q32-Q36 PolarHBondContact O-N 3.06Å; I33-Q36 WeakPolarHBondContact O-CB 3.29Å; I33-Q36 PolarHBondContact O-N 3.22Å; I33-Q36 VanDerWaalsContact O-N 3.12Å; I34-Q36 VanDerWaalsContact C-N 3.35Å; I34-Q36 PolarHBondContact O-N 3.34Å; Q36-V38 VanDerWaalsContact C-N 3.3Å; Q36-V38 PolarHBondContact O-N 2.88Å; Q36-K39 WeakPolarHBondContact O-CB 3.24Å; Q36-K39 PolarHBondContact O-N 3.15Å; Q36-K39 VanDerWaalsContact O-N 3.13Å; Q36-Q40 WeakPolarHBondContact O-CG 3.47Å; Q36-Q40 PolarHBondContact O-N 3.03Å |
| 37 | T | 92.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | I5 I33 I34 Q40 N41 | I5-T37 HydrophobicContact CD1-CG2 4.15Å; I33-T37 PolarHBondContact O-N 2.86Å; I33-T37 PolarHBondContact O-OG1 3.23Å; I33-T37 VanDerWaalsContact O-OG1 3.05Å; I34-T37 PolarHBondContact O-N 3.49Å; T37-Q40 PolarHBondContact O-N 2.83Å; T37-N41 WeakPolarHBondContact O-CB 3.39Å; T37-N41 VanDerWaalsContact O-CG 3.3Å; T37-N41 PolarHBondContact O-N 3.19Å; T37-N41 PolarHBondContact O-ND2 3.45Å |
| 38 | V | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -41 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | I5 I34 R35 Q36 Q40 N41 L42 L54 L63 L65 | I5-V38 HydrophobicContact CD1-CG2 3.89Å; I5-V38 HydrophobicContact CG2-CG2 4.45Å; I34-V38 HydrophobicContact CG2-CG2 4.31Å; I34-V38 WeakPolarHBondContact O-CB 3.5Å; I34-V38 VanDerWaalsContact O-CG2 3.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.3Å; I34-V38 PolarHBondContact O-N 3.05Å; R35-V38 PolarHBondContact O-N 3.1Å; Q36-V38 VanDerWaalsContact C-N 3.3Å; Q36-V38 PolarHBondContact O-N 2.88Å; V38-Q40 VanDerWaalsContact C-N 3.34Å; V38-Q40 PolarHBondContact O-N 3.38Å; V38-N41 PolarHBondContact O-N 3.46Å; V38-L42 HydrophobicContact CG1-CD1 3.74Å; V38-L42 HydrophobicContact CG1-CG 4.45Å; V38-L42 WeakPolarHBondContact O-CB 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.45Å; V38-L42 PolarHBondContact O-N 3.42Å; V38-L54 HydrophobicContact CG1-CD2 3.89Å; V38-L63 HydrophobicContact CG1-CD2 3.86Å; V38-L65 HydrophobicContact CB-CD1 4.39Å; V38-L65 HydrophobicContact CG1-CD1 4.08Å; V38-L65 HydrophobicContact CG2-CD1 3.77Å |
| 39 | K | 90.9 | Very high | 86 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 175.6 | -46.6 | -146.8 | 174.3 | -177.5 | 0 | 111.2 | R35 Q36 L42 H43 L44 A46 I49 | R35-K39 WeakPolarHBondContact O-CG 3.44Å; R35-K39 PolarHBondContact O-N 2.78Å; Q36-K39 WeakPolarHBondContact O-CB 3.24Å; Q36-K39 PolarHBondContact O-N 3.15Å; Q36-K39 VanDerWaalsContact O-N 3.13Å; K39-L42 CarbonylContact O-C 3.37Å; K39-L42 PolarHBondContact O-N 3.02Å; K39-H43 PolarHBondContact O-N 2.87Å; K39-H43 VanDerWaalsContact O-N 3.14Å; K39-L44 PolarHBondContact O-N 3.46Å; K39-A46 PolarHBondContact NZ-O 3.44Å; K39-A46 VanDerWaalsContact NZ-O 3.11Å; K39-I49 HydrophobicContact CB-CD1 3.71Å; K39-I49 HydrophobicContact CD-CB 4.1Å; K39-I49 HydrophobicContact CD-CD1 3.48Å; K39-I49 VanDerWaalsContact CD-CD1 3.48Å; K39-I49 HydrophobicContact CD-CG1 4.46Å; K39-I49 HydrophobicContact CG-CD1 3.42Å; K39-I49 VanDerWaalsContact CG-CD1 3.42Å; K39-I49 PolarHBondContact NZ-O 3.5Å |
| 40 | Q | 92 | Very high | 85 | Confident | 138 Ų | 138 | 54.3 Ų | 54.3 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 179.7 | -71.4 | 171 | -11.1 | 0 | 0 | 111.5 | Q36 T37 V38 L42 H43 | Q36-Q40 WeakPolarHBondContact O-CG 3.47Å; Q36-Q40 PolarHBondContact O-N 3.03Å; T37-Q40 PolarHBondContact O-N 2.83Å; V38-Q40 VanDerWaalsContact C-N 3.34Å; V38-Q40 PolarHBondContact O-N 3.38Å; Q40-L42 PolarHBondContact O-N 3.08Å; Q40-H43 PolarHBondContact O-N 3.42Å |
| 41 | N | 91.9 | Very high | 84.5 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -24.9 | 178.3 | -77 | -40.6 | 0 | 0 | 0 | 113.6 | K1 T37 V38 | K1-N41 WeakPolarHBondContact CD-OD1 3.49Å; T37-N41 WeakPolarHBondContact O-CB 3.39Å; T37-N41 VanDerWaalsContact O-CG 3.3Å; T37-N41 PolarHBondContact O-N 3.19Å; T37-N41 PolarHBondContact O-ND2 3.45Å; V38-N41 PolarHBondContact O-N 3.46Å |
| 42 | L | 91.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1 | 176.5 | -71 | 173.6 | 0 | 0 | 0 | 113.3 | I2 V38 K39 Q40 L44 L63 F168 I169 I172 | I2-L42 HydrophobicContact CD1-CD1 3.98Å; I2-L42 HydrophobicContact CD1-CD2 3.25Å; I2-L42 HydrophobicContact CD1-CG 3.51Å; V38-L42 HydrophobicContact CG1-CD1 3.74Å; V38-L42 HydrophobicContact CG1-CG 4.45Å; V38-L42 WeakPolarHBondContact O-CB 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.45Å; V38-L42 PolarHBondContact O-N 3.42Å; K39-L42 CarbonylContact O-C 3.37Å; K39-L42 PolarHBondContact O-N 3.02Å; Q40-L42 PolarHBondContact O-N 3.08Å; L42-L44 HydrophobicContact CB-CB 4.45Å; L42-L44 HydrophobicContact CB-CD1 3.43Å; L42-L44 VanDerWaalsContact CB-CD1 3.43Å; L42-L44 HydrophobicContact CB-CG 3.62Å; L42-L44 HydrophobicContact CD1-CD1 3.6Å; L42-L44 HydrophobicContact CG-CD1 4.13Å; L42-L44 PolarHBondContact O-N 3.24Å; L42-L63 HydrophobicContact CD1-CD2 4.17Å; L42-F168 HydrophobicContact CD2-CD1 4.15Å; L42-F168 HydrophobicContact CD2-CE1 3.9Å; L42-I169 HydrophobicContact CD2-CG1 4.24Å; L42-I169 WeakPolarHBondContact O-CG2 3.31Å; L42-I172 HydrophobicContact CD1-CG2 4.32Å; L42-I172 HydrophobicContact CD2-CG1 4.28Å |
| 43 | H | 90.6 | Very high | 84.4 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 61% | 0.611 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42.1 | -172.6 | -54.5 | -81.2 | 0 | 0 | 0 | 112.1 | K39 Q40 Q173 | K39-H43 PolarHBondContact O-N 2.87Å; K39-H43 VanDerWaalsContact O-N 3.14Å; Q40-H43 PolarHBondContact O-N 3.42Å; H43-Q173 PolarHBondContact O-NE2 3.37Å; H43-Q173 VanDerWaalsContact O-NE2 3.1Å |
| 44 | L | 87.9 | Confident | 84.4 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | trans | -92.1 | 142.9 | 179 | -69.2 | 169.7 | 0 | 0 | 0 | 109.6 | K39 L42 I49 I172 Q173 T178 | K39-L44 PolarHBondContact O-N 3.46Å; L42-L44 HydrophobicContact CB-CB 4.45Å; L42-L44 HydrophobicContact CB-CD1 3.43Å; L42-L44 VanDerWaalsContact CB-CD1 3.43Å; L42-L44 HydrophobicContact CB-CG 3.62Å; L42-L44 HydrophobicContact CD1-CD1 3.6Å; L42-L44 HydrophobicContact CG-CD1 4.13Å; L42-L44 PolarHBondContact O-N 3.24Å; L44-I49 HydrophobicContact CB-CD1 3.42Å; L44-I49 VanDerWaalsContact CB-CD1 3.42Å; L44-I49 HydrophobicContact CB-CG1 4.1Å; L44-I49 HydrophobicContact CD1-CD1 3.32Å; L44-I49 HydrophobicContact CD1-CG1 3.63Å; L44-I49 HydrophobicContact CG-CD1 3.93Å; L44-I49 HydrophobicContact CG-CG1 4.37Å; L44-I172 HydrophobicContact CD1-CG2 3.91Å; L44-Q173 HydrophobicContact CD2-CG 3.77Å; L44-T178 HydrophobicContact CD2-CG2 4.36Å; L44-T178 WeakPolarHBondContact CD2-OG1 3.41Å | ||
| 45 | P | 80.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | trans | -56.5 | 142.7 | 177.4 | -15.7 | 23.9 | 0 | 0 | 0 | 110.7 | T47 A48 | P45-T47 PolarHBondContact O-N 3.11Å; P45-A48 HydrophobicContact CB-CB 3.69Å; P45-A48 HydrophobicContact CG-CB 3.6Å; P45-A48 CarbonylContact O-C 3.6Å; P45-A48 PolarHBondContact O-N 2.95Å; P45-A48 VanDerWaalsContact O-O 3.09Å | ||
| 46 | A | 70 | Confident | 84.4 | Confident | 89 Ų | 89 | 42.2 Ų | 42.2 | 74% | 0.736 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K39 | K39-A46 PolarHBondContact NZ-O 3.44Å; K39-A46 VanDerWaalsContact NZ-O 3.11Å |
| 47 | T | 68 | Low | 84.4 | Confident | 132 Ų | 132 | 39.9 Ų | 39.9 | 81% | 0.81 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -24 | 175.7 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | P45 | P45-T47 PolarHBondContact O-N 3.11Š|
| 48 | A | 59.1 | Low | 84.3 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | trans | -108.9 | 84.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P45 T178 | P45-A48 HydrophobicContact CB-CB 3.69Å; P45-A48 HydrophobicContact CG-CB 3.6Å; P45-A48 CarbonylContact O-C 3.6Å; P45-A48 PolarHBondContact O-N 2.95Å; P45-A48 VanDerWaalsContact O-O 3.09Å; A48-T178 HydrophobicContact CB-CG2 3.52Å | ||
| 49 | I | 63.2 | Low | 84.1 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | trans | -167.6 | 108.9 | 145.7 | -84.2 | 140.5 | 0 | 0 | 0 | 104 | K39 L44 G51 L54 | K39-I49 HydrophobicContact CB-CD1 3.71Å; K39-I49 HydrophobicContact CD-CB 4.1Å; K39-I49 HydrophobicContact CD-CD1 3.48Å; K39-I49 VanDerWaalsContact CD-CD1 3.48Å; K39-I49 HydrophobicContact CD-CG1 4.46Å; K39-I49 HydrophobicContact CG-CD1 3.42Å; K39-I49 VanDerWaalsContact CG-CD1 3.42Å; K39-I49 PolarHBondContact NZ-O 3.5Å; L44-I49 HydrophobicContact CB-CD1 3.42Å; L44-I49 VanDerWaalsContact CB-CD1 3.42Å; L44-I49 HydrophobicContact CB-CG1 4.1Å; L44-I49 HydrophobicContact CD1-CD1 3.32Å; L44-I49 HydrophobicContact CD1-CG1 3.63Å; L44-I49 HydrophobicContact CG-CD1 3.93Å; L44-I49 HydrophobicContact CG-CG1 4.37Å; I49-G51 PolarHBondContact O-N 3.28Å; I49-L54 HydrophobicContact CG2-CD1 3.65Å; I49-L54 HydrophobicContact CG2-CD2 4.03Å; I49-L54 HydrophobicContact CG2-CG 3.5Å | ||
| 50 | T | 71.3 | Confident | 84.1 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | trans | -59.1 | 110.3 | 164.2 | -54.3 | 0 | 0 | 0 | 0 | 106.6 | P52 F53 L136 T139 | T50-P52 HydrophobicContact CG2-CB 4Å; T50-P52 HydrophobicContact CG2-CG 3.68Å; T50-F53 PolarHBondContact O-N 3Å; T50-L136 HydrophobicContact CG2-CD1 4.22Å; T50-T139 HydrophobicContact CG2-CG2 3.68Å | ||
| 51 | G | 81.7 | Confident | 83.9 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -37.6 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I49 F53 L54 H55 | I49-G51 PolarHBondContact O-N 3.28Å; G51-F53 VanDerWaalsContact C-N 3.34Å; G51-F53 PolarHBondContact O-N 3.32Å; G51-L54 PolarHBondContact O-N 2.84Å; G51-L54 VanDerWaalsContact O-N 3.17Å; G51-H55 PolarHBondContact O-CD2 3.03Å; G51-H55 PolarHBondContact O-N 3.45Å |
| 52 | P | 89.4 | Confident | 83.9 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 10% | 0.104 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -46.9 | -41.3 | 168.5 | -33.5 | 32.9 | 0 | 0 | 0 | 117.6 | T50 L54 H55 L56 L132 Q135 L136 | T50-P52 HydrophobicContact CG2-CB 4Å; T50-P52 HydrophobicContact CG2-CG 3.68Å; P52-L54 VanDerWaalsContact C-N 3.33Å; P52-L54 PolarHBondContact O-N 3.46Å; P52-H55 PolarHBondContact O-N 3.48Å; P52-L56 WeakPolarHBondContact O-CB 3.4Å; P52-L56 PolarHBondContact O-N 3.29Å; P52-L132 HydrophobicContact CB-CB 4.3Å; P52-L132 HydrophobicContact CB-CD2 4.18Å; P52-L132 WeakPolarHBondContact CB-O 3Å; P52-L132 HydrophobicContact CG-CD2 4.03Å; P52-Q135 HydrophobicContact CG-CB 3.93Å; P52-L136 HydrophobicContact CB-CB 3.95Å |
| 53 | F | 91.4 | Very high | 83.9 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 179.1 | 174.1 | -105.3 | 0 | 0 | 0 | 112.5 | T50 G51 H55 G61 G62 L63 L136 L145 I172 T176 | T50-F53 PolarHBondContact O-N 3Å; G51-F53 VanDerWaalsContact C-N 3.34Å; G51-F53 PolarHBondContact O-N 3.32Å; F53-H55 VanDerWaalsContact C-N 3.34Å; F53-G61 WeakPolarHBondContact CE2-O 3.45Å; F53-G62 CarbonylContact O-C 3.58Å; F53-G62 WeakPolarHBondContact O-CA 3.45Å; F53-L63 HydrophobicContact CE1-CB 4.33Å; F53-L63 PolarHBondContact O-N 3.25Å; F53-L136 HydrophobicContact CB-CD1 3.83Å; F53-L136 HydrophobicContact CB-CD2 4.35Å; F53-L136 HydrophobicContact CD2-CD2 4.4Å; F53-L145 HydrophobicContact CD2-CD1 3.56Å; F53-L145 HydrophobicContact CE2-CD1 3.86Å; F53-I172 HydrophobicContact CE1-CG2 3.91Å; F53-I172 HydrophobicContact CZ-CD1 4.24Å; F53-I172 HydrophobicContact CZ-CG2 4.16Å; F53-T176 HydrophobicContact CD1-CG2 3.81Å; F53-T176 HydrophobicContact CD2-CG2 3.96Å; F53-T176 HydrophobicContact CE1-CG2 3.65Å; F53-T176 HydrophobicContact CE2-CG2 3.8Å; F53-T176 HydrophobicContact CG-CG2 3.96Å; F53-T176 HydrophobicContact CZ-CG2 3.64Å |
| 54 | L | 91.6 | Very high | 83.9 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 179.1 | -63.1 | 179.8 | 0 | 0 | 0 | 111 | R35 V38 I49 G51 P52 L63 G64 L65 | R35-L54 HydrophobicContact CB-CD1 3.98Å; R35-L54 HydrophobicContact CG-CD1 3.77Å; V38-L54 HydrophobicContact CG1-CD2 3.89Å; I49-L54 HydrophobicContact CG2-CD1 3.65Å; I49-L54 HydrophobicContact CG2-CD2 4.03Å; I49-L54 HydrophobicContact CG2-CG 3.5Å; G51-L54 PolarHBondContact O-N 2.84Å; G51-L54 VanDerWaalsContact O-N 3.17Å; P52-L54 VanDerWaalsContact C-N 3.33Å; P52-L54 PolarHBondContact O-N 3.46Å; L54-L63 HydrophobicContact CD2-CB 4.39Å; L54-L63 HydrophobicContact CD2-CD2 3.71Å; L54-G64 PolarHBondContact O-N 2.97Å; L54-L65 HydrophobicContact CB-CD1 4.43Å; L54-L65 WeakPolarHBondContact O-CB 3.49Å; L54-L65 PolarHBondContact O-N 3.38Å |
| 55 | H | 92.6 | Very high | 84.1 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -86.8 | -23.6 | -173.4 | -61.3 | -52.6 | 0 | 0 | 0 | 115.4 | D31 G51 P52 F53 L65 S67 L132 | D31-H55 IonicContact OD1-CE1 3.18Å; D31-H55 IonicContact OD2-CE1 2.7Å; D31-H55 PolarHBondContact OD2-CE1 2.86Å; D31-H55 VanDerWaalsContact OD2-CE1 3.27Å; D31-H55 IonicContact OD2-NE2 3.61Å; D31-H55 PolarHBondContact OD2-NE2 3.21Å; G51-H55 PolarHBondContact O-CD2 3.03Å; G51-H55 PolarHBondContact O-N 3.45Å; P52-H55 PolarHBondContact O-N 3.48Å; F53-H55 VanDerWaalsContact C-N 3.34Å; H55-L65 VanDerWaalsContact CA-O 3.22Å; H55-L65 WeakPolarHBondContact CA-O 3.3Å; H55-L65 PolarHBondContact ND1-O 3.42Å; H55-S67 WeakPolarHBondContact ND1-CA 3.2Å; H55-S67 PolarHBondContact ND1-N 3.41Å; H55-L132 HydrophobicContact CB-CD1 3.92Å |
| 56 | L | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -64.1 | 135.5 | 179 | -172.6 | 72.3 | 0 | 0 | 0 | 110 | P52 H60 G62 G64 E133 L136 | P52-L56 WeakPolarHBondContact O-CB 3.4Å; P52-L56 PolarHBondContact O-N 3.29Å; L56-H60 HydrophobicContact CD1-CB 4.05Å; L56-H60 HydrophobicContact CD2-CB 3.82Å; L56-H60 VanDerWaalsContact CD2-O 3.28Å; L56-H60 WeakPolarHBondContact CD2-O 3.21Å; L56-H60 HydrophobicContact CG-CB 3.82Å; L56-G62 CarbonylContact O-C 3.57Å; L56-G62 VanDerWaalsContact O-CA 3.28Å; L56-G62 WeakPolarHBondContact O-CA 3.42Å; L56-G64 WeakPolarHBondContact O-CA 3.41Å; L56-G64 PolarHBondContact O-N 3.03Å; L56-E133 HydrophobicContact CD1-CB 3.9Å; L56-L136 HydrophobicContact CD2-CD2 3.72Å |
| 57 | P | 91.2 | Very high | 85.6 | Confident | 48 Ų | 48 | 28 Ų | 28 | 31% | 0.312 | 17% | 0.165 | S | C | . | . | trans | -59.4 | 153 | 179.8 | -22.1 | 32 | 0 | 0 | 0 | 112.8 | Q59 H60 G62 | P57-Q59 PolarHBondContact O-N 2.94Å; P57-H60 PolarHBondContact O-N 2.92Å; P57-G62 PolarHBondContact O-N 2.98Å | ||
| 58 | T | 91.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 21.7 Ų | 21.7 | 14% | 0.141 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -60.6 | -29.8 | -179.9 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | R6 H60 G61 G62 N155 L158 | R6-T58 PolarHBondContact NH2-OG1 3.31Å; T58-H60 PolarHBondContact O-N 2.97Å; T58-G61 PolarHBondContact O-N 2.6Å; T58-G61 VanDerWaalsContact O-N 3.11Å; T58-G62 VanDerWaalsContact CA-O 3.25Å; T58-G62 WeakPolarHBondContact CA-O 3.5Å; T58-G62 PolarHBondContact OG1-O 3.36Å; T58-N155 HydrophobicContact CG2-CB 4.48Å; T58-N155 VanDerWaalsContact O-CB 3.27Å; T58-N155 WeakPolarHBondContact O-CB 3.48Å; T58-N155 PolarHBondContact O-ND2 2.92Å; T58-L158 HydrophobicContact CG2-CB 3.58Å; T58-L158 HydrophobicContact CG2-CD1 3.96Å; T58-L158 HydrophobicContact CG2-CG 4.4Å |
| 59 | Q | 89.4 | Confident | 88.1 | Confident | 146 Ų | 146 | 22.9 Ų | 22.9 | 68% | 0.682 | 13% | 0.132 | S | C | * | . | G | 310 helix | trans | -61.7 | -28.8 | 175.2 | -64.3 | 172.5 | -11.7 | 0 | 0 | 112.9 | P57 S150 N155 | P57-Q59 PolarHBondContact O-N 2.94Å; Q59-S150 WeakPolarHBondContact O-CA 3.28Å; Q59-S150 PolarHBondContact O-N 2.87Å; Q59-N155 PolarHBondContact O-ND2 2.99Å; Q59-N155 VanDerWaalsContact O-ND2 3.14Å |
| 60 | H | 89.5 | Confident | 89.4 | Confident | 48 Ų | 48 | 24 Ų | 24 | 22% | 0.222 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -100.7 | 17.1 | 178.8 | -55.8 | -77.6 | 0 | 0 | 0 | 112.2 | L56 P57 T58 | L56-H60 HydrophobicContact CD1-CB 4.05Å; L56-H60 HydrophobicContact CD2-CB 3.82Å; L56-H60 VanDerWaalsContact CD2-O 3.28Å; L56-H60 WeakPolarHBondContact CD2-O 3.21Å; L56-H60 HydrophobicContact CG-CB 3.82Å; P57-H60 PolarHBondContact O-N 2.92Å; T58-H60 PolarHBondContact O-N 2.97Å |
| 61 | G | 88.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 5.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F53 T58 N155 | F53-G61 WeakPolarHBondContact CE2-O 3.45Å; T58-G61 PolarHBondContact O-N 2.6Å; T58-G61 VanDerWaalsContact O-N 3.11Å; G61-N155 PolarHBondContact N-ND2 3.23Å |
| 62 | G | 91 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -89.3 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F53 L56 P57 T58 G64 L158 | F53-G62 CarbonylContact O-C 3.58Å; F53-G62 WeakPolarHBondContact O-CA 3.45Å; L56-G62 CarbonylContact O-C 3.57Å; L56-G62 VanDerWaalsContact O-CA 3.28Å; L56-G62 WeakPolarHBondContact O-CA 3.42Å; P57-G62 PolarHBondContact O-N 2.98Å; T58-G62 VanDerWaalsContact CA-O 3.25Å; T58-G62 WeakPolarHBondContact CA-O 3.5Å; T58-G62 PolarHBondContact OG1-O 3.36Å; G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 3.4Å; G62-L158 WeakPolarHBondContact O-CD1 3.36Å |
| 63 | L | 91.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | trans | -75.9 | -18.4 | 178.6 | -159.1 | 66.6 | 0 | 0 | 0 | 112.6 | I2 R6 V38 L42 F53 L54 L65 F168 I172 | I2-L63 HydrophobicContact CG2-CD2 4.4Å; R6-L63 PolarHBondContact NH1-O 3.01Å; R6-L63 PolarHBondContact NH2-O 3.17Å; V38-L63 HydrophobicContact CG1-CD2 3.86Å; L42-L63 HydrophobicContact CD1-CD2 4.17Å; F53-L63 HydrophobicContact CE1-CB 4.33Å; F53-L63 PolarHBondContact O-N 3.25Å; L54-L63 HydrophobicContact CD2-CB 4.39Å; L54-L63 HydrophobicContact CD2-CD2 3.71Å; L63-L65 HydrophobicContact CD2-CD1 3.9Å; L63-L65 HydrophobicContact CD2-CG 4.17Å; L63-L65 HydrophobicContact CG-CG 4.4Å; L63-F168 HydrophobicContact CD1-CZ 4Å; L63-I172 HydrophobicContact CD1-CD1 4.08Å | ||
| 64 | G | 91.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | trans | 64.1 | 39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | R6 L54 L56 G62 | R6-G64 PolarHBondContact NE-O 3.05Å; R6-G64 VanDerWaalsContact NH2-CA 3.27Å; R6-G64 PolarHBondContact NH2-O 3.15Å; L54-G64 PolarHBondContact O-N 2.97Å; L56-G64 WeakPolarHBondContact O-CA 3.41Å; L56-G64 PolarHBondContact O-N 3.03Å; G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 3.4Å | ||
| 65 | L | 92.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | trans | -85.3 | 112.2 | 166.3 | -60.4 | 179.1 | 0 | 0 | 0 | 109 | R6 I10 V38 L54 H55 L63 S67 | R6-L65 HydrophobicContact CB-CD2 4.11Å; R6-L65 HydrophobicContact CG-CD2 4.17Å; I10-L65 HydrophobicContact CD1-CB 4.22Å; I10-L65 HydrophobicContact CD1-CD2 3.84Å; V38-L65 HydrophobicContact CB-CD1 4.39Å; V38-L65 HydrophobicContact CG1-CD1 4.08Å; V38-L65 HydrophobicContact CG2-CD1 3.77Å; L54-L65 HydrophobicContact CB-CD1 4.43Å; L54-L65 WeakPolarHBondContact O-CB 3.49Å; L54-L65 PolarHBondContact O-N 3.38Å; H55-L65 VanDerWaalsContact CA-O 3.22Å; H55-L65 WeakPolarHBondContact CA-O 3.3Å; H55-L65 PolarHBondContact ND1-O 3.42Å; L63-L65 HydrophobicContact CD2-CD1 3.9Å; L63-L65 HydrophobicContact CD2-CG 4.17Å; L63-L65 HydrophobicContact CG-CG 4.4Å; L65-S67 PolarHBondContact O-N 3.21Å | ||
| 66 | P | 91.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | trans | -58 | 134.9 | -179.5 | 24.9 | -34.3 | 0 | 0 | 0 | 111.2 | I10 I14 L68 V71 | I10-P66 HydrophobicContact CD1-CG 4.47Å; I10-P66 HydrophobicContact CG2-CG 3.39Å; I14-P66 HydrophobicContact CD1-CG 4.13Å; P66-L68 PolarHBondContact O-N 2.74Å; P66-V71 HydrophobicContact CB-CG2 3.7Å | ||
| 67 | S | 90.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | trans | -67.3 | 116 | 170.9 | 175.6 | 0 | 0 | 0 | 0 | 109 | H55 L65 I69 N70 V71 | H55-S67 WeakPolarHBondContact ND1-CA 3.2Å; H55-S67 PolarHBondContact ND1-N 3.41Å; L65-S67 PolarHBondContact O-N 3.21Å; S67-I69 VanDerWaalsContact C-N 3.32Å; S67-I69 PolarHBondContact O-N 2.91Å; S67-I69 WeakPolarHBondContact OG-CG2 3.41Å; S67-N70 PolarHBondContact O-N 3.15Å; S67-V71 WeakPolarHBondContact O-CB 3.44Å; S67-V71 WeakPolarHBondContact O-CG2 3.41Å; S67-V71 PolarHBondContact O-N 3.48Å | ||
| 68 | L | 90.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | -173.4 | -67.3 | -177.2 | 0 | 0 | 0 | 111 | I10 C13 I14 L17 V30 D31 I34 P66 N70 V71 T72 | I10-L68 HydrophobicContact CG2-CD2 4.37Å; C13-L68 HydrophobicContact CB-CD1 4.17Å; C13-L68 HydrophobicContact CB-CD2 4.29Å; I14-L68 HydrophobicContact CD1-CD2 4.31Å; I14-L68 HydrophobicContact CG1-CD2 3.61Å; L17-L68 HydrophobicContact CD1-CB 4.22Å; L17-L68 HydrophobicContact CD1-CD1 3.96Å; V30-L68 HydrophobicContact CB-CD1 4.1Å; V30-L68 HydrophobicContact CG1-CD1 3.56Å; D31-L68 HydrophobicContact CB-CB 4.19Å; D31-L68 HydrophobicContact CB-CD1 4.4Å; D31-L68 HydrophobicContact CB-CG 4.42Å; D31-L68 PolarHBondContact OD1-N 3.44Å; I34-L68 HydrophobicContact CD1-CD1 3.64Å; I34-L68 HydrophobicContact CD1-CG 4.44Å; P66-L68 PolarHBondContact O-N 2.74Å; L68-N70 PolarHBondContact O-N 2.99Å; L68-V71 PolarHBondContact O-N 3.27Å; L68-T72 WeakPolarHBondContact O-CB 3.28Å; L68-T72 WeakPolarHBondContact O-CG2 3.37Å; L68-T72 PolarHBondContact O-N 3.14Å; L68-T72 PolarHBondContact O-OG1 3.24Å |
| 69 | I | 89.4 | Confident | 90.9 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 16% | 0.164 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.4 | -46.6 | 177.8 | 179.7 | 159.2 | 0 | 0 | 0 | 112.7 | A27 S28 S67 T72 R73 | A27-I69 HydrophobicContact CB-CB 4.45Å; S28-I69 WeakPolarHBondContact OG-CD1 3.47Å; S67-I69 VanDerWaalsContact C-N 3.32Å; S67-I69 PolarHBondContact O-N 2.91Å; S67-I69 WeakPolarHBondContact OG-CG2 3.41Å; I69-T72 PolarHBondContact O-OG1 3.48Å; I69-T72 VanDerWaalsContact O-OG1 3.12Å; I69-R73 VanDerWaalsContact CD1-CZ 3.45Å; I69-R73 WeakPolarHBondContact O-CB 3.27Å; I69-R73 VanDerWaalsContact O-CD 3.28Å; I69-R73 WeakPolarHBondContact O-CD 3.31Å; I69-R73 WeakPolarHBondContact O-CG 3.3Å; I69-R73 PolarHBondContact O-N 2.79Å |
| 70 | N | 90.7 | Very high | 91.1 | Very high | 35 Ų | 35 | 29.6 Ų | 29.6 | 19% | 0.187 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.4 | -38.5 | -177.6 | -71.4 | -27 | 0 | 0 | 0 | 111.5 | S67 L68 I74 L128 | S67-N70 PolarHBondContact O-N 3.15Å; L68-N70 PolarHBondContact O-N 2.99Å; N70-I74 WeakPolarHBondContact O-CB 3.33Å; N70-I74 WeakPolarHBondContact O-CD1 3.27Å; N70-I74 VanDerWaalsContact O-CG1 3.27Å; N70-I74 WeakPolarHBondContact O-CG1 3.49Å; N70-I74 PolarHBondContact O-N 3.33Å; N70-L128 HydrophobicContact CB-CD1 4.13Å |
| 71 | V | 91.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 24% | 0.236 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.1 | -40.9 | -180 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | I14 P66 S67 L68 K75 | I14-V71 HydrophobicContact CD1-CG1 3.93Å; I14-V71 HydrophobicContact CG1-CG1 4.18Å; I14-V71 HydrophobicContact CG2-CG1 3.99Å; P66-V71 HydrophobicContact CB-CG2 3.7Å; S67-V71 WeakPolarHBondContact O-CB 3.44Å; S67-V71 WeakPolarHBondContact O-CG2 3.41Å; S67-V71 PolarHBondContact O-N 3.48Å; L68-V71 PolarHBondContact O-N 3.27Å; V71-K75 HydrophobicContact CG1-CD 4.4Å; V71-K75 HydrophobicContact CG1-CG 4.38Å; V71-K75 VanDerWaalsContact O-CB 3.3Å; V71-K75 WeakPolarHBondContact O-CB 3.35Å; V71-K75 WeakPolarHBondContact O-CG 3.44Å; V71-K75 PolarHBondContact O-N 3.05Å |
| 72 | T | 90.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -48.2 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | L17 L68 I69 I74 K75 T76 | L17-T72 HydrophobicContact CB-CG2 3.42Å; L17-T72 VanDerWaalsContact CB-CG2 3.42Å; L17-T72 HydrophobicContact CD1-CG2 4.17Å; L17-T72 HydrophobicContact CG-CG2 4.45Å; L68-T72 WeakPolarHBondContact O-CB 3.28Å; L68-T72 WeakPolarHBondContact O-CG2 3.37Å; L68-T72 PolarHBondContact O-N 3.14Å; L68-T72 PolarHBondContact O-OG1 3.24Å; I69-T72 PolarHBondContact O-OG1 3.48Å; I69-T72 VanDerWaalsContact O-OG1 3.12Å; T72-I74 PolarHBondContact O-N 2.95Å; T72-K75 PolarHBondContact O-N 3.38Å; T72-K75 VanDerWaalsContact O-N 3.15Å; T72-T76 WeakPolarHBondContact O-CB 3.06Å; T72-T76 PolarHBondContact O-N 2.97Å; T72-T76 PolarHBondContact O-OG1 3.45Å |
| 73 | R | 91.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.6 | -49.8 | 175.8 | -71.5 | 172.9 | 172 | 171.7 | -4.8 | 112.7 | I69 T76 L77 L107 L111 | I69-R73 VanDerWaalsContact CD1-CZ 3.45Å; I69-R73 WeakPolarHBondContact O-CB 3.27Å; I69-R73 VanDerWaalsContact O-CD 3.28Å; I69-R73 WeakPolarHBondContact O-CD 3.31Å; I69-R73 WeakPolarHBondContact O-CG 3.3Å; I69-R73 PolarHBondContact O-N 2.79Å; R73-T76 PolarHBondContact O-N 2.84Å; R73-L77 PolarHBondContact O-N 3.28Å; R73-L107 HydrophobicContact CB-CD2 3.82Å; R73-L107 HydrophobicContact CG-CD2 3.54Å; R73-L111 HydrophobicContact CB-CD1 4.26Å |
| 74 | I | 92.3 | Very high | 91.7 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 178.3 | -70.1 | 167.7 | 0 | 0 | 0 | 110.4 | N70 T72 L77 W78 L111 K125 L128 | N70-I74 WeakPolarHBondContact O-CB 3.33Å; N70-I74 WeakPolarHBondContact O-CD1 3.27Å; N70-I74 VanDerWaalsContact O-CG1 3.27Å; N70-I74 WeakPolarHBondContact O-CG1 3.49Å; N70-I74 PolarHBondContact O-N 3.33Å; T72-I74 PolarHBondContact O-N 2.95Å; I74-L77 PolarHBondContact O-N 3.31Å; I74-W78 VanDerWaalsContact O-CB 3.29Å; I74-W78 WeakPolarHBondContact O-CB 3.31Å; I74-W78 PolarHBondContact O-N 3.32Å; I74-L111 HydrophobicContact CG1-CD1 3.97Å; I74-L111 HydrophobicContact CG1-CD2 4.41Å; I74-K125 HydrophobicContact CD1-CB 4.1Å; I74-K125 HydrophobicContact CD1-CG 4.45Å; I74-L128 HydrophobicContact CD1-CD1 4.16Å |
| 75 | K | 91.2 | Very high | 91.9 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 178.3 | -83.7 | -163.5 | 172.9 | -167.8 | 0 | 112.5 | I14 V71 T72 W78 S79 | I14-K75 HydrophobicContact CG2-CD 3.63Å; V71-K75 HydrophobicContact CG1-CD 4.4Å; V71-K75 HydrophobicContact CG1-CG 4.38Å; V71-K75 VanDerWaalsContact O-CB 3.3Å; V71-K75 WeakPolarHBondContact O-CB 3.35Å; V71-K75 WeakPolarHBondContact O-CG 3.44Å; V71-K75 PolarHBondContact O-N 3.05Å; T72-K75 PolarHBondContact O-N 3.38Å; T72-K75 VanDerWaalsContact O-N 3.15Å; K75-W78 CarbonylContact O-C 3.33Å; K75-W78 WeakPolarHBondContact O-CA 3.41Å; K75-W78 WeakPolarHBondContact O-CB 3.45Å; K75-W78 PolarHBondContact O-N 3.21Å; K75-W78 VanDerWaalsContact O-N 3.1Å; K75-S79 PolarHBondContact O-N 3.14Å; K75-S79 PolarHBondContact O-OG 3.01Å |
| 76 | T | 91 | Very high | 91.9 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | S18 P22 T72 R73 W78 S79 F80 L107 | S18-T76 PolarHBondContact O-OG1 2.83Å; P22-T76 HydrophobicContact CB-CG2 4.07Å; P22-T76 HydrophobicContact CG-CG2 4.1Å; T72-T76 WeakPolarHBondContact O-CB 3.06Å; T72-T76 PolarHBondContact O-N 2.97Å; T72-T76 PolarHBondContact O-OG1 3.45Å; R73-T76 PolarHBondContact O-N 2.84Å; T76-W78 VanDerWaalsContact C-N 3.26Å; T76-W78 PolarHBondContact O-N 3.02Å; T76-S79 WeakPolarHBondContact O-CB 3.05Å; T76-S79 PolarHBondContact O-N 3.47Å; T76-F80 HydrophobicContact CG2-CD2 4.03Å; T76-F80 HydrophobicContact CG2-CE2 3.65Å; T76-F80 VanDerWaalsContact O-CD2 3.24Å; T76-F80 WeakPolarHBondContact O-CD2 3.5Å; T76-F80 PolarHBondContact O-N 3.33Å; T76-L107 HydrophobicContact CG2-CD1 4Å |
| 77 | L | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 171.3 | -79.1 | -174.3 | 0 | 0 | 0 | 112.5 | R73 I74 S79 F80 L81 I104 L107 L111 L116 L121 | R73-L77 PolarHBondContact O-N 3.28Å; I74-L77 PolarHBondContact O-N 3.31Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-F80 PolarHBondContact O-N 3.34Å; L77-L81 WeakPolarHBondContact O-CB 3.28Å; L77-L81 PolarHBondContact O-N 2.97Å; L77-I104 HydrophobicContact CD2-CB 4.45Å; L77-I104 HydrophobicContact CD2-CG1 4.4Å; L77-I104 HydrophobicContact CD2-CG2 4.2Å; L77-L107 HydrophobicContact CD1-CB 4.01Å; L77-L107 HydrophobicContact CD2-CB 3.65Å; L77-L107 HydrophobicContact CD2-CD1 3.84Å; L77-L107 HydrophobicContact CD2-CG 4.41Å; L77-L107 HydrophobicContact CG-CB 3.79Å; L77-L107 HydrophobicContact CG-CD1 3.88Å; L77-L107 HydrophobicContact CG-CG 4.45Å; L77-L111 HydrophobicContact CD1-CD1 3.64Å; L77-L116 HydrophobicContact CB-CD1 4.1Å; L77-L116 HydrophobicContact CD1-CD1 4.2Å; L77-L116 HydrophobicContact CD2-CD1 3.96Å; L77-L116 HydrophobicContact CG-CD1 4.33Å; L77-L121 HydrophobicContact CB-CD1 4.23Å; L77-L121 HydrophobicContact CB-CD2 3.86Å; L77-L121 HydrophobicContact CD1-CD2 3.64Å; L77-L121 HydrophobicContact CG-CD2 4.43Å |
| 78 | W | 92.9 | Very high | 92.3 | Very high | 119 Ų | 119 | 54.7 Ų | 54.7 | 45% | 0.451 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 178.1 | -158.7 | 18.2 | 0 | 0 | 0 | 111.7 | I74 K75 T76 L81 K82 F118 L121 | I74-W78 VanDerWaalsContact O-CB 3.29Å; I74-W78 WeakPolarHBondContact O-CB 3.31Å; I74-W78 PolarHBondContact O-N 3.32Å; K75-W78 CarbonylContact O-C 3.33Å; K75-W78 WeakPolarHBondContact O-CA 3.41Å; K75-W78 WeakPolarHBondContact O-CB 3.45Å; K75-W78 PolarHBondContact O-N 3.21Å; K75-W78 VanDerWaalsContact O-N 3.1Å; T76-W78 VanDerWaalsContact C-N 3.26Å; T76-W78 PolarHBondContact O-N 3.02Å; W78-L81 PolarHBondContact O-N 3.24Å; W78-K82 WeakPolarHBondContact O-CG 3.22Å; W78-K82 PolarHBondContact O-N 3.02Å; W78-F118 AromaticContact CD1-CD1 3.4Å; W78-F118 AromaticContact CD1-CE1 3.29Å; W78-F118 AromaticContact NE1-CD1 3.12Å; W78-F118 AromaticContact NE1-CE1 3.14Å; W78-L121 HydrophobicContact CB-CD1 4.32Å |
| 79 | S | 91.8 | Very high | 92.5 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 172.7 | -63 | 0 | 0 | 0 | 0 | 112 | K75 T76 L77 L81 K82 L83 | K75-S79 PolarHBondContact O-N 3.14Å; K75-S79 PolarHBondContact O-OG 3.01Å; T76-S79 WeakPolarHBondContact O-CB 3.05Å; T76-S79 PolarHBondContact O-N 3.47Å; L77-S79 VanDerWaalsContact C-N 3.33Å; S79-L81 VanDerWaalsContact C-N 3.28Å; S79-L81 PolarHBondContact O-N 3.3Å; S79-K82 WeakPolarHBondContact O-CB 3.19Å; S79-K82 PolarHBondContact O-N 2.93Å; S79-K82 VanDerWaalsContact O-N 3.08Å; S79-L83 PolarHBondContact O-N 3.38Å |
| 80 | F | 92.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 13% | 0.132 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 174.4 | -78.4 | -58.7 | 0 | 0 | 0 | 112.1 | T76 L77 K82 L83 S84 F95 A103 I104 | T76-F80 HydrophobicContact CG2-CD2 4.03Å; T76-F80 HydrophobicContact CG2-CE2 3.65Å; T76-F80 VanDerWaalsContact O-CD2 3.24Å; T76-F80 WeakPolarHBondContact O-CD2 3.5Å; T76-F80 PolarHBondContact O-N 3.33Å; L77-F80 PolarHBondContact O-N 3.34Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 3.2Å; F80-L83 HydrophobicContact CD1-CD1 4.24Å; F80-L83 WeakPolarHBondContact O-CB 3.47Å; F80-L83 PolarHBondContact O-N 3.4Å; F80-L83 VanDerWaalsContact O-N 3.11Å; F80-S84 PolarHBondContact O-N 3Å; F80-F95 HydrophobicContact CB-CD2 4.27Å; F80-F95 HydrophobicContact CB-CE2 4.31Å; F80-F95 WeakPolarHBondContact O-CD2 3.38Å; F80-A103 HydrophobicContact CE2-CB 4.27Å; F80-A103 HydrophobicContact CZ-CB 4.26Å; F80-I104 HydrophobicContact CB-CD1 3.91Å; F80-I104 HydrophobicContact CB-CG1 3.97Å; F80-I104 HydrophobicContact CD1-CD1 3.99Å; F80-I104 HydrophobicContact CD1-CG1 4.2Å; F80-I104 HydrophobicContact CD2-CD1 4.31Å; F80-I104 HydrophobicContact CD2-CG1 3.65Å; F80-I104 HydrophobicContact CE2-CG1 4.13Å; F80-I104 HydrophobicContact CG-CD1 3.83Å; F80-I104 HydrophobicContact CG-CG1 3.69Å |
| 81 | L | 93.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 176.5 | -170.6 | 58.4 | 0 | 0 | 0 | 112 | L77 W78 S79 L83 S84 Y85 L116 T117 F118 L121 | L77-L81 WeakPolarHBondContact O-CB 3.28Å; L77-L81 PolarHBondContact O-N 2.97Å; W78-L81 PolarHBondContact O-N 3.24Å; S79-L81 VanDerWaalsContact C-N 3.28Å; S79-L81 PolarHBondContact O-N 3.3Å; L81-L83 VanDerWaalsContact C-N 3.3Å; L81-L83 PolarHBondContact O-N 2.88Å; L81-S84 PolarHBondContact O-N 3.04Å; L81-S84 PolarHBondContact O-OG 3Å; L81-Y85 HydrophobicContact CD1-CD2 4.07Å; L81-Y85 HydrophobicContact CD1-CE2 3.42Å; L81-Y85 VanDerWaalsContact CD1-CE2 3.42Å; L81-Y85 HydrophobicContact CD2-CE2 4.47Å; L81-Y85 HydrophobicContact CG-CD2 4.1Å; L81-Y85 HydrophobicContact CG-CE2 3.74Å; L81-Y85 WeakPolarHBondContact O-CD2 3.47Å; L81-Y85 PolarHBondContact O-N 3.39Å; L81-L116 HydrophobicContact CB-CD2 4.33Å; L81-L116 HydrophobicContact CB-CG 4.38Å; L81-L116 HydrophobicContact CD1-CD2 4.23Å; L81-L116 HydrophobicContact CD1-CG 4Å; L81-T117 VanDerWaalsContact CD2-C 3.46Å; L81-F118 HydrophobicContact CB-CE1 4.24Å; L81-F118 HydrophobicContact CD2-CB 4.38Å; L81-F118 HydrophobicContact CD2-CD1 3.35Å; L81-F118 HydrophobicContact CD2-CD2 3.99Å; L81-F118 HydrophobicContact CD2-CE1 3.46Å; L81-F118 VanDerWaalsContact CD2-CE1 3.46Å; L81-F118 HydrophobicContact CD2-CE2 4.07Å; L81-F118 HydrophobicContact CD2-CG 3.64Å; L81-F118 HydrophobicContact CD2-CZ 3.83Å; L81-F118 VanDerWaalsContact CD2-N 3.33Å; L81-F118 HydrophobicContact CG-CD1 4.17Å; L81-F118 HydrophobicContact CG-CE1 3.75Å; L81-F118 HydrophobicContact CG-CE2 4.17Å; L81-F118 HydrophobicContact CG-CZ 3.75Å; L81-L121 HydrophobicContact CD2-CD1 4.13Å |
| 82 | K | 93.8 | Very high | 93.1 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 172.6 | -73.7 | 178.7 | 179.1 | -172.9 | 0 | 112.5 | W78 S79 F80 Y85 S86 | W78-K82 WeakPolarHBondContact O-CG 3.22Å; W78-K82 PolarHBondContact O-N 3.02Å; S79-K82 WeakPolarHBondContact O-CB 3.19Å; S79-K82 PolarHBondContact O-N 2.93Å; S79-K82 VanDerWaalsContact O-N 3.08Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 3.2Å; K82-Y85 PolarHBondContact O-N 2.76Å; K82-S86 PolarHBondContact O-N 3.46Å; K82-S86 VanDerWaalsContact O-N 3.15Å |
| 83 | L | 92.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 72.1 Ų | 72.1 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.1 | -66.3 | 174.7 | 0 | 0 | 0 | 111.7 | S79 F80 L81 Y85 S86 M91 V94 F95 | S79-L83 PolarHBondContact O-N 3.38Å; F80-L83 HydrophobicContact CD1-CD1 4.24Å; F80-L83 WeakPolarHBondContact O-CB 3.47Å; F80-L83 PolarHBondContact O-N 3.4Å; F80-L83 VanDerWaalsContact O-N 3.11Å; L81-L83 VanDerWaalsContact C-N 3.3Å; L81-L83 PolarHBondContact O-N 2.88Å; L83-Y85 VanDerWaalsContact C-N 3.32Å; L83-Y85 PolarHBondContact O-N 3.28Å; L83-S86 VanDerWaalsContact O-CB 3.26Å; L83-S86 WeakPolarHBondContact O-CB 3.49Å; L83-S86 PolarHBondContact O-N 3.26Å; L83-M91 HydrophobicContact CD2-CB 4.13Å; L83-M91 HydrophobicContact CD2-CG 4.33Å; L83-M91 HydrophobicContact CD2-SD 3.53Å; L83-M91 VanDerWaalsContact CD2-SD 3.53Å; L83-V94 HydrophobicContact CD1-CG1 4.26Å; L83-F95 HydrophobicContact CB-CB 4.08Å |
| 84 | S | 93.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 73 Ų | 73 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | F80 L81 S86 | F80-S84 PolarHBondContact O-N 3Å; L81-S84 PolarHBondContact O-N 3.04Å; L81-S84 PolarHBondContact O-OG 3Å; S84-S86 VanDerWaalsContact C-N 3.34Å |
| 85 | Y | 93.9 | Very high | 93.5 | Very high | 141 Ų | 141 | 73.4 Ų | 73.4 | 55% | 0.553 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.9 | 176.8 | -68.2 | -70.8 | 0 | 0 | 0 | 113.9 | L81 K82 L83 F118 | L81-Y85 HydrophobicContact CD1-CD2 4.07Å; L81-Y85 HydrophobicContact CD1-CE2 3.42Å; L81-Y85 VanDerWaalsContact CD1-CE2 3.42Å; L81-Y85 HydrophobicContact CD2-CE2 4.47Å; L81-Y85 HydrophobicContact CG-CD2 4.1Å; L81-Y85 HydrophobicContact CG-CE2 3.74Å; L81-Y85 WeakPolarHBondContact O-CD2 3.47Å; L81-Y85 PolarHBondContact O-N 3.39Å; K82-Y85 PolarHBondContact O-N 2.76Å; L83-Y85 VanDerWaalsContact C-N 3.32Å; L83-Y85 PolarHBondContact O-N 3.28Å; Y85-F118 AromaticContact CD2-CE2 3.63Å; Y85-F118 HydrophobicContact CD2-CE2 3.63Å; Y85-F118 AromaticContact CD2-CZ 3.82Å; Y85-F118 HydrophobicContact CD2-CZ 3.82Å; Y85-F118 HydrophobicContact CE2-CD2 4.25Å; Y85-F118 AromaticContact CE2-CE2 3.49Å; Y85-F118 HydrophobicContact CE2-CE2 3.49Å; Y85-F118 VanDerWaalsContact CE2-CE2 3.49Å; Y85-F118 HydrophobicContact CE2-CZ 4.01Å |
| 86 | S | 94.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 75.4 Ų | 75.4 | 15% | 0.154 | 38% | 0.375 | C | S | . | . | trans | -64.2 | 140.6 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | K82 L83 S84 R88 M91 R92 | K82-S86 PolarHBondContact O-N 3.46Å; K82-S86 VanDerWaalsContact O-N 3.15Å; L83-S86 VanDerWaalsContact O-CB 3.26Å; L83-S86 WeakPolarHBondContact O-CB 3.49Å; L83-S86 PolarHBondContact O-N 3.26Å; S84-S86 VanDerWaalsContact C-N 3.34Å; S86-R88 PolarHBondContact O-N 3.42Å; S86-R88 PolarHBondContact OG-N 3.27Å; S86-M91 WeakPolarHBondContact OG-CB 3.48Å; S86-R92 PolarHBondContact O-NE 3.45Å; S86-R92 PolarHBondContact O-NH2 2.89Å | ||
| 87 | P | 94.4 | Very high | 93.8 | Very high | 114 Ų | 114 | 79.1 Ų | 79.1 | 74% | 0.74 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -69.2 | -19.8 | 174.7 | 27.2 | -34.1 | 0 | 0 | 0 | 112.7 | ||
| 88 | R | 95.2 | Very high | 93.9 | Very high | 170 Ų | 170 | 82.8 Ų | 82.8 | 64% | 0.642 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82.1 | 125 | -175.5 | -63.9 | -178.3 | 177.7 | 178.8 | -1.4 | 111.2 | S86 L90 M91 | S86-R88 PolarHBondContact O-N 3.42Å; S86-R88 PolarHBondContact OG-N 3.27Å; R88-L90 VanDerWaalsContact C-N 3.3Å; R88-L90 PolarHBondContact O-N 3.14Å; R88-M91 HydrophobicContact CB-CB 4.45Å; R88-M91 HydrophobicContact CB-CG 4.02Å; R88-M91 WeakPolarHBondContact O-CB 3.48Å; R88-M91 PolarHBondContact O-N 3.37Å |
| 89 | P | 94 | Very high | 93.9 | Very high | 101 Ų | 101 | 82.2 Ų | 82.2 | 66% | 0.656 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -54.9 | -41.8 | 179.4 | -27.6 | 35 | 0 | 0 | 0 | 113.7 | M91 R92 T93 | P89-M91 PolarHBondContact O-N 2.55Å; P89-R92 WeakPolarHBondContact O-CB 3.2Å; P89-R92 PolarHBondContact O-N 2.91Å; P89-T93 PolarHBondContact O-N 3.46Å |
| 90 | L | 95 | Very high | 93.8 | Very high | 123 Ų | 123 | 79.7 Ų | 79.7 | 64% | 0.644 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.1 | -34.3 | 177.9 | -175.2 | 68.9 | 0 | 0 | 0 | 113.2 | R88 R92 T93 V94 | R88-L90 VanDerWaalsContact C-N 3.3Å; R88-L90 PolarHBondContact O-N 3.14Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-T93 PolarHBondContact O-OG1 3.04Å; L90-V94 VanDerWaalsContact O-CG2 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.23Å; L90-V94 PolarHBondContact O-N 3.32Å |
| 91 | M | 94.4 | Very high | 93.9 | Very high | 63 Ų | 63 | 81.7 Ų | 81.7 | 31% | 0.31 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.9 | -31.5 | 179.4 | -66.3 | -66.9 | -178.8 | 0 | 0 | 111.6 | L83 S86 R88 P89 F95 | L83-M91 HydrophobicContact CD2-CB 4.13Å; L83-M91 HydrophobicContact CD2-CG 4.33Å; L83-M91 HydrophobicContact CD2-SD 3.53Å; L83-M91 VanDerWaalsContact CD2-SD 3.53Å; S86-M91 WeakPolarHBondContact OG-CB 3.48Å; R88-M91 HydrophobicContact CB-CB 4.45Å; R88-M91 HydrophobicContact CB-CG 4.02Å; R88-M91 WeakPolarHBondContact O-CB 3.48Å; R88-M91 PolarHBondContact O-N 3.37Å; P89-M91 PolarHBondContact O-N 2.55Å; M91-F95 PolarHBondContact O-N 2.8Å; M91-F95 VanDerWaalsContact O-N 3.15Å |
| 92 | R | 94.6 | Very high | 93.8 | Very high | 118 Ų | 118 | 89.5 Ų | 89.5 | 45% | 0.445 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.5 | -40.5 | 175.9 | -60.9 | -177.6 | -174.9 | 179.1 | -0.6 | 111.3 | S86 P89 L90 V94 F95 E96 | S86-R92 PolarHBondContact O-NE 3.45Å; S86-R92 PolarHBondContact O-NH2 2.89Å; P89-R92 WeakPolarHBondContact O-CB 3.2Å; P89-R92 PolarHBondContact O-N 2.91Å; L90-R92 VanDerWaalsContact C-N 3.33Å; R92-V94 VanDerWaalsContact C-N 3.31Å; R92-V94 PolarHBondContact O-N 2.7Å; R92-F95 WeakPolarHBondContact O-CA 3.27Å; R92-F95 WeakPolarHBondContact O-CB 3.15Å; R92-F95 PolarHBondContact O-N 2.95Å; R92-F95 VanDerWaalsContact O-N 3.07Å; R92-E96 WeakPolarHBondContact O-CG 3.25Å; R92-E96 PolarHBondContact O-N 3.17Å |
| 93 | T | 95.1 | Very high | 93.7 | Very high | 75 Ų | 75 | 84.3 Ų | 84.3 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | P89 L90 F95 E96 H97 | P89-T93 PolarHBondContact O-N 3.46Å; L90-T93 PolarHBondContact O-OG1 3.04Å; T93-F95 VanDerWaalsContact C-N 3.32Å; T93-F95 PolarHBondContact O-N 2.96Å; T93-E96 PolarHBondContact O-N 2.92Å; T93-H97 PolarHBondContact O-N 2.93Å |
| 94 | V | 93.7 | Very high | 93.7 | Very high | 64 Ų | 64 | 82.3 Ų | 82.3 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 173 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | L83 L90 R92 H97 S100 | L83-V94 HydrophobicContact CD1-CG1 4.26Å; L90-V94 VanDerWaalsContact O-CG2 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.23Å; L90-V94 PolarHBondContact O-N 3.32Å; R92-V94 VanDerWaalsContact C-N 3.31Å; R92-V94 PolarHBondContact O-N 2.7Å; V94-H97 WeakPolarHBondContact O-CB 3.14Å; V94-H97 PolarHBondContact O-N 2.88Å; V94-S100 VanDerWaalsContact O-CB 3.29Å; V94-S100 WeakPolarHBondContact O-CB 3.45Å; V94-S100 PolarHBondContact O-OG 2.97Å |
| 95 | F | 94.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 83.5 Ų | 83.5 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 175 | 172.4 | -99.2 | 0 | 0 | 0 | 111.6 | F80 L83 M91 R92 T93 H97 S100 Q101 I104 L116 | F80-F95 HydrophobicContact CB-CD2 4.27Å; F80-F95 HydrophobicContact CB-CE2 4.31Å; F80-F95 WeakPolarHBondContact O-CD2 3.38Å; L83-F95 HydrophobicContact CB-CB 4.08Å; M91-F95 PolarHBondContact O-N 2.8Å; M91-F95 VanDerWaalsContact O-N 3.15Å; R92-F95 WeakPolarHBondContact O-CA 3.27Å; R92-F95 WeakPolarHBondContact O-CB 3.15Å; R92-F95 PolarHBondContact O-N 2.95Å; R92-F95 VanDerWaalsContact O-N 3.07Å; T93-F95 VanDerWaalsContact C-N 3.32Å; T93-F95 PolarHBondContact O-N 2.96Å; F95-H97 VanDerWaalsContact C-N 3.27Å; F95-H97 PolarHBondContact O-N 2.85Å; F95-S100 WeakPolarHBondContact O-CB 3.32Å; F95-Q101 PolarHBondContact O-NE2 2.89Å; F95-I104 HydrophobicContact CD2-CD1 3.92Å; F95-I104 HydrophobicContact CE2-CD1 3.52Å; F95-I104 HydrophobicContact CZ-CD1 4.25Å; F95-L116 HydrophobicContact CE2-CD2 4.18Å; F95-L116 HydrophobicContact CZ-CD2 4.49Å |
| 96 | E | 94.2 | Very high | 93.5 | Very high | 129 Ų | 129 | 78.2 Ų | 78.2 | 60% | 0.603 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.2 | -16.9 | 179.2 | -70.5 | 169.3 | -174.4 | 0 | 0 | 113.4 | R92 T93 | R92-E96 WeakPolarHBondContact O-CG 3.25Å; R92-E96 PolarHBondContact O-N 3.17Å; T93-E96 PolarHBondContact O-N 2.92Å |
| 97 | H | 95.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 77.1 Ų | 77.1 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -53.5 | 137.2 | -179.4 | -168.8 | -98.9 | 0 | 0 | 0 | 112.3 | T93 V94 F95 I99 S100 Q101 | T93-H97 PolarHBondContact O-N 2.93Å; V94-H97 WeakPolarHBondContact O-CB 3.14Å; V94-H97 PolarHBondContact O-N 2.88Å; F95-H97 VanDerWaalsContact C-N 3.27Å; F95-H97 PolarHBondContact O-N 2.85Å; H97-I99 PolarHBondContact ND1-N 3.3Å; H97-I99 PolarHBondContact O-N 3.44Å; H97-I99 VanDerWaalsContact O-N 3.07Å; H97-S100 WeakPolarHBondContact O-CB 3.21Å; H97-S100 PolarHBondContact O-N 3.4Å; H97-Q101 PolarHBondContact O-N 3.16Å |
| 98 | P | 94.1 | Very high | 93.3 | Very high | 77 Ų | 77 | 74.3 Ų | 74.3 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.8 | -30.9 | -174.6 | -29.3 | 35.6 | 0 | 0 | 0 | 115.2 | R102 | P98-R102 WeakPolarHBondContact O-CB 3.38Å; P98-R102 WeakPolarHBondContact O-CG 3.27Å; P98-R102 PolarHBondContact O-N 3.18Å; P98-R102 PolarHBondContact O-NE 3.32Å |
| 99 | I | 91.4 | Very high | 93.2 | Very high | 106 Ų | 106 | 70.9 Ų | 70.9 | 54% | 0.544 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 176.1 | -60.8 | 176.8 | 0 | 0 | 0 | 110.5 | H97 R102 A103 | H97-I99 PolarHBondContact ND1-N 3.3Å; H97-I99 PolarHBondContact O-N 3.44Å; H97-I99 VanDerWaalsContact O-N 3.07Å; I99-R102 PolarHBondContact O-N 3.05Å; I99-A103 PolarHBondContact O-N 3.38Å |
| 100 | S | 91 | Very high | 93 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | V94 F95 H97 R102 A103 I104 | V94-S100 VanDerWaalsContact O-CB 3.29Å; V94-S100 WeakPolarHBondContact O-CB 3.45Å; V94-S100 PolarHBondContact O-OG 2.97Å; F95-S100 WeakPolarHBondContact O-CB 3.32Å; H97-S100 WeakPolarHBondContact O-CB 3.21Å; H97-S100 PolarHBondContact O-N 3.4Å; S100-R102 PolarHBondContact O-N 3.03Å; S100-A103 PolarHBondContact O-N 3.34Å; S100-I104 WeakPolarHBondContact O-CB 3.49Å; S100-I104 WeakPolarHBondContact O-CD1 3.26Å; S100-I104 WeakPolarHBondContact O-CG1 3.13Å; S100-I104 PolarHBondContact O-N 2.89Å |
| 101 | Q | 93.3 | Very high | 92.8 | Very high | 72 Ų | 72 | 64.5 Ų | 64.5 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.4 | -68.4 | -59.1 | -33.7 | 0 | 0 | 112.7 | F95 H97 A103 I104 A105 | F95-Q101 PolarHBondContact O-NE2 2.89Å; H97-Q101 PolarHBondContact O-N 3.16Å; Q101-A103 PolarHBondContact O-N 3.43Å; Q101-I104 PolarHBondContact O-N 3.49Å; Q101-A105 WeakPolarHBondContact O-CB 3.28Å; Q101-A105 PolarHBondContact O-N 3.43Å |
| 102 | R | 92.6 | Very high | 92.6 | Very high | 167 Ų | 167 | 63.6 Ų | 63.6 | 63% | 0.63 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -44.4 | 172.9 | -80.6 | -178.2 | -89.3 | 162.6 | -13.6 | 112.1 | P98 I99 S100 A105 A106 | P98-R102 WeakPolarHBondContact O-CB 3.38Å; P98-R102 WeakPolarHBondContact O-CG 3.27Å; P98-R102 PolarHBondContact O-N 3.18Å; P98-R102 PolarHBondContact O-NE 3.32Å; I99-R102 PolarHBondContact O-N 3.05Å; S100-R102 PolarHBondContact O-N 3.03Å; R102-A105 PolarHBondContact O-N 3.2Å; R102-A106 WeakPolarHBondContact O-CB 3.28Å; R102-A106 PolarHBondContact O-N 3.29Å |
| 103 | A | 90.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P22 F80 I99 S100 Q101 A106 L107 | P22-A103 HydrophobicContact CG-CB 4.3Å; F80-A103 HydrophobicContact CE2-CB 4.27Å; F80-A103 HydrophobicContact CZ-CB 4.26Å; I99-A103 PolarHBondContact O-N 3.38Å; S100-A103 PolarHBondContact O-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.43Å; A103-A106 PolarHBondContact O-N 2.96Å; A103-L107 WeakPolarHBondContact O-CB 3.26Å; A103-L107 VanDerWaalsContact O-CG 3.3Å; A103-L107 WeakPolarHBondContact O-CG 3.39Å; A103-L107 PolarHBondContact O-N 3.49Å |
| 104 | I | 92.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 176.6 | -68.8 | 161.7 | 0 | 0 | 0 | 110.6 | L77 F80 F95 S100 Q101 L107 K108 L116 | L77-I104 HydrophobicContact CD2-CB 4.45Å; L77-I104 HydrophobicContact CD2-CG1 4.4Å; L77-I104 HydrophobicContact CD2-CG2 4.2Å; F80-I104 HydrophobicContact CB-CD1 3.91Å; F80-I104 HydrophobicContact CB-CG1 3.97Å; F80-I104 HydrophobicContact CD1-CD1 3.99Å; F80-I104 HydrophobicContact CD1-CG1 4.2Å; F80-I104 HydrophobicContact CD2-CD1 4.31Å; F80-I104 HydrophobicContact CD2-CG1 3.65Å; F80-I104 HydrophobicContact CE2-CG1 4.13Å; F80-I104 HydrophobicContact CG-CD1 3.83Å; F80-I104 HydrophobicContact CG-CG1 3.69Å; F95-I104 HydrophobicContact CD2-CD1 3.92Å; F95-I104 HydrophobicContact CE2-CD1 3.52Å; F95-I104 HydrophobicContact CZ-CD1 4.25Å; S100-I104 WeakPolarHBondContact O-CB 3.49Å; S100-I104 WeakPolarHBondContact O-CD1 3.26Å; S100-I104 WeakPolarHBondContact O-CG1 3.13Å; S100-I104 PolarHBondContact O-N 2.89Å; Q101-I104 PolarHBondContact O-N 3.49Å; I104-L107 PolarHBondContact O-N 3.11Å; I104-K108 HydrophobicContact CG2-CD 4.03Å; I104-K108 HydrophobicContact CG2-CG 4.25Å; I104-K108 VanDerWaalsContact O-CB 3.31Å; I104-K108 WeakPolarHBondContact O-CB 3.2Å; I104-K108 VanDerWaalsContact O-CG 3.31Å; I104-K108 WeakPolarHBondContact O-CG 3.2Å; I104-K108 PolarHBondContact O-N 3.14Å; I104-L116 HydrophobicContact CG2-CD2 4.06Å |
| 105 | A | 92.9 | Very high | 92 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q101 R102 L107 K108 S109 | Q101-A105 WeakPolarHBondContact O-CB 3.28Å; Q101-A105 PolarHBondContact O-N 3.43Å; R102-A105 PolarHBondContact O-N 3.2Å; A105-L107 PolarHBondContact O-N 3.28Å; A105-K108 PolarHBondContact O-N 3.24Å; A105-S109 PolarHBondContact O-N 3.24Å |
| 106 | A | 91.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 63 Ų | 63 | 24% | 0.24 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R102 A103 S109 Q110 | R102-A106 WeakPolarHBondContact O-CB 3.28Å; R102-A106 PolarHBondContact O-N 3.29Å; A103-A106 PolarHBondContact O-N 2.96Å; A106-S109 PolarHBondContact O-N 3.38Å; A106-Q110 WeakPolarHBondContact O-CG 3.39Å; A106-Q110 PolarHBondContact O-N 3.31Å |
| 107 | L | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 178.9 | -76.6 | 176.7 | 0 | 0 | 0 | 112.9 | P22 R73 T76 L77 A103 I104 A105 S109 Q110 L111 | P22-L107 HydrophobicContact CB-CD1 3.73Å; P22-L107 HydrophobicContact CB-CD2 3.85Å; P22-L107 HydrophobicContact CB-CG 4.05Å; P22-L107 HydrophobicContact CG-CD1 3.98Å; P22-L107 HydrophobicContact CG-CG 4.43Å; R73-L107 HydrophobicContact CB-CD2 3.82Å; R73-L107 HydrophobicContact CG-CD2 3.54Å; T76-L107 HydrophobicContact CG2-CD1 4Å; L77-L107 HydrophobicContact CD1-CB 4.01Å; L77-L107 HydrophobicContact CD2-CB 3.65Å; L77-L107 HydrophobicContact CD2-CD1 3.84Å; L77-L107 HydrophobicContact CD2-CG 4.41Å; L77-L107 HydrophobicContact CG-CB 3.79Å; L77-L107 HydrophobicContact CG-CD1 3.88Å; L77-L107 HydrophobicContact CG-CG 4.45Å; A103-L107 WeakPolarHBondContact O-CB 3.26Å; A103-L107 VanDerWaalsContact O-CG 3.3Å; A103-L107 WeakPolarHBondContact O-CG 3.39Å; A103-L107 PolarHBondContact O-N 3.49Å; I104-L107 PolarHBondContact O-N 3.11Å; A105-L107 PolarHBondContact O-N 3.28Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-Q110 PolarHBondContact O-N 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.32Å; L107-L111 PolarHBondContact O-N 3.39Å |
| 108 | K | 93.2 | Very high | 91.7 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 173.4 | -85.1 | -179.2 | 177.3 | -173.7 | 0 | 111.3 | I104 A105 L111 G112 V113 Q114 | I104-K108 HydrophobicContact CG2-CD 4.03Å; I104-K108 HydrophobicContact CG2-CG 4.25Å; I104-K108 VanDerWaalsContact O-CB 3.31Å; I104-K108 WeakPolarHBondContact O-CB 3.2Å; I104-K108 VanDerWaalsContact O-CG 3.31Å; I104-K108 WeakPolarHBondContact O-CG 3.2Å; I104-K108 PolarHBondContact O-N 3.14Å; A105-K108 PolarHBondContact O-N 3.24Å; K108-L111 CarbonylContact O-C 3.59Å; K108-L111 PolarHBondContact O-N 2.92Å; K108-G112 WeakPolarHBondContact O-CA 3.32Å; K108-G112 PolarHBondContact O-N 3.37Å; K108-V113 VanDerWaalsContact CB-O 3.28Å; K108-V113 WeakPolarHBondContact CB-O 3.23Å; K108-V113 PolarHBondContact O-N 2.9Å; K108-Q114 PolarHBondContact NZ-O 2.88Å |
| 109 | S | 92.4 | Very high | 91.7 | Very high | 98 Ų | 98 | 63 Ų | 63 | 69% | 0.685 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.8 | -50.6 | 177 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | A105 A106 L107 L111 G112 | A105-S109 PolarHBondContact O-N 3.24Å; A106-S109 PolarHBondContact O-N 3.38Å; L107-S109 VanDerWaalsContact C-N 3.34Å; S109-L111 VanDerWaalsContact C-N 3.27Å; S109-L111 PolarHBondContact O-N 3.12Å; S109-G112 PolarHBondContact O-N 3.02Å |
| 110 | Q | 90.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -34 | 178.9 | -72.2 | 176 | -7.7 | 0 | 0 | 113.7 | A106 L107 | A106-Q110 WeakPolarHBondContact O-CG 3.39Å; A106-Q110 PolarHBondContact O-N 3.31Å; L107-Q110 PolarHBondContact O-N 3.24Å |
| 111 | L | 90.6 | Very high | 92 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.1 | 176.7 | -68.8 | 174.6 | 0 | 0 | 0 | 113 | R73 I74 L77 L107 K108 S109 V113 R127 L128 | R73-L111 HydrophobicContact CB-CD1 4.26Å; I74-L111 HydrophobicContact CG1-CD1 3.97Å; I74-L111 HydrophobicContact CG1-CD2 4.41Å; L77-L111 HydrophobicContact CD1-CD1 3.64Å; L107-L111 WeakPolarHBondContact O-CB 3.32Å; L107-L111 PolarHBondContact O-N 3.39Å; K108-L111 CarbonylContact O-C 3.59Å; K108-L111 PolarHBondContact O-N 2.92Å; S109-L111 VanDerWaalsContact C-N 3.27Å; S109-L111 PolarHBondContact O-N 3.12Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 HydrophobicContact CB-CG2 4.17Å; L111-V113 PolarHBondContact O-N 3.13Å; L111-R127 PolarHBondContact O-NH2 2.98Å; L111-L128 HydrophobicContact CD2-CD1 3.96Å |
| 112 | G | 90.8 | Very high | 92 | Very high | 44 Ų | 44 | 60 Ų | 60 | 45% | 0.454 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 48.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K108 S109 R127 | K108-G112 WeakPolarHBondContact O-CA 3.32Å; K108-G112 PolarHBondContact O-N 3.37Å; S109-G112 PolarHBondContact O-N 3.02Å; G112-R127 PolarHBondContact O-NH1 3.05Å |
| 113 | V | 92.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -121.4 | 123.6 | 179 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | K108 L111 A115 A124 | K108-V113 VanDerWaalsContact CB-O 3.28Å; K108-V113 WeakPolarHBondContact CB-O 3.23Å; K108-V113 PolarHBondContact O-N 2.9Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 HydrophobicContact CB-CG2 4.17Å; L111-V113 PolarHBondContact O-N 3.13Å; V113-A115 WeakPolarHBondContact CG1-O 3.35Å; V113-A124 HydrophobicContact CG2-CB 3.68Å | ||
| 114 | Q | 87.7 | Confident | 92.3 | Very high | 188 Ų | 188 | 53.5 Ų | 53.5 | 88% | 0.879 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -82.4 | -55 | 179.6 | -65.1 | 175.1 | -2.5 | 0 | 0 | 112 | K108 | K108-Q114 PolarHBondContact NZ-O 2.88Š|
| 115 | A | 89.5 | Confident | 92.3 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -94.6 | 132.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V113 T117 T120 | V113-A115 WeakPolarHBondContact CG1-O 3.35Å; A115-T117 PolarHBondContact O-N 3.32Å; A115-T120 HydrophobicContact CB-CG2 4.49Å; A115-T120 WeakPolarHBondContact O-CB 3.35Å; A115-T120 PolarHBondContact O-OG1 2.78Å |
| 116 | L | 90.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | trans | -87.3 | 97.2 | 176.1 | -170.8 | 66 | 0 | 0 | 0 | 110.1 | L77 L81 F95 I104 L121 | L77-L116 HydrophobicContact CB-CD1 4.1Å; L77-L116 HydrophobicContact CD1-CD1 4.2Å; L77-L116 HydrophobicContact CD2-CD1 3.96Å; L77-L116 HydrophobicContact CG-CD1 4.33Å; L81-L116 HydrophobicContact CB-CD2 4.33Å; L81-L116 HydrophobicContact CB-CG 4.38Å; L81-L116 HydrophobicContact CD1-CD2 4.23Å; L81-L116 HydrophobicContact CD1-CG 4Å; F95-L116 HydrophobicContact CE2-CD2 4.18Å; F95-L116 HydrophobicContact CZ-CD2 4.49Å; I104-L116 HydrophobicContact CG2-CD2 4.06Å; L116-L121 HydrophobicContact CD1-CD1 4.28Å; L116-L121 HydrophobicContact CD1-CD2 4.19Å; L116-L121 HydrophobicContact CD1-CG 4.37Å | ||
| 117 | T | 93.7 | Very high | 92.4 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | trans | -138.6 | 160.4 | 174.6 | 68.4 | 0 | 0 | 0 | 0 | 109.6 | L81 A115 K119 T120 L121 | L81-T117 VanDerWaalsContact CD2-C 3.46Å; A115-T117 PolarHBondContact O-N 3.32Å; T117-K119 PolarHBondContact O-N 3.33Å; T117-T120 PolarHBondContact N-OG1 3.22Å; T117-T120 PolarHBondContact O-N 3.23Å; T117-T120 PolarHBondContact O-OG1 2.98Å; T117-T120 VanDerWaalsContact OG1-CG2 3.29Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.42Å; T117-T120 PolarHBondContact OG1-N 2.89Å; T117-T120 VanDerWaalsContact OG1-N 3.09Å; T117-T120 PolarHBondContact OG1-OG1 2.85Å; T117-L121 WeakPolarHBondContact O-CG 3.33Å; T117-L121 PolarHBondContact O-N 3.22Å | ||
| 118 | F | 93.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 177.1 | -62.1 | -66.2 | 0 | 0 | 0 | 111.6 | W78 L81 Y85 N122 | W78-F118 AromaticContact CD1-CD1 3.4Å; W78-F118 AromaticContact CD1-CE1 3.29Å; W78-F118 AromaticContact NE1-CD1 3.12Å; W78-F118 AromaticContact NE1-CE1 3.14Å; L81-F118 HydrophobicContact CB-CE1 4.24Å; L81-F118 HydrophobicContact CD2-CB 4.38Å; L81-F118 HydrophobicContact CD2-CD1 3.35Å; L81-F118 HydrophobicContact CD2-CD2 3.99Å; L81-F118 HydrophobicContact CD2-CE1 3.46Å; L81-F118 VanDerWaalsContact CD2-CE1 3.46Å; L81-F118 HydrophobicContact CD2-CE2 4.07Å; L81-F118 HydrophobicContact CD2-CG 3.64Å; L81-F118 HydrophobicContact CD2-CZ 3.83Å; L81-F118 VanDerWaalsContact CD2-N 3.33Å; L81-F118 HydrophobicContact CG-CD1 4.17Å; L81-F118 HydrophobicContact CG-CE1 3.75Å; L81-F118 HydrophobicContact CG-CE2 4.17Å; L81-F118 HydrophobicContact CG-CZ 3.75Å; Y85-F118 AromaticContact CD2-CE2 3.63Å; Y85-F118 HydrophobicContact CD2-CE2 3.63Å; Y85-F118 AromaticContact CD2-CZ 3.82Å; Y85-F118 HydrophobicContact CD2-CZ 3.82Å; Y85-F118 HydrophobicContact CE2-CD2 4.25Å; Y85-F118 AromaticContact CE2-CE2 3.49Å; Y85-F118 HydrophobicContact CE2-CE2 3.49Å; Y85-F118 VanDerWaalsContact CE2-CE2 3.49Å; Y85-F118 HydrophobicContact CE2-CZ 4.01Å; F118-N122 WeakPolarHBondContact O-CB 3.32Å; F118-N122 PolarHBondContact O-N 3.46Å; F118-N122 PolarHBondContact O-ND2 3.45Å |
| 119 | K | 94.2 | Very high | 92.3 | Very high | 171 Ų | 171 | 68.4 Ų | 68.4 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 177.4 | -170.8 | 177.8 | 179.8 | -179.2 | 0 | 111.6 | T117 N122 A123 | T117-K119 PolarHBondContact O-N 3.33Å; K119-N122 PolarHBondContact O-N 2.89Å; K119-A123 WeakPolarHBondContact O-CB 3.49Å; K119-A123 PolarHBondContact O-N 3.44Å |
| 120 | T | 94.3 | Very high | 92.3 | Very high | 40 Ų | 40 | 69.9 Ų | 69.9 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | A115 T117 A123 A124 | A115-T120 HydrophobicContact CB-CG2 4.49Å; A115-T120 WeakPolarHBondContact O-CB 3.35Å; A115-T120 PolarHBondContact O-OG1 2.78Å; T117-T120 PolarHBondContact N-OG1 3.22Å; T117-T120 PolarHBondContact O-N 3.23Å; T117-T120 PolarHBondContact O-OG1 2.98Å; T117-T120 VanDerWaalsContact OG1-CG2 3.29Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.42Å; T117-T120 PolarHBondContact OG1-N 2.89Å; T117-T120 VanDerWaalsContact OG1-N 3.09Å; T117-T120 PolarHBondContact OG1-OG1 2.85Å; T120-A123 PolarHBondContact O-N 3.35Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 3.15Å |
| 121 | L | 93.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 173.4 | -69.3 | 177.7 | 0 | 0 | 0 | 112.2 | L77 W78 L81 L116 T117 A123 A124 K125 | L77-L121 HydrophobicContact CB-CD1 4.23Å; L77-L121 HydrophobicContact CB-CD2 3.86Å; L77-L121 HydrophobicContact CD1-CD2 3.64Å; L77-L121 HydrophobicContact CG-CD2 4.43Å; W78-L121 HydrophobicContact CB-CD1 4.32Å; L81-L121 HydrophobicContact CD2-CD1 4.13Å; L116-L121 HydrophobicContact CD1-CD1 4.28Å; L116-L121 HydrophobicContact CD1-CD2 4.19Å; L116-L121 HydrophobicContact CD1-CG 4.37Å; T117-L121 WeakPolarHBondContact O-CG 3.33Å; T117-L121 PolarHBondContact O-N 3.22Å; L121-A123 VanDerWaalsContact C-N 3.34Å; L121-A123 PolarHBondContact O-N 3.44Å; L121-A124 PolarHBondContact O-N 2.94Å; L121-K125 PolarHBondContact O-N 3.42Å |
| 122 | N | 94.5 | Very high | 92.4 | Very high | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 175 | -78.6 | -31.6 | 0 | 0 | 0 | 112.2 | F118 K119 K125 R126 | F118-N122 WeakPolarHBondContact O-CB 3.32Å; F118-N122 PolarHBondContact O-N 3.46Å; F118-N122 PolarHBondContact O-ND2 3.45Å; K119-N122 PolarHBondContact O-N 2.89Å; N122-K125 PolarHBondContact O-N 3.44Å; N122-R126 WeakPolarHBondContact O-CG 3.32Å; N122-R126 PolarHBondContact O-N 2.98Å; N122-R126 VanDerWaalsContact O-N 3.08Å |
| 123 | A | 94.3 | Very high | 92.5 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K119 T120 L121 K125 R126 R127 | K119-A123 WeakPolarHBondContact O-CB 3.49Å; K119-A123 PolarHBondContact O-N 3.44Å; T120-A123 PolarHBondContact O-N 3.35Å; L121-A123 VanDerWaalsContact C-N 3.34Å; L121-A123 PolarHBondContact O-N 3.44Å; A123-K125 PolarHBondContact O-N 3.46Å; A123-R126 PolarHBondContact O-N 3.17Å; A123-R127 WeakPolarHBondContact O-CB 3.39Å; A123-R127 PolarHBondContact O-N 3.12Å |
| 124 | A | 93.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 74.2 Ų | 74.2 | 3% | 0.025 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V113 T120 L121 R126 R127 L128 | V113-A124 HydrophobicContact CG2-CB 3.68Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 3.15Å; L121-A124 PolarHBondContact O-N 2.94Å; A124-R126 VanDerWaalsContact C-N 3.34Å; A124-R126 PolarHBondContact O-N 3.42Å; A124-R127 PolarHBondContact O-N 2.81Å; A124-L128 WeakPolarHBondContact O-CG 3.45Å; A124-L128 PolarHBondContact O-N 3.14Å |
| 125 | K | 92.9 | Very high | 92.6 | Very high | 133 Ų | 133 | 70.3 Ų | 70.3 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.7 | -45.8 | 173.5 | -175.2 | -176.6 | 176.2 | -175.7 | 0 | 111.9 | I74 L121 N122 A123 A129 | I74-K125 HydrophobicContact CD1-CB 4.1Å; I74-K125 HydrophobicContact CD1-CG 4.45Å; L121-K125 PolarHBondContact O-N 3.42Å; N122-K125 PolarHBondContact O-N 3.44Å; A123-K125 PolarHBondContact O-N 3.46Å; K125-A129 PolarHBondContact O-N 3.47Å; K125-A129 VanDerWaalsContact O-N 3.11Å |
| 126 | R | 92.7 | Very high | 92.6 | Very high | 157 Ų | 157 | 67.8 Ų | 67.8 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 176.3 | -72.7 | -173.1 | -67.8 | -101 | 1.4 | 112.1 | N122 A123 A124 A129 K130 | N122-R126 WeakPolarHBondContact O-CG 3.32Å; N122-R126 PolarHBondContact O-N 2.98Å; N122-R126 VanDerWaalsContact O-N 3.08Å; A123-R126 PolarHBondContact O-N 3.17Å; A124-R126 VanDerWaalsContact C-N 3.34Å; A124-R126 PolarHBondContact O-N 3.42Å; R126-A129 PolarHBondContact O-N 3.1Å; R126-K130 PolarHBondContact O-N 3.38Å |
| 127 | R | 94 | Very high | 92.6 | Very high | 107 Ų | 107 | 68.5 Ų | 68.5 | 40% | 0.404 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.5 | -167.9 | -179.9 | 73.3 | -160.8 | -0.1 | 111.5 | L111 G112 A123 A124 K130 Q131 | L111-R127 PolarHBondContact O-NH2 2.98Å; G112-R127 PolarHBondContact O-NH1 3.05Å; A123-R127 WeakPolarHBondContact O-CB 3.39Å; A123-R127 PolarHBondContact O-N 3.12Å; A124-R127 PolarHBondContact O-N 2.81Å; R127-K130 PolarHBondContact O-N 3.16Å; R127-Q131 WeakPolarHBondContact O-CG 3.45Å; R127-Q131 PolarHBondContact O-N 3.34Å |
| 128 | L | 92.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.1 | -71.5 | 171.6 | 0 | 0 | 0 | 111.8 | N70 I74 L111 A124 K130 Q131 L132 | N70-L128 HydrophobicContact CB-CD1 4.13Å; I74-L128 HydrophobicContact CD1-CD1 4.16Å; L111-L128 HydrophobicContact CD2-CD1 3.96Å; A124-L128 WeakPolarHBondContact O-CG 3.45Å; A124-L128 PolarHBondContact O-N 3.14Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 3.4Å; L128-Q131 PolarHBondContact O-N 3.08Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.9Å |
| 129 | A | 91.1 | Very high | 92 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K125 R126 L132 E133 | K125-A129 PolarHBondContact O-N 3.47Å; K125-A129 VanDerWaalsContact O-N 3.11Å; R126-A129 PolarHBondContact O-N 3.1Å; A129-L132 PolarHBondContact O-N 3.36Å; A129-E133 PolarHBondContact O-N 2.95Å |
| 130 | K | 92.6 | Very high | 91.5 | Very high | 128 Ų | 128 | 69.8 Ų | 69.8 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 176.4 | -171.5 | 179.3 | 179.9 | -175.2 | 0 | 112.5 | R126 R127 L128 L132 E133 E134 | R126-K130 PolarHBondContact O-N 3.38Å; R127-K130 PolarHBondContact O-N 3.16Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 3.4Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.31Å; K130-E133 WeakPolarHBondContact O-CB 3.41Å; K130-E133 PolarHBondContact O-N 3.41Å; K130-E134 WeakPolarHBondContact CE-OE1 3.16Å; K130-E134 WeakPolarHBondContact O-CG 3.5Å; K130-E134 PolarHBondContact O-N 3.26Å |
| 131 | Q | 92.5 | Very high | 91 | Very high | 84 Ų | 84 | 69.1 Ų | 69.1 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176 | -76.3 | 175.9 | -32.8 | 0 | 0 | 112 | R127 L128 E133 E134 Q135 | R127-Q131 WeakPolarHBondContact O-CG 3.45Å; R127-Q131 PolarHBondContact O-N 3.34Å; L128-Q131 PolarHBondContact O-N 3.08Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E134 PolarHBondContact O-N 3.2Å; Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 VanDerWaalsContact O-CG 3.23Å; Q131-Q135 WeakPolarHBondContact O-CG 3.22Å; Q131-Q135 PolarHBondContact O-N 2.76Å |
| 132 | L | 90.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 68.9 Ų | 68.9 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.3 | -68.1 | 171.9 | 0 | 0 | 0 | 111.3 | P52 H55 L128 A129 K130 Q135 L136 | P52-L132 HydrophobicContact CB-CB 4.3Å; P52-L132 HydrophobicContact CB-CD2 4.18Å; P52-L132 WeakPolarHBondContact CB-O 3Å; P52-L132 HydrophobicContact CG-CD2 4.03Å; H55-L132 HydrophobicContact CB-CD1 3.92Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.9Å; A129-L132 PolarHBondContact O-N 3.36Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-L132 PolarHBondContact O-N 3.31Å; L132-Q135 PolarHBondContact O-N 3.14Å; L132-L136 VanDerWaalsContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CB 3.5Å; L132-L136 PolarHBondContact O-N 3.29Å |
| 133 | E | 91.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 175.8 | -173.5 | -176.3 | 154.5 | 0 | 0 | 111.7 | L56 A129 K130 Q131 Q135 L136 H137 I149 | L56-E133 HydrophobicContact CD1-CB 3.9Å; A129-E133 PolarHBondContact O-N 2.95Å; K130-E133 WeakPolarHBondContact O-CB 3.41Å; K130-E133 PolarHBondContact O-N 3.41Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; E133-Q135 PolarHBondContact O-N 3.08Å; E133-L136 WeakPolarHBondContact O-CB 3.22Å; E133-L136 PolarHBondContact O-N 3.47Å; E133-H137 WeakPolarHBondContact CG-CE1 3.44Å; E133-H137 VanDerWaalsContact O-CG 3.32Å; E133-H137 PolarHBondContact O-N 3.45Å; E133-H137 PolarHBondContact O-ND1 3.05Å; E133-H137 IonicContact OE1-CE1 2.59Å; E133-I149 VanDerWaalsContact OE1-CD1 3.3Å; E133-I149 WeakPolarHBondContact OE1-CD1 3.43Å |
| 134 | E | 91.6 | Very high | 89.9 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.7 | -71.6 | 171.3 | -170.4 | 0 | 0 | 112 | K130 Q131 L136 H137 K138 | K130-E134 WeakPolarHBondContact CE-OE1 3.16Å; K130-E134 WeakPolarHBondContact O-CG 3.5Å; K130-E134 PolarHBondContact O-N 3.26Å; Q131-E134 PolarHBondContact O-N 3.2Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 2.92Å; E134-H137 PolarHBondContact O-N 2.97Å; E134-K138 VanDerWaalsContact O-CG 3.32Å; E134-K138 WeakPolarHBondContact O-CG 3.31Å; E134-K138 PolarHBondContact O-N 3.46Å; E134-K138 VanDerWaalsContact O-N 3.14Å |
| 135 | Q | 90.7 | Very high | 89.6 | Confident | 106 Ų | 106 | 79.4 Ų | 79.4 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 175.5 | -76.8 | 178 | -8 | 0 | 0 | 111.6 | P52 Q131 L132 E133 T139 | P52-Q135 HydrophobicContact CG-CB 3.93Å; Q131-Q135 WeakPolarHBondContact O-CB 3.42Å; Q131-Q135 VanDerWaalsContact O-CG 3.23Å; Q131-Q135 WeakPolarHBondContact O-CG 3.22Å; Q131-Q135 PolarHBondContact O-N 2.76Å; L132-Q135 PolarHBondContact O-N 3.14Å; E133-Q135 PolarHBondContact O-N 3.08Å; Q135-T139 WeakPolarHBondContact O-CG2 3.22Å |
| 136 | L | 90.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 178.5 | -178.2 | 58.2 | 0 | 0 | 0 | 111.1 | T50 P52 F53 L56 L132 E133 E134 K138 T139 G142 L145 | T50-L136 HydrophobicContact CG2-CD1 4.22Å; P52-L136 HydrophobicContact CB-CB 3.95Å; F53-L136 HydrophobicContact CB-CD1 3.83Å; F53-L136 HydrophobicContact CB-CD2 4.35Å; F53-L136 HydrophobicContact CD2-CD2 4.4Å; L56-L136 HydrophobicContact CD2-CD2 3.72Å; L132-L136 VanDerWaalsContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CB 3.5Å; L132-L136 PolarHBondContact O-N 3.29Å; E133-L136 WeakPolarHBondContact O-CB 3.22Å; E133-L136 PolarHBondContact O-N 3.47Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 2.92Å; L136-K138 VanDerWaalsContact C-N 3.29Å; L136-K138 PolarHBondContact O-N 2.99Å; L136-T139 WeakPolarHBondContact O-CB 3.09Å; L136-T139 PolarHBondContact O-N 3.49Å; L136-T139 PolarHBondContact O-OG1 3.27Å; L136-G142 VanDerWaalsContact O-CA 3.28Å; L136-G142 WeakPolarHBondContact O-CA 3.35Å; L136-L145 HydrophobicContact CD1-CD1 4.35Å; L136-L145 HydrophobicContact CD2-CD1 3.93Å; L136-L145 HydrophobicContact CG-CD1 4.34Å |
| 137 | H | 89.7 | Confident | 89.2 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 18% | 0.181 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.3 | -24.6 | -175.5 | -62.7 | 158.9 | 0 | 0 | 0 | 113.9 | E133 E134 T139 G142 R143 | E133-H137 WeakPolarHBondContact CG-CE1 3.44Å; E133-H137 VanDerWaalsContact O-CG 3.32Å; E133-H137 PolarHBondContact O-N 3.45Å; E133-H137 PolarHBondContact O-ND1 3.05Å; E133-H137 IonicContact OE1-CE1 2.59Å; E134-H137 PolarHBondContact O-N 2.97Å; H137-T139 PolarHBondContact O-N 2.74Å; H137-G142 PolarHBondContact CD2-O 2.67Å; H137-R143 WeakPolarHBondContact O-CA 3.33Å |
| 138 | K | 89.1 | Confident | 89 | Confident | 176 Ų | 176 | 72.8 Ų | 72.8 | 77% | 0.765 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.8 | -21 | 169.7 | -74.1 | 173.9 | -178.3 | -179.5 | 0 | 113 | E134 L136 | E134-K138 VanDerWaalsContact O-CG 3.32Å; E134-K138 WeakPolarHBondContact O-CG 3.31Å; E134-K138 PolarHBondContact O-N 3.46Å; E134-K138 VanDerWaalsContact O-N 3.14Å; L136-K138 VanDerWaalsContact C-N 3.29Å; L136-K138 PolarHBondContact O-N 2.99Å |
| 139 | T | 86.9 | Confident | 88.8 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -86.3 | 149.3 | 179.9 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | T50 Q135 L136 H137 Q141 G142 R143 | T50-T139 HydrophobicContact CG2-CG2 3.68Å; Q135-T139 WeakPolarHBondContact O-CG2 3.22Å; L136-T139 WeakPolarHBondContact O-CB 3.09Å; L136-T139 PolarHBondContact O-N 3.49Å; L136-T139 PolarHBondContact O-OG1 3.27Å; H137-T139 PolarHBondContact O-N 2.74Å; T139-Q141 PolarHBondContact O-N 3.45Å; T139-Q141 VanDerWaalsContact O-N 3.14Å; T139-G142 PolarHBondContact O-N 2.83Å; T139-G142 VanDerWaalsContact O-N 3.11Å; T139-G142 PolarHBondContact OG1-N 3.22Å; T139-G142 VanDerWaalsContact OG1-N 3.08Å; T139-R143 WeakPolarHBondContact O-CB 3.48Å; T139-R143 PolarHBondContact O-N 2.84Å |
| 140 | N | 82.6 | Confident | 88.6 | Confident | 109 Ų | 109 | 77.2 Ų | 77.2 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.4 | 173.3 | -75.3 | -33.3 | 0 | 0 | 0 | 113.9 | ||
| 141 | Q | 84.3 | Confident | 88.5 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -38 | 176.8 | -66.9 | 171.2 | 24.8 | 0 | 0 | 111.5 | T139 T176 | T139-Q141 PolarHBondContact O-N 3.45Å; T139-Q141 VanDerWaalsContact O-N 3.14Å; Q141-T176 WeakPolarHBondContact CB-O 3.34Å; Q141-T176 WeakPolarHBondContact CG-O 3.42Å |
| 142 | G | 86.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -13.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L136 H137 T139 R144 L145 | L136-G142 VanDerWaalsContact O-CA 3.28Å; L136-G142 WeakPolarHBondContact O-CA 3.35Å; H137-G142 PolarHBondContact CD2-O 2.67Å; T139-G142 PolarHBondContact O-N 2.83Å; T139-G142 VanDerWaalsContact O-N 3.11Å; T139-G142 PolarHBondContact OG1-N 3.22Å; T139-G142 VanDerWaalsContact OG1-N 3.08Å; G142-R144 PolarHBondContact O-N 2.91Å; G142-R144 VanDerWaalsContact O-N 3.13Å; G142-L145 WeakPolarHBondContact O-CA 3.39Å; G142-L145 VanDerWaalsContact O-CB 3.29Å; G142-L145 WeakPolarHBondContact O-CB 3.46Å; G142-L145 PolarHBondContact O-N 2.89Å |
| 143 | R | 87.5 | Confident | 88.2 | Confident | 178 Ų | 178 | 82.1 Ų | 82.1 | 67% | 0.672 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -53.9 | -38.4 | -177 | -174.4 | 174.8 | -179.2 | 177.5 | 1.3 | 113.4 | H137 T139 L145 | H137-R143 WeakPolarHBondContact O-CA 3.33Å; T139-R143 WeakPolarHBondContact O-CB 3.48Å; T139-R143 PolarHBondContact O-N 2.84Å; R143-L145 VanDerWaalsContact C-N 3.34Å |
| 144 | R | 85 | Confident | 88 | Confident | 170 Ų | 170 | 82.3 Ų | 82.3 | 64% | 0.642 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -84.3 | -8 | 177.8 | -55.5 | -171.6 | 86.8 | -172.5 | 7.5 | 113.3 | G142 A146 F147 | G142-R144 PolarHBondContact O-N 2.91Å; G142-R144 VanDerWaalsContact O-N 3.13Å; R144-A146 VanDerWaalsContact C-N 3.26Å; R144-F147 WeakPolarHBondContact O-CD2 3.48Å |
| 145 | L | 88.3 | Confident | 88 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -76.8 | -16.8 | 176 | -62.3 | 179.1 | 0 | 0 | 0 | 112.7 | F53 L136 G142 R143 F147 F148 R175 | F53-L145 HydrophobicContact CD2-CD1 3.56Å; F53-L145 HydrophobicContact CE2-CD1 3.86Å; L136-L145 HydrophobicContact CD1-CD1 4.35Å; L136-L145 HydrophobicContact CD2-CD1 3.93Å; L136-L145 HydrophobicContact CG-CD1 4.34Å; G142-L145 WeakPolarHBondContact O-CA 3.39Å; G142-L145 VanDerWaalsContact O-CB 3.29Å; G142-L145 WeakPolarHBondContact O-CB 3.46Å; G142-L145 PolarHBondContact O-N 2.89Å; R143-L145 VanDerWaalsContact C-N 3.34Å; L145-F147 PolarHBondContact O-N 3.01Å; L145-F147 VanDerWaalsContact O-N 3.15Å; L145-F148 HydrophobicContact CD2-CD2 3.83Å; L145-F148 HydrophobicContact CD2-CE2 4.12Å; L145-F148 WeakPolarHBondContact O-CB 3.29Å; L145-F148 PolarHBondContact O-N 3.47Å; L145-R175 HydrophobicContact CD2-CB 3.95Å; L145-R175 WeakPolarHBondContact CD2-O 3.39Å |
| 146 | A | 88.9 | Confident | 88 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -56.1 | -30.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R144 F148 I149 | R144-A146 VanDerWaalsContact C-N 3.26Å; A146-F148 PolarHBondContact O-N 3.45Å; A146-I149 HydrophobicContact CB-CD1 4.24Å; A146-I149 VanDerWaalsContact O-CD1 3.27Å; A146-I149 WeakPolarHBondContact O-CD1 3.47Å; A146-I149 VanDerWaalsContact O-CG1 3.26Å; A146-I149 WeakPolarHBondContact O-CG1 3.45Å; A146-I149 PolarHBondContact O-N 3.28Å |
| 147 | F | 88.6 | Confident | 87.9 | Confident | 167 Ų | 167 | 76.1 Ų | 76.1 | 73% | 0.732 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -67.5 | -15.3 | 175.4 | -64.9 | -72 | 0 | 0 | 0 | 114 | R144 L145 | R144-F147 WeakPolarHBondContact O-CD2 3.48Å; L145-F147 PolarHBondContact O-N 3.01Å; L145-F147 VanDerWaalsContact O-N 3.15Å |
| 148 | F | 88.2 | Confident | 88 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -100.7 | 2.9 | -179.9 | -59.8 | -61.9 | 0 | 0 | 0 | 113.4 | L145 A146 S150 S151 N155 R175 | L145-F148 HydrophobicContact CD2-CD2 3.83Å; L145-F148 HydrophobicContact CD2-CE2 4.12Å; L145-F148 WeakPolarHBondContact O-CB 3.29Å; L145-F148 PolarHBondContact O-N 3.47Å; A146-F148 PolarHBondContact O-N 3.45Å; F148-S150 PolarHBondContact O-N 3.18Å; F148-S151 PolarHBondContact O-N 3.31Å; F148-N155 PolarHBondContact O-ND2 3.38Å; F148-R175 HydrophobicContact CE2-CG 4.42Å |
| 149 | I | 88.8 | Confident | 87.9 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 127.7 | 176.7 | -59.8 | 161.1 | 0 | 0 | 0 | 108.7 | E133 A146 S151 | E133-I149 VanDerWaalsContact OE1-CD1 3.3Å; E133-I149 WeakPolarHBondContact OE1-CD1 3.43Å; A146-I149 HydrophobicContact CB-CD1 4.24Å; A146-I149 VanDerWaalsContact O-CD1 3.27Å; A146-I149 WeakPolarHBondContact O-CD1 3.47Å; A146-I149 VanDerWaalsContact O-CG1 3.26Å; A146-I149 WeakPolarHBondContact O-CG1 3.45Å; A146-I149 PolarHBondContact O-N 3.28Å; I149-S151 PolarHBondContact O-N 3.23Å |
| 150 | S | 86.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 64% | 0.643 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 9 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 115.7 | Q59 F148 K152 | Q59-S150 WeakPolarHBondContact O-CA 3.28Å; Q59-S150 PolarHBondContact O-N 2.87Å; F148-S150 PolarHBondContact O-N 3.18Å; S150-K152 PolarHBondContact O-N 2.88Å |
| 151 | S | 90.3 | Very high | 87.9 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | trans | -84.7 | 99.1 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | F148 I149 S154 N155 | F148-S151 PolarHBondContact O-N 3.31Å; I149-S151 PolarHBondContact O-N 3.23Å; S151-S154 WeakPolarHBondContact OG-CB 3.44Å; S151-S154 PolarHBondContact OG-N 3.23Å; S151-S154 PolarHBondContact OG-OG 3.4Å; S151-N155 VanDerWaalsContact O-CB 3.23Å; S151-N155 WeakPolarHBondContact O-CB 3.44Å; S151-N155 VanDerWaalsContact O-CG 3.24Å; S151-N155 PolarHBondContact O-N 3.43Å; S151-N155 PolarHBondContact O-ND2 3.11Å; S151-N155 VanDerWaalsContact O-ND2 3.14Å | ||
| 152 | K | 88.9 | Confident | 87.9 | Confident | 167 Ų | 167 | 77.7 Ų | 77.7 | 73% | 0.726 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | -177.8 | -175.8 | -177.1 | 177.2 | -174 | 0 | 111.7 | S150 N155 A156 | S150-K152 PolarHBondContact O-N 2.88Å; K152-N155 PolarHBondContact O-N 3.25Å; K152-A156 WeakPolarHBondContact O-CB 3.36Å; K152-A156 PolarHBondContact O-N 2.86Å |
| 153 | E | 87.7 | Confident | 88.1 | Confident | 148 Ų | 148 | 80.6 Ų | 80.6 | 69% | 0.692 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.7 | -47.9 | -176.5 | -58.6 | 69.6 | -150.3 | 0 | 0 | 110 | N155 A156 | E153-N155 VanDerWaalsContact C-N 3.31Å; E153-N155 PolarHBondContact O-N 3.38Å; E153-A156 PolarHBondContact O-N 2.92Å |
| 154 | S | 87.2 | Confident | 88.3 | Confident | 43 Ų | 43 | 76.6 Ų | 76.6 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | S151 C157 R175 | S151-S154 WeakPolarHBondContact OG-CB 3.44Å; S151-S154 PolarHBondContact OG-N 3.23Å; S151-S154 PolarHBondContact OG-OG 3.4Å; S154-C157 PolarHBondContact O-SG 2.92Å; S154-R175 PolarHBondContact O-NH2 3.01Å |
| 155 | N | 92.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -84.2 | -10.5 | -174.2 | -67.7 | -27 | 0 | 0 | 0 | 114.8 | T58 Q59 G61 F148 S151 K152 E153 C157 L158 R175 | T58-N155 HydrophobicContact CG2-CB 4.48Å; T58-N155 VanDerWaalsContact O-CB 3.27Å; T58-N155 WeakPolarHBondContact O-CB 3.48Å; T58-N155 PolarHBondContact O-ND2 2.92Å; Q59-N155 PolarHBondContact O-ND2 2.99Å; Q59-N155 VanDerWaalsContact O-ND2 3.14Å; G61-N155 PolarHBondContact N-ND2 3.23Å; F148-N155 PolarHBondContact O-ND2 3.38Å; S151-N155 VanDerWaalsContact O-CB 3.23Å; S151-N155 WeakPolarHBondContact O-CB 3.44Å; S151-N155 VanDerWaalsContact O-CG 3.24Å; S151-N155 PolarHBondContact O-N 3.43Å; S151-N155 PolarHBondContact O-ND2 3.11Å; S151-N155 VanDerWaalsContact O-ND2 3.14Å; K152-N155 PolarHBondContact O-N 3.25Å; E153-N155 VanDerWaalsContact C-N 3.31Å; E153-N155 PolarHBondContact O-N 3.38Å; N155-C157 PolarHBondContact O-N 3.21Å; N155-C157 VanDerWaalsContact O-N 3.14Å; N155-L158 HydrophobicContact CB-CD1 4.12Å; N155-L158 VanDerWaalsContact O-CB 3.31Å; N155-L158 WeakPolarHBondContact O-CB 3.25Å; N155-L158 PolarHBondContact O-N 2.59Å; N155-R175 PolarHBondContact OD1-NH1 3.17Å; N155-R175 VanDerWaalsContact OD1-NH1 3.13Å |
| 156 | A | 90.3 | Very high | 88.8 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -55.1 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K152 E153 L158 V159 L162 | K152-A156 WeakPolarHBondContact O-CB 3.36Å; K152-A156 PolarHBondContact O-N 2.86Å; E153-A156 PolarHBondContact O-N 2.92Å; A156-L158 VanDerWaalsContact C-N 3.25Å; A156-L158 PolarHBondContact O-N 3.25Å; A156-V159 PolarHBondContact O-N 3.27Å; A156-L162 HydrophobicContact CB-CD1 4.16Å |
| 157 | C | 88.9 | Confident | 89 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 14% | 0.135 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -68.5 | -18.5 | 179.1 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | S154 N155 V159 G160 M163 L171 R175 | S154-C157 PolarHBondContact O-SG 2.92Å; N155-C157 PolarHBondContact O-N 3.21Å; N155-C157 VanDerWaalsContact O-N 3.14Å; C157-V159 PolarHBondContact O-N 3.3Å; C157-G160 PolarHBondContact O-N 3.27Å; C157-G160 VanDerWaalsContact O-N 3.08Å; C157-M163 HydrophobicContact CB-CE 3.56Å; C157-L171 HydrophobicContact CB-CD2 3.72Å; C157-L171 WeakPolarHBondContact SG-CD2 3.49Å; C157-R175 PolarHBondContact SG-NH2 3.26Å |
| 158 | L | 91.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -72.2 | -14.8 | 179.5 | -66 | 175.8 | 0 | 0 | 0 | 113.4 | T58 G62 N155 A156 G160 I172 R175 | T58-L158 HydrophobicContact CG2-CB 3.58Å; T58-L158 HydrophobicContact CG2-CD1 3.96Å; T58-L158 HydrophobicContact CG2-CG 4.4Å; G62-L158 WeakPolarHBondContact O-CD1 3.36Å; N155-L158 HydrophobicContact CB-CD1 4.12Å; N155-L158 VanDerWaalsContact O-CB 3.31Å; N155-L158 WeakPolarHBondContact O-CB 3.25Å; N155-L158 PolarHBondContact O-N 2.59Å; A156-L158 VanDerWaalsContact C-N 3.25Å; A156-L158 PolarHBondContact O-N 3.25Å; L158-G160 PolarHBondContact O-N 3Å; L158-I172 HydrophobicContact CD2-CD1 3.59Å; L158-R175 VanDerWaalsContact CD1-NH1 3.33Å; L158-R175 VanDerWaalsContact CG-NH1 3.28Å |
| 159 | V | 87.4 | Confident | 89.5 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -71 | -21.7 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | A156 C157 R161 | A156-V159 PolarHBondContact O-N 3.27Å; C157-V159 PolarHBondContact O-N 3.3Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 HydrophobicContact CG1-CG 4.05Å; V159-R161 PolarHBondContact O-N 2.98Å |
| 160 | G | 84.1 | Confident | 89.7 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 78.5 | 5.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C157 L158 | C157-G160 PolarHBondContact O-N 3.27Å; C157-G160 VanDerWaalsContact O-N 3.08Å; L158-G160 PolarHBondContact O-N 3Å |
| 161 | R | 85.1 | Confident | 89.9 | Confident | 189 Ų | 189 | 67.9 Ų | 67.9 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | trans | -85.9 | -13.7 | 179.7 | -66.2 | 178.6 | -173.5 | -168.6 | 0.8 | 114.3 | E7 V159 | E7-R161 IonicContact OE1-NH2 3.58Å; E7-R161 PolarHBondContact OE1-NH2 2.82Å; E7-R161 VanDerWaalsContact OE1-NH2 3.1Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 HydrophobicContact CG1-CG 4.05Å; V159-R161 PolarHBondContact O-N 2.98Å | ||
| 162 | L | 84.4 | Confident | 90 | Very high | 129 Ų | 129 | 66.5 Ų | 66.5 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -93.4 | 1.1 | -174.3 | -59.5 | 179.2 | 0 | 0 | 0 | 114 | A156 | A156-L162 HydrophobicContact CB-CD1 4.16Š|
| 163 | M | 89.4 | Confident | 90.1 | Very high | 61 Ų | 61 | 59 Ų | 59 | 30% | 0.3 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -158.9 | 167.5 | -172.8 | 65.6 | -170.6 | 65.4 | 0 | 0 | 112.7 | C157 A167 F168 L171 | C157-M163 HydrophobicContact CB-CE 3.56Å; M163-A167 HydrophobicContact CB-CB 3.86Å; M163-A167 HydrophobicContact CG-CB 4.03Å; M163-A167 VanDerWaalsContact SD-C 3.55Å; M163-A167 HydrophobicContact SD-CB 4Å; M163-F168 HydrophobicContact CG-CB 4.07Å; M163-F168 VanDerWaalsContact SD-CA 3.54Å; M163-F168 HydrophobicContact SD-CB 4.14Å; M163-F168 HydrophobicContact SD-CD2 4.5Å; M163-F168 PolarHBondContact SD-N 2.79Å; M163-F168 VanDerWaalsContact SD-N 3.44Å; M163-L171 HydrophobicContact CE-CD2 3.91Å; M163-L171 HydrophobicContact SD-CB 4.23Å; M163-L171 HydrophobicContact SD-CD2 3.94Å |
| 164 | T | 92.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 56 Ų | 56 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | trans | -65.2 | 158.6 | 174.2 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | H166 A167 F168 | T164-H166 VanDerWaalsContact C-N 3.25Å; T164-H166 PolarHBondContact O-N 2.83Å; T164-A167 PolarHBondContact O-N 3.36Å; T164-A167 VanDerWaalsContact O-N 3.16Å; T164-A167 WeakPolarHBondContact OG1-CB 3.39Å; T164-A167 PolarHBondContact OG1-N 2.68Å; T164-F168 PolarHBondContact O-N 3.41Å | ||
| 165 | G | 91.5 | Very high | 90.4 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 54% | 0.536 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.3 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F168 I169 | G165-F168 WeakPolarHBondContact O-CB 3.44Å; G165-F168 PolarHBondContact O-N 3.2Å; G165-I169 WeakPolarHBondContact O-CD1 3.25Å; G165-I169 WeakPolarHBondContact O-CG1 3.3Å; G165-I169 PolarHBondContact O-N 3.13Å |
| 166 | H | 92.6 | Very high | 90.3 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64 | -47.8 | 175.3 | -175.8 | 88.5 | 0 | 0 | 0 | 111.9 | T164 F168 I169 R170 | T164-H166 VanDerWaalsContact C-N 3.25Å; T164-H166 PolarHBondContact O-N 2.83Å; H166-F168 VanDerWaalsContact C-N 3.26Å; H166-F168 PolarHBondContact O-N 3.43Å; H166-I169 PolarHBondContact O-N 3.38Å; H166-R170 WeakPolarHBondContact O-CG 3.48Å; H166-R170 PolarHBondContact O-N 2.99Å |
| 167 | A | 92.9 | Very high | 90.2 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M163 T164 R170 L171 | M163-A167 HydrophobicContact CB-CB 3.86Å; M163-A167 HydrophobicContact CG-CB 4.03Å; M163-A167 VanDerWaalsContact SD-C 3.55Å; M163-A167 HydrophobicContact SD-CB 4Å; T164-A167 PolarHBondContact O-N 3.36Å; T164-A167 VanDerWaalsContact O-N 3.16Å; T164-A167 WeakPolarHBondContact OG1-CB 3.39Å; T164-A167 PolarHBondContact OG1-N 2.68Å; A167-R170 PolarHBondContact O-N 3.15Å; A167-L171 WeakPolarHBondContact O-CB 3.37Å; A167-L171 PolarHBondContact O-N 3Å |
| 168 | F | 93.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 174.9 | -176.8 | -103.9 | 0 | 0 | 0 | 112 | I2 L42 L63 M163 T164 G165 H166 R170 L171 I172 | I2-F168 HydrophobicContact CD1-CD1 4.5Å; I2-F168 HydrophobicContact CD1-CE1 3.79Å; L42-F168 HydrophobicContact CD2-CD1 4.15Å; L42-F168 HydrophobicContact CD2-CE1 3.9Å; L63-F168 HydrophobicContact CD1-CZ 4Å; M163-F168 HydrophobicContact CG-CB 4.07Å; M163-F168 VanDerWaalsContact SD-CA 3.54Å; M163-F168 HydrophobicContact SD-CB 4.14Å; M163-F168 HydrophobicContact SD-CD2 4.5Å; M163-F168 PolarHBondContact SD-N 2.79Å; M163-F168 VanDerWaalsContact SD-N 3.44Å; T164-F168 PolarHBondContact O-N 3.41Å; G165-F168 WeakPolarHBondContact O-CB 3.44Å; G165-F168 PolarHBondContact O-N 3.2Å; H166-F168 VanDerWaalsContact C-N 3.26Å; H166-F168 PolarHBondContact O-N 3.43Å; F168-R170 VanDerWaalsContact C-N 3.35Å; F168-R170 PolarHBondContact O-N 3.29Å; F168-L171 WeakPolarHBondContact O-CB 3.24Å; F168-L171 PolarHBondContact O-N 3.21Å; F168-I172 HydrophobicContact CD1-CG1 4.47Å; F168-I172 HydrophobicContact CE1-CG1 4.11Å; F168-I172 HydrophobicContact CE2-CD1 4.29Å; F168-I172 HydrophobicContact CE2-CG1 4.43Å; F168-I172 HydrophobicContact CZ-CD1 4.11Å; F168-I172 HydrophobicContact CZ-CG1 4.1Å; F168-I172 WeakPolarHBondContact O-CG1 3.43Å; F168-I172 PolarHBondContact O-N 2.99Å |
| 169 | I | 93.3 | Very high | 90.1 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 175.4 | -72.7 | 159.9 | 0 | 0 | 0 | 110.9 | L42 G165 H166 L171 I172 Q173 | L42-I169 HydrophobicContact CD2-CG1 4.24Å; L42-I169 WeakPolarHBondContact O-CG2 3.31Å; G165-I169 WeakPolarHBondContact O-CD1 3.25Å; G165-I169 WeakPolarHBondContact O-CG1 3.3Å; G165-I169 PolarHBondContact O-N 3.13Å; H166-I169 PolarHBondContact O-N 3.38Å; I169-L171 PolarHBondContact O-N 3.35Å; I169-I172 PolarHBondContact O-N 3.44Å; I169-Q173 HydrophobicContact CG2-CG 4.48Å; I169-Q173 WeakPolarHBondContact O-CG 3.32Å; I169-Q173 PolarHBondContact O-N 3.13Å |
| 170 | R | 93.1 | Very high | 90.2 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 179.4 | -68.6 | -55.7 | -169.5 | -175.6 | 5 | 112.6 | H166 A167 F168 Q173 L174 | H166-R170 WeakPolarHBondContact O-CG 3.48Å; H166-R170 PolarHBondContact O-N 2.99Å; A167-R170 PolarHBondContact O-N 3.15Å; F168-R170 VanDerWaalsContact C-N 3.35Å; F168-R170 PolarHBondContact O-N 3.29Å; R170-Q173 PolarHBondContact O-N 3.28Å; R170-L174 WeakPolarHBondContact O-CB 3.36Å; R170-L174 VanDerWaalsContact O-CG 3.25Å; R170-L174 WeakPolarHBondContact O-CG 3.25Å; R170-L174 PolarHBondContact O-N 3.45Å |
| 171 | L | 92.4 | Very high | 90.5 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 173.5 | 168.8 | 72.1 | 0 | 0 | 0 | 111 | C157 M163 A167 F168 I169 Q173 L174 R175 | C157-L171 HydrophobicContact CB-CD2 3.72Å; C157-L171 WeakPolarHBondContact SG-CD2 3.49Å; M163-L171 HydrophobicContact CE-CD2 3.91Å; M163-L171 HydrophobicContact SD-CB 4.23Å; M163-L171 HydrophobicContact SD-CD2 3.94Å; A167-L171 WeakPolarHBondContact O-CB 3.37Å; A167-L171 PolarHBondContact O-N 3Å; F168-L171 WeakPolarHBondContact O-CB 3.24Å; F168-L171 PolarHBondContact O-N 3.21Å; I169-L171 PolarHBondContact O-N 3.35Å; L171-Q173 VanDerWaalsContact C-N 3.35Å; L171-L174 PolarHBondContact O-N 3.27Å; L171-R175 HydrophobicContact CD1-CG 4.32Å; L171-R175 WeakPolarHBondContact O-CB 3.47Å; L171-R175 WeakPolarHBondContact O-CG 3.39Å; L171-R175 PolarHBondContact O-N 2.89Å |
| 172 | I | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 179 | -61.1 | -58.8 | 0 | 0 | 0 | 109.7 | L42 L44 F53 L63 L158 F168 I169 L174 R175 T176 | L42-I172 HydrophobicContact CD1-CG2 4.32Å; L42-I172 HydrophobicContact CD2-CG1 4.28Å; L44-I172 HydrophobicContact CD1-CG2 3.91Å; F53-I172 HydrophobicContact CE1-CG2 3.91Å; F53-I172 HydrophobicContact CZ-CD1 4.24Å; F53-I172 HydrophobicContact CZ-CG2 4.16Å; L63-I172 HydrophobicContact CD1-CD1 4.08Å; L158-I172 HydrophobicContact CD2-CD1 3.59Å; F168-I172 HydrophobicContact CD1-CG1 4.47Å; F168-I172 HydrophobicContact CE1-CG1 4.11Å; F168-I172 HydrophobicContact CE2-CD1 4.29Å; F168-I172 HydrophobicContact CE2-CG1 4.43Å; F168-I172 HydrophobicContact CZ-CD1 4.11Å; F168-I172 HydrophobicContact CZ-CG1 4.1Å; F168-I172 WeakPolarHBondContact O-CG1 3.43Å; F168-I172 PolarHBondContact O-N 2.99Å; I169-I172 PolarHBondContact O-N 3.44Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-L174 PolarHBondContact O-N 3.37Å; I172-R175 PolarHBondContact O-N 3.34Å; I172-R175 VanDerWaalsContact O-N 3.12Å; I172-T176 HydrophobicContact CG2-CG2 4.36Å; I172-T176 PolarHBondContact O-N 2.81Å; I172-T176 PolarHBondContact O-OG1 3.36Å |
| 173 | Q | 91.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 178.6 | -72.9 | 175.4 | -10.6 | 0 | 0 | 113.3 | H43 L44 I169 R170 L171 N177 T178 V179 | H43-Q173 PolarHBondContact O-NE2 3.37Å; H43-Q173 VanDerWaalsContact O-NE2 3.1Å; L44-Q173 HydrophobicContact CD2-CG 3.77Å; I169-Q173 HydrophobicContact CG2-CG 4.48Å; I169-Q173 WeakPolarHBondContact O-CG 3.32Å; I169-Q173 PolarHBondContact O-N 3.13Å; R170-Q173 PolarHBondContact O-N 3.28Å; L171-Q173 VanDerWaalsContact C-N 3.35Å; Q173-N177 PolarHBondContact O-N 2.84Å; Q173-N177 VanDerWaalsContact O-N 3.15Å; Q173-T178 WeakPolarHBondContact CA-OG1 3.45Å; Q173-T178 PolarHBondContact O-N 3.02Å; Q173-T178 PolarHBondContact O-OG1 3.27Å; Q173-V179 HydrophobicContact CB-CG2 3.96Å; Q173-V179 PolarHBondContact O-N 2.89Å |
| 174 | L | 90.8 | Very high | 90.8 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 45% | 0.445 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 175.9 | -76.5 | 166.1 | 0 | 0 | 0 | 111.5 | R170 L171 I172 N177 V179 L212 | R170-L174 WeakPolarHBondContact O-CB 3.36Å; R170-L174 VanDerWaalsContact O-CG 3.25Å; R170-L174 WeakPolarHBondContact O-CG 3.25Å; R170-L174 PolarHBondContact O-N 3.45Å; L171-L174 PolarHBondContact O-N 3.27Å; I172-L174 VanDerWaalsContact C-N 3.31Å; I172-L174 PolarHBondContact O-N 3.37Å; L174-N177 PolarHBondContact O-N 3.36Å; L174-V179 HydrophobicContact CD2-CG2 3.79Å; L174-V179 HydrophobicContact CG-CG2 4.01Å; L174-L212 HydrophobicContact CD2-CD1 3.69Å; L174-L212 HydrophobicContact CD2-CD2 4.15Å; L174-L212 HydrophobicContact CD2-CG 4.46Å |
| 175 | R | 89.5 | Confident | 90.5 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | -179.8 | -79.7 | -172.3 | 171.7 | -154.6 | -6 | 112.7 | L145 F148 S154 N155 C157 L158 L171 I172 N177 | L145-R175 HydrophobicContact CD2-CB 3.95Å; L145-R175 WeakPolarHBondContact CD2-O 3.39Å; F148-R175 HydrophobicContact CE2-CG 4.42Å; S154-R175 PolarHBondContact O-NH2 3.01Å; N155-R175 PolarHBondContact OD1-NH1 3.17Å; N155-R175 VanDerWaalsContact OD1-NH1 3.13Å; C157-R175 PolarHBondContact SG-NH2 3.26Å; L158-R175 VanDerWaalsContact CD1-NH1 3.33Å; L158-R175 VanDerWaalsContact CG-NH1 3.28Å; L171-R175 HydrophobicContact CD1-CG 4.32Å; L171-R175 WeakPolarHBondContact O-CB 3.47Å; L171-R175 WeakPolarHBondContact O-CG 3.39Å; L171-R175 PolarHBondContact O-N 2.89Å; I172-R175 PolarHBondContact O-N 3.34Å; I172-R175 VanDerWaalsContact O-N 3.12Å; R175-N177 VanDerWaalsContact C-N 3.27Å; R175-N177 PolarHBondContact O-N 3.37Å |
| 176 | T | 89.2 | Confident | 90.2 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.3 | -178.2 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | F53 Q141 I172 T178 | F53-T176 HydrophobicContact CD1-CG2 3.81Å; F53-T176 HydrophobicContact CD2-CG2 3.96Å; F53-T176 HydrophobicContact CE1-CG2 3.65Å; F53-T176 HydrophobicContact CE2-CG2 3.8Å; F53-T176 HydrophobicContact CG-CG2 3.96Å; F53-T176 HydrophobicContact CZ-CG2 3.64Å; Q141-T176 WeakPolarHBondContact CB-O 3.34Å; Q141-T176 WeakPolarHBondContact CG-O 3.42Å; I172-T176 HydrophobicContact CG2-CG2 4.36Å; I172-T176 PolarHBondContact O-N 2.81Å; I172-T176 PolarHBondContact O-OG1 3.36Å; T176-T178 VanDerWaalsContact C-N 3.27Å; T176-T178 WeakPolarHBondContact O-CG2 3.41Å; T176-T178 PolarHBondContact O-N 2.94Å; T176-T178 PolarHBondContact OG1-OG1 2.96Å |
| 177 | N | 88.2 | Confident | 89.5 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 42.5 | -176.5 | -167.6 | 31.1 | 0 | 0 | 0 | 112.6 | Q173 L174 R175 | Q173-N177 PolarHBondContact O-N 2.84Å; Q173-N177 VanDerWaalsContact O-N 3.15Å; L174-N177 PolarHBondContact O-N 3.36Å; R175-N177 VanDerWaalsContact C-N 3.27Å; R175-N177 PolarHBondContact O-N 3.37Å |
| 178 | T | 88.5 | Confident | 88.7 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | trans | -118.3 | 12.3 | -178.7 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | L44 A48 Q173 T176 | L44-T178 HydrophobicContact CD2-CG2 4.36Å; L44-T178 WeakPolarHBondContact CD2-OG1 3.41Å; A48-T178 HydrophobicContact CB-CG2 3.52Å; Q173-T178 WeakPolarHBondContact CA-OG1 3.45Å; Q173-T178 PolarHBondContact O-N 3.02Å; Q173-T178 PolarHBondContact O-OG1 3.27Å; T176-T178 VanDerWaalsContact C-N 3.27Å; T176-T178 WeakPolarHBondContact O-CG2 3.41Å; T176-T178 PolarHBondContact O-N 2.94Å; T176-T178 PolarHBondContact OG1-OG1 2.96Å | ||
| 179 | V | 90.4 | Very high | 87.9 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -52.5 | 135.5 | 164 | 178 | 0 | 0 | 0 | 0 | 108 | Q173 L174 T181 A184 L212 | Q173-V179 HydrophobicContact CB-CG2 3.96Å; Q173-V179 PolarHBondContact O-N 2.89Å; L174-V179 HydrophobicContact CD2-CG2 3.79Å; L174-V179 HydrophobicContact CG-CG2 4.01Å; V179-T181 HydrophobicContact CB-CG2 4.46Å; V179-T181 HydrophobicContact CG1-CG2 4.14Å; V179-T181 PolarHBondContact O-N 3.25Å; V179-A184 WeakPolarHBondContact O-CB 3.5Å; V179-L212 HydrophobicContact CB-CD1 4.02Å; V179-L212 HydrophobicContact CG1-CD1 4.25Å; V179-L212 HydrophobicContact CG2-CD1 3.86Å; V179-L212 HydrophobicContact CG2-CD2 4.5Å |
| 180 | P | 89.6 | Confident | 86.4 | Confident | 60 Ų | 60 | 52 Ų | 52 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | trans | -74.7 | 59.5 | -171.8 | 31.9 | -38.6 | 0 | 0 | 0 | 113.1 | L185 | P180-L185 HydrophobicContact CB-CD1 4.34Å; P180-L185 HydrophobicContact CB-CD2 4.26Å; P180-L185 HydrophobicContact CB-CG 4.41Å | ||
| 181 | T | 90.8 | Very high | 85.1 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -78.3 | 155.7 | 168.7 | 78.6 | 0 | 0 | 0 | 0 | 109.7 | V179 M183 A184 L185 E210 | V179-T181 HydrophobicContact CB-CG2 4.46Å; V179-T181 HydrophobicContact CG1-CG2 4.14Å; V179-T181 PolarHBondContact O-N 3.25Å; T181-M183 PolarHBondContact O-N 3.41Å; T181-A184 WeakPolarHBondContact O-CA 3.09Å; T181-A184 WeakPolarHBondContact O-CB 3.48Å; T181-A184 PolarHBondContact O-N 3.2Å; T181-A184 PolarHBondContact OG1-N 3Å; T181-L185 WeakPolarHBondContact O-CG 3.44Å; T181-L185 PolarHBondContact O-N 3.25Å; T181-E210 WeakPolarHBondContact CB-O 3.33Å; T181-E210 PolarHBondContact OG1-O 3.08Å | ||
| 182 | R | 89.9 | Confident | 83.8 | Confident | 74 Ų | 74 | 56 Ų | 56 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52.4 | -40.3 | 176 | -79 | 159.5 | 168.2 | -163.7 | 2.4 | 112.6 | A184 L185 L186 Q196 K198 R200 E210 | R182-A184 VanDerWaalsContact C-N 3.31Å; R182-A184 PolarHBondContact O-N 3.16Å; R182-L185 PolarHBondContact O-N 2.97Å; R182-L186 HydrophobicContact CB-CD1 4.44Å; R182-L186 VanDerWaalsContact O-CB 3.31Å; R182-L186 WeakPolarHBondContact O-CB 3.46Å; R182-L186 WeakPolarHBondContact O-CG 3.45Å; R182-L186 PolarHBondContact O-N 3.12Å; R182-Q196 WeakPolarHBondContact CB-O 3.4Å; R182-Q196 WeakPolarHBondContact CD-O 3.36Å; R182-Q196 VanDerWaalsContact CG-O 3.25Å; R182-Q196 WeakPolarHBondContact CG-O 3.4Å; R182-K198 WeakPolarHBondContact CD-O 3.4Å; R182-K198 PolarHBondContact NH1-O 2.9Å; R182-R200 VanDerWaalsContact NE-CG 3.32Å; R182-E210 HydrophobicContact CB-CB 3.9Å; R182-E210 VanDerWaalsContact CB-OE2 3.31Å; R182-E210 WeakPolarHBondContact CB-OE2 3.46Å; R182-E210 WeakPolarHBondContact CD-OE2 3.27Å; R182-E210 WeakPolarHBondContact CG-OE2 3.44Å; R182-E210 PolarHBondContact N-OE2 3.35Å |
| 183 | M | 88.1 | Confident | 82.6 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -30.1 | 176.1 | -68.4 | -66.5 | -67.2 | 0 | 0 | 114 | T181 L192 T197 F209 E210 T211 | T181-M183 PolarHBondContact O-N 3.41Å; M183-L192 HydrophobicContact CE-CD2 3.6Å; M183-L192 HydrophobicContact SD-CD2 4.25Å; M183-T197 HydrophobicContact SD-CG2 3.96Å; M183-F209 HydrophobicContact CG-CB 4.17Å; M183-F209 HydrophobicContact SD-CB 4.12Å; M183-F209 HydrophobicContact SD-CG 4.45Å; M183-E210 VanDerWaalsContact CB-O 3.25Å; M183-E210 WeakPolarHBondContact CB-O 3.01Å; M183-E210 WeakPolarHBondContact CG-O 3.34Å; M183-E210 PolarHBondContact N-O 2.97Å; M183-T211 HydrophobicContact CB-CG2 4.29Å; M183-T211 HydrophobicContact CG-CG2 3.8Å |
| 184 | A | 86.5 | Confident | 81.9 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -77.2 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V179 T181 R182 R187 | V179-A184 WeakPolarHBondContact O-CB 3.5Å; T181-A184 WeakPolarHBondContact O-CA 3.09Å; T181-A184 WeakPolarHBondContact O-CB 3.48Å; T181-A184 PolarHBondContact O-N 3.2Å; T181-A184 PolarHBondContact OG1-N 3Å; R182-A184 VanDerWaalsContact C-N 3.31Å; R182-A184 PolarHBondContact O-N 3.16Å; A184-R187 WeakPolarHBondContact O-CB 3.5Å |
| 185 | L | 86 | Confident | 81.4 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -74.3 | -39.5 | -178.8 | -66.8 | 173.1 | 0 | 0 | 0 | 113 | P180 T181 R182 R187 | P180-L185 HydrophobicContact CB-CD1 4.34Å; P180-L185 HydrophobicContact CB-CD2 4.26Å; P180-L185 HydrophobicContact CB-CG 4.41Å; T181-L185 WeakPolarHBondContact O-CG 3.44Å; T181-L185 PolarHBondContact O-N 3.25Å; R182-L185 PolarHBondContact O-N 2.97Å; L185-R187 PolarHBondContact O-N 3.34Å |
| 186 | L | 84.6 | Confident | 81.3 | Confident | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.194 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 13.3 | 179 | -62.7 | 171 | 0 | 0 | 0 | 112.8 | R182 G188 S189 Q196 T197 | R182-L186 HydrophobicContact CB-CD1 4.44Å; R182-L186 VanDerWaalsContact O-CB 3.31Å; R182-L186 WeakPolarHBondContact O-CB 3.46Å; R182-L186 WeakPolarHBondContact O-CG 3.45Å; R182-L186 PolarHBondContact O-N 3.12Å; L186-G188 PolarHBondContact O-N 2.9Å; L186-S189 VanDerWaalsContact O-CB 3.31Å; L186-S189 WeakPolarHBondContact O-CB 3.35Å; L186-S189 PolarHBondContact O-N 2.91Å; L186-S189 PolarHBondContact O-OG 3.32Å; L186-Q196 HydrophobicContact CD1-CB 3.83Å; L186-Q196 VanDerWaalsContact CD1-O 3.27Å; L186-Q196 WeakPolarHBondContact CD1-O 3.49Å; L186-T197 HydrophobicContact CB-CG2 4.48Å; L186-T197 HydrophobicContact CD1-CG2 3.68Å |
| 187 | R | 78.6 | Confident | 81.3 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 124.9 | -179.1 | -173.7 | -174.2 | -64 | -91.6 | 5.1 | 109.8 | A184 L185 S189 | A184-R187 WeakPolarHBondContact O-CB 3.5Å; L185-R187 PolarHBondContact O-N 3.34Å; R187-S189 VanDerWaalsContact C-N 3.29Å |
| 188 | G | 75.2 | Confident | 81.5 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 77% | 0.773 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -5.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L186 | L186-G188 PolarHBondContact O-N 2.9Š|
| 189 | S | 77.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | trans | -78.5 | 136.9 | 171.1 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | L186 R187 K191 | L186-S189 VanDerWaalsContact O-CB 3.31Å; L186-S189 WeakPolarHBondContact O-CB 3.35Å; L186-S189 PolarHBondContact O-N 2.91Å; L186-S189 PolarHBondContact O-OG 3.32Å; R187-S189 VanDerWaalsContact C-N 3.29Å; S189-K191 PolarHBondContact O-N 2.89Å | ||
| 190 | L | 62 | Low | 81.9 | Confident | 184 Ų | 184 | 71 Ų | 71 | 96% | 0.963 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.5 | 177.5 | -69.1 | 164.2 | 0 | 0 | 0 | 113.8 | L192 | L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 3.43Å |
| 191 | K | 66.6 | Low | 82.1 | Confident | 135 Ų | 135 | 73.8 Ų | 73.8 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 28.6 | -175.3 | -59.2 | -175.2 | 178.8 | -178.3 | 0 | 114.2 | S189 A193 S194 | S189-K191 PolarHBondContact O-N 2.89Å; K191-A193 PolarHBondContact O-N 3.44Å; K191-A193 VanDerWaalsContact O-N 3.14Å; K191-S194 WeakPolarHBondContact O-CB 3.38Å; K191-S194 PolarHBondContact O-N 3.24Å; K191-S194 PolarHBondContact O-OG 3.23Å |
| 192 | L | 63.3 | Low | 82.2 | Confident | 87 Ų | 87 | 73.7 Ų | 73.7 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.4 | -174.3 | -109.1 | 139.3 | 0 | 0 | 0 | 114.1 | M183 L190 T197 | M183-L192 HydrophobicContact CE-CD2 3.6Å; M183-L192 HydrophobicContact SD-CD2 4.25Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 3.43Å; L192-T197 WeakPolarHBondContact O-CB 3.35Å; L192-T197 WeakPolarHBondContact O-CG2 3.38Å; L192-T197 PolarHBondContact O-OG1 3.14Å |
| 193 | A | 67.1 | Low | 82.4 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 81% | 0.81 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K191 | K191-A193 PolarHBondContact O-N 3.44Å; K191-A193 VanDerWaalsContact O-N 3.14Å |
| 194 | S | 77 | Confident | 82.5 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -83.5 | 163.3 | -178.6 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | K191 Q196 T197 | K191-S194 WeakPolarHBondContact O-CB 3.38Å; K191-S194 PolarHBondContact O-N 3.24Å; K191-S194 PolarHBondContact O-OG 3.23Å; S194-Q196 PolarHBondContact O-N 3.19Å; S194-Q196 WeakPolarHBondContact OG-CB 3.4Å; S194-Q196 PolarHBondContact OG-N 3.24Å; S194-T197 PolarHBondContact O-N 3.11Å; S194-T197 PolarHBondContact O-OG1 3.44Å |
| 195 | E | 82 | Confident | 82.7 | Confident | 100 Ų | 100 | 77.2 Ų | 77.2 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -48.1 | -27.1 | 169.3 | -168.9 | 61.3 | -153.2 | 0 | 0 | 112.8 | T197 K198 | E195-T197 VanDerWaalsContact C-N 3.25Å; E195-T197 PolarHBondContact O-N 3.08Å; E195-K198 WeakPolarHBondContact O-CB 3.37Å; E195-K198 PolarHBondContact O-N 3.39Å; E195-K198 IonicContact OE1-NZ 3.8Å; E195-K198 WeakPolarHBondContact OE2-CD 3.39Å; E195-K198 WeakPolarHBondContact OE2-CE 3.46Å; E195-K198 IonicContact OE2-NZ 3.26Å; E195-K198 PolarHBondContact OE2-NZ 3.38Å |
| 196 | Q | 86.5 | Confident | 83 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -68.7 | -17.3 | -179.1 | -54.6 | -177.2 | -20 | 0 | 0 | 113.9 | R182 L186 S194 | R182-Q196 WeakPolarHBondContact CB-O 3.4Å; R182-Q196 WeakPolarHBondContact CD-O 3.36Å; R182-Q196 VanDerWaalsContact CG-O 3.25Å; R182-Q196 WeakPolarHBondContact CG-O 3.4Å; L186-Q196 HydrophobicContact CD1-CB 3.83Å; L186-Q196 VanDerWaalsContact CD1-O 3.27Å; L186-Q196 WeakPolarHBondContact CD1-O 3.49Å; S194-Q196 PolarHBondContact O-N 3.19Å; S194-Q196 WeakPolarHBondContact OG-CB 3.4Å; S194-Q196 PolarHBondContact OG-N 3.24Å |
| 197 | T | 89.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -93 | -13.1 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | M183 L186 L192 S194 E195 F209 E210 | M183-T197 HydrophobicContact SD-CG2 3.96Å; L186-T197 HydrophobicContact CB-CG2 4.48Å; L186-T197 HydrophobicContact CD1-CG2 3.68Å; L192-T197 WeakPolarHBondContact O-CB 3.35Å; L192-T197 WeakPolarHBondContact O-CG2 3.38Å; L192-T197 PolarHBondContact O-OG1 3.14Å; S194-T197 PolarHBondContact O-N 3.11Å; S194-T197 PolarHBondContact O-OG1 3.44Å; E195-T197 VanDerWaalsContact C-N 3.25Å; E195-T197 PolarHBondContact O-N 3.08Å; T197-F209 CarbonylContact O-C 3.53Å; T197-F209 WeakPolarHBondContact O-CA 3.25Å; T197-F209 VanDerWaalsContact OG1-CD1 3.24Å; T197-F209 WeakPolarHBondContact OG1-CD1 3.38Å; T197-F209 VanDerWaalsContact OG1-CE1 3.3Å; T197-F209 WeakPolarHBondContact OG1-CE1 3.35Å; T197-E210 PolarHBondContact O-N 3.14Å |
| 198 | K | 92.4 | Very high | 83.9 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 24% | 0.235 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 155 | 177.5 | -64.4 | -169.8 | -173.5 | 166 | 0 | 111.9 | R182 E195 R200 R208 | R182-K198 WeakPolarHBondContact CD-O 3.4Å; R182-K198 PolarHBondContact NH1-O 2.9Å; E195-K198 WeakPolarHBondContact O-CB 3.37Å; E195-K198 PolarHBondContact O-N 3.39Å; E195-K198 IonicContact OE1-NZ 3.8Å; E195-K198 WeakPolarHBondContact OE2-CD 3.39Å; E195-K198 WeakPolarHBondContact OE2-CE 3.46Å; E195-K198 IonicContact OE2-NZ 3.26Å; E195-K198 PolarHBondContact OE2-NZ 3.38Å; K198-R200 PolarHBondContact O-N 3.16Å; K198-R208 CarbonylContact C-O 3.51Å; K198-R208 WeakPolarHBondContact CA-O 3.37Å |
| 199 | C | 94.3 | Very high | 84.7 | Confident | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.034 | 41% | 0.411 | C | S | . | . | trans | -57.9 | 131.2 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | H201 C202 G203 R208 E210 H214 | C199-H201 PolarHBondContact O-N 3.24Å; C199-H201 VanDerWaalsContact O-N 3.12Å; C199-C202 VanDerWaalsContact SG-SG 3.67Å; C199-G203 WeakPolarHBondContact O-CA 2.98Å; C199-G203 PolarHBondContact O-N 3.26Å; C199-R208 PolarHBondContact N-O 3.17Å; C199-E210 HydrophobicContact CB-CB 4.48Å; C199-H214 PolarHBondContact SG-NE2 3.2Å | ||
| 200 | R | 93.1 | Very high | 85.5 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26 | 179.3 | -66.1 | 172.1 | -164.1 | -151.6 | -0.3 | 114.1 | R182 K198 E210 | R182-R200 VanDerWaalsContact NE-CG 3.32Å; K198-R200 PolarHBondContact O-N 3.16Å; R200-E210 WeakPolarHBondContact CG-OE2 3.35Å; R200-E210 IonicContact NE-OE1 2.65Å; R200-E210 IonicContact NE-OE2 3.73Å; R200-E210 PolarHBondContact NE-OE2 2.98Å |
| 201 | H | 93.3 | Very high | 86.9 | Confident | 120 Ų | 120 | 69.8 Ų | 69.8 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -33.2 | -170.9 | -57.8 | -69.6 | 0 | 0 | 0 | 114.2 | C199 T221 | C199-H201 PolarHBondContact O-N 3.24Å; C199-H201 VanDerWaalsContact O-N 3.12Å; H201-T221 HydrophobicContact CB-CG2 4.22Å; H201-T221 WeakPolarHBondContact CB-OG1 3.19Å |
| 202 | C | 94.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 4.2 | 179.1 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | C199 S204 D205 T206 H214 R220 | C199-C202 VanDerWaalsContact SG-SG 3.67Å; C202-S204 PolarHBondContact O-N 3.27Å; C202-D205 PolarHBondContact O-N 3.04Å; C202-T206 HydrophobicContact CB-CG2 4.17Å; C202-T206 WeakPolarHBondContact O-CB 3.49Å; C202-T206 WeakPolarHBondContact O-CG2 3.33Å; C202-T206 PolarHBondContact O-N 3.41Å; C202-T206 PolarHBondContact O-OG1 3.48Å; C202-H214 PolarHBondContact SG-CE1 2.95Å; C202-H214 PolarHBondContact SG-NE2 3.25Å; C202-R220 HydrophobicContact CB-CG 4.12Å |
| 203 | G | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C199 D205 G207 | C199-G203 WeakPolarHBondContact O-CA 2.98Å; C199-G203 PolarHBondContact O-N 3.26Å; G203-D205 PolarHBondContact O-N 3.05Å; G203-G207 VanDerWaalsContact O-CA 3.23Å; G203-G207 WeakPolarHBondContact O-CA 3.49Å; G203-G207 PolarHBondContact O-N 2.98Å |
| 204 | S | 91.2 | Very high | 90.7 | Very high | 96 Ų | 96 | 58.2 Ų | 58.2 | 67% | 0.671 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 178.2 | -53 | 0 | 0 | 0 | 0 | 111.9 | C202 | C202-S204 PolarHBondContact O-N 3.27Å |
| 205 | D | 91.8 | Very high | 91.4 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -86.8 | -35.1 | -176 | -50.9 | 0.3 | 0 | 0 | 0 | 113.1 | C202 G203 R220 | C202-D205 PolarHBondContact O-N 3.04Å; G203-D205 PolarHBondContact O-N 3.05Å; D205-R220 IonicContact OD2-CZ 3.1Å; D205-R220 IonicContact OD2-NH1 3.5Å; D205-R220 PolarHBondContact OD2-NH1 3.38Å; D205-R220 IonicContact OD2-NH2 3.27Å; D205-R220 PolarHBondContact OD2-NH2 3.27Å |
| 206 | T | 91.3 | Very high | 91.8 | Very high | 64 Ų | 64 | 55 Ų | 55 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -102.3 | -11.6 | -171.2 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | C202 R208 | C202-T206 HydrophobicContact CB-CG2 4.17Å; C202-T206 WeakPolarHBondContact O-CB 3.49Å; C202-T206 WeakPolarHBondContact O-CG2 3.33Å; C202-T206 PolarHBondContact O-N 3.41Å; C202-T206 PolarHBondContact O-OG1 3.48Å; T206-R208 PolarHBondContact O-N 2.84Å; T206-R208 VanDerWaalsContact O-N 3.07Å; T206-R208 PolarHBondContact OG1-N 2.84Å |
| 207 | G | 90.5 | Very high | 92.1 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | trans | 65.9 | 2.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | G203 | G203-G207 VanDerWaalsContact O-CA 3.23Å; G203-G207 WeakPolarHBondContact O-CA 3.49Å; G203-G207 PolarHBondContact O-N 2.98Å | ||
| 208 | R | 92 | Very high | 92.2 | Very high | 119 Ų | 119 | 61 Ų | 61 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | trans | -74.9 | 144.2 | -173.3 | -66.5 | -165.5 | -175.8 | -178.9 | 11 | 113.2 | K198 C199 T206 | K198-R208 CarbonylContact C-O 3.51Å; K198-R208 WeakPolarHBondContact CA-O 3.37Å; C199-R208 PolarHBondContact N-O 3.17Å; T206-R208 PolarHBondContact O-N 2.84Å; T206-R208 VanDerWaalsContact O-N 3.07Å; T206-R208 PolarHBondContact OG1-N 2.84Å | ||
| 209 | F | 92.2 | Very high | 92.3 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 145.6 | 173.9 | -58 | -59 | 0 | 0 | 0 | 113.6 | M183 T197 T211 | M183-F209 HydrophobicContact CG-CB 4.17Å; M183-F209 HydrophobicContact SD-CB 4.12Å; M183-F209 HydrophobicContact SD-CG 4.45Å; T197-F209 CarbonylContact O-C 3.53Å; T197-F209 WeakPolarHBondContact O-CA 3.25Å; T197-F209 VanDerWaalsContact OG1-CD1 3.24Å; T197-F209 WeakPolarHBondContact OG1-CD1 3.38Å; T197-F209 VanDerWaalsContact OG1-CE1 3.3Å; T197-F209 WeakPolarHBondContact OG1-CE1 3.35Å; F209-T211 VanDerWaalsContact C-N 3.31Å; F209-T211 HydrophobicContact CB-CG2 4.47Å; F209-T211 PolarHBondContact O-N 3.3Å |
| 210 | E | 93.1 | Very high | 92.3 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | trans | -77.7 | 77.4 | 176.1 | -151.6 | -164.8 | 158.2 | 0 | 0 | 111.5 | T181 R182 M183 T197 C199 R200 | T181-E210 WeakPolarHBondContact CB-O 3.33Å; T181-E210 PolarHBondContact OG1-O 3.08Å; R182-E210 HydrophobicContact CB-CB 3.9Å; R182-E210 VanDerWaalsContact CB-OE2 3.31Å; R182-E210 WeakPolarHBondContact CB-OE2 3.46Å; R182-E210 WeakPolarHBondContact CD-OE2 3.27Å; R182-E210 WeakPolarHBondContact CG-OE2 3.44Å; R182-E210 PolarHBondContact N-OE2 3.35Å; M183-E210 VanDerWaalsContact CB-O 3.25Å; M183-E210 WeakPolarHBondContact CB-O 3.01Å; M183-E210 WeakPolarHBondContact CG-O 3.34Å; M183-E210 PolarHBondContact N-O 2.97Å; T197-E210 PolarHBondContact O-N 3.14Å; C199-E210 HydrophobicContact CB-CB 4.48Å; R200-E210 WeakPolarHBondContact CG-OE2 3.35Å; R200-E210 IonicContact NE-OE1 2.65Å; R200-E210 IonicContact NE-OE2 3.73Å; R200-E210 PolarHBondContact NE-OE2 2.98Å | ||
| 211 | T | 91.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -95.5 | 159.8 | 170.3 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | M183 F209 A213 H214 A215 | M183-T211 HydrophobicContact CB-CG2 4.29Å; M183-T211 HydrophobicContact CG-CG2 3.8Å; F209-T211 VanDerWaalsContact C-N 3.31Å; F209-T211 HydrophobicContact CB-CG2 4.47Å; F209-T211 PolarHBondContact O-N 3.3Å; T211-A213 VanDerWaalsContact C-N 3.26Å; T211-A213 PolarHBondContact O-N 3.47Å; T211-H214 WeakPolarHBondContact O-CB 3.47Å; T211-H214 PolarHBondContact O-N 3.43Å; T211-H214 VanDerWaalsContact OG1-CB 3.28Å; T211-H214 WeakPolarHBondContact OG1-CB 3.38Å; T211-H214 PolarHBondContact OG1-N 3.35Å; T211-A215 PolarHBondContact O-N 3.04Å | ||
| 212 | L | 90.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 172.2 | 179.4 | 61.8 | 0 | 0 | 0 | 111.8 | L174 V179 A215 V216 | L174-L212 HydrophobicContact CD2-CD1 3.69Å; L174-L212 HydrophobicContact CD2-CD2 4.15Å; L174-L212 HydrophobicContact CD2-CG 4.46Å; V179-L212 HydrophobicContact CB-CD1 4.02Å; V179-L212 HydrophobicContact CG1-CD1 4.25Å; V179-L212 HydrophobicContact CG2-CD1 3.86Å; V179-L212 HydrophobicContact CG2-CD2 4.5Å; L212-A215 PolarHBondContact O-N 2.84Å; L212-V216 HydrophobicContact CD1-CG2 3.6Å; L212-V216 HydrophobicContact CG-CG2 4.28Å; L212-V216 WeakPolarHBondContact O-CB 3.37Å; L212-V216 VanDerWaalsContact O-CG2 3.31Å; L212-V216 WeakPolarHBondContact O-CG2 3.49Å; L212-V216 PolarHBondContact O-N 3.14Å |
| 213 | A | 91.9 | Very high | 92.1 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T211 Q217 | T211-A213 VanDerWaalsContact C-N 3.26Å; T211-A213 PolarHBondContact O-N 3.47Å; A213-Q217 VanDerWaalsContact O-CB 3.27Å; A213-Q217 WeakPolarHBondContact O-CB 3.41Å; A213-Q217 PolarHBondContact O-N 3.41Å |
| 214 | H | 94.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -59.9 | -53.2 | 175 | 173.6 | 70.2 | 0 | 0 | 0 | 111.5 | C199 C202 T211 V216 Q218 C219 | C199-H214 PolarHBondContact SG-NE2 3.2Å; C202-H214 PolarHBondContact SG-CE1 2.95Å; C202-H214 PolarHBondContact SG-NE2 3.25Å; T211-H214 WeakPolarHBondContact O-CB 3.47Å; T211-H214 PolarHBondContact O-N 3.43Å; T211-H214 VanDerWaalsContact OG1-CB 3.28Å; T211-H214 WeakPolarHBondContact OG1-CB 3.38Å; T211-H214 PolarHBondContact OG1-N 3.35Å; H214-V216 VanDerWaalsContact C-N 3.3Å; H214-V216 PolarHBondContact O-N 3Å; H214-Q218 CarbonylContact O-C 3.59Å; H214-Q218 PolarHBondContact O-N 3.46Å; H214-C219 WeakPolarHBondContact NE2-CB 3.31Å; H214-C219 PolarHBondContact O-N 3.5Å |
| 215 | A | 92.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -60 | -38.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | T211 L212 T222 | T211-A215 PolarHBondContact O-N 3.04Å; L212-A215 PolarHBondContact O-N 2.84Å; A215-T222 WeakPolarHBondContact O-CB 3.03Å; A215-T222 WeakPolarHBondContact O-CG2 3.45Å; A215-T222 PolarHBondContact O-OG1 3.24Å |
| 216 | V | 90.7 | Very high | 92.1 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -90.5 | -22.1 | -173.8 | 178.2 | 0 | 0 | 0 | 0 | 113.7 | L212 H214 R226 R229 | L212-V216 HydrophobicContact CD1-CG2 3.6Å; L212-V216 HydrophobicContact CG-CG2 4.28Å; L212-V216 WeakPolarHBondContact O-CB 3.37Å; L212-V216 VanDerWaalsContact O-CG2 3.31Å; L212-V216 WeakPolarHBondContact O-CG2 3.49Å; L212-V216 PolarHBondContact O-N 3.14Å; H214-V216 VanDerWaalsContact C-N 3.3Å; H214-V216 PolarHBondContact O-N 3Å; V216-R226 WeakPolarHBondContact O-CD 3.2Å; V216-R226 WeakPolarHBondContact O-CG 3.25Å; V216-R229 VanDerWaalsContact CG1-NH1 3.34Å; V216-R229 PolarHBondContact O-NH2 3.41Å |
| 217 | Q | 91.3 | Very high | 92 | Very high | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.542 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -123.8 | -27.2 | -172.2 | -58.2 | -61.7 | -12.4 | 0 | 0 | 115 | A213 R226 | A213-Q217 VanDerWaalsContact O-CB 3.27Å; A213-Q217 WeakPolarHBondContact O-CB 3.41Å; A213-Q217 PolarHBondContact O-N 3.41Å; Q217-R226 PolarHBondContact O-NE 3.15Å |
| 218 | Q | 92.5 | Very high | 91.9 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -125.6 | -28 | -165.7 | -62.4 | -178.9 | -10.6 | 0 | 0 | 114.9 | H214 R220 | H214-Q218 CarbonylContact O-C 3.59Å; H214-Q218 PolarHBondContact O-N 3.46Å; Q218-R220 PolarHBondContact O-N 2.99Å |
| 219 | C | 94.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | trans | -60.9 | 130.8 | -174.4 | -175 | 0 | 0 | 0 | 0 | 111 | H214 T221 T222 H223 R226 | H214-C219 WeakPolarHBondContact NE2-CB 3.31Å; H214-C219 PolarHBondContact O-N 3.5Å; C219-T221 VanDerWaalsContact C-N 3.28Å; C219-T221 PolarHBondContact O-N 2.88Å; C219-T222 PolarHBondContact O-N 2.98Å; C219-T222 PolarHBondContact O-OG1 3.13Å; C219-H223 PolarHBondContact O-N 3.12Å; C219-R226 PolarHBondContact O-NH1 3.44Å; C219-R226 PolarHBondContact O-NH2 2.85Å; C219-R226 VanDerWaalsContact O-NH2 3.11Å | ||
| 220 | R | 92.7 | Very high | 91.5 | Very high | 124 Ų | 124 | 65.7 Ų | 65.7 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -61.5 | -37 | 178.3 | 63.4 | -174.3 | -178.9 | -163.3 | -2.6 | 112.1 | C202 D205 Q218 T222 H223 | C202-R220 HydrophobicContact CB-CG 4.12Å; D205-R220 IonicContact OD2-CZ 3.1Å; D205-R220 IonicContact OD2-NH1 3.5Å; D205-R220 PolarHBondContact OD2-NH1 3.38Å; D205-R220 IonicContact OD2-NH2 3.27Å; D205-R220 PolarHBondContact OD2-NH2 3.27Å; Q218-R220 PolarHBondContact O-N 2.99Å; R220-T222 VanDerWaalsContact C-N 3.3Å; R220-T222 PolarHBondContact O-N 2.9Å; R220-H223 WeakPolarHBondContact O-CB 3.28Å; R220-H223 PolarHBondContact O-N 3Å; R220-H223 VanDerWaalsContact O-N 3.08Å |
| 221 | T | 92.3 | Very high | 91.2 | Very high | 75 Ų | 75 | 68.7 Ų | 68.7 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -33.7 | 179.8 | -47.4 | 0 | 0 | 0 | 0 | 112.6 | H201 C219 | H201-T221 HydrophobicContact CB-CG2 4.22Å; H201-T221 WeakPolarHBondContact CB-OG1 3.19Å; C219-T221 VanDerWaalsContact C-N 3.28Å; C219-T221 PolarHBondContact O-N 2.88Å |
| 222 | T | 92.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 21% | 0.209 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.6 | 177.7 | 61.9 | 0 | 0 | 0 | 0 | 113 | A215 C219 R220 A224 L225 R226 | A215-T222 WeakPolarHBondContact O-CB 3.03Å; A215-T222 WeakPolarHBondContact O-CG2 3.45Å; A215-T222 PolarHBondContact O-OG1 3.24Å; C219-T222 PolarHBondContact O-N 2.98Å; C219-T222 PolarHBondContact O-OG1 3.13Å; R220-T222 VanDerWaalsContact C-N 3.3Å; R220-T222 PolarHBondContact O-N 2.9Å; T222-A224 PolarHBondContact O-N 2.87Å; T222-L225 PolarHBondContact O-N 3.26Å; T222-R226 WeakPolarHBondContact O-CG 3.16Å; T222-R226 PolarHBondContact O-N 2.88Å; T222-R226 PolarHBondContact OG1-NH1 3.33Å |
| 223 | H | 92 | Very high | 90.4 | Very high | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.5 | -50.2 | -178 | 179.5 | -99.8 | 0 | 0 | 0 | 112.1 | C219 R220 L225 R226 V227 | C219-H223 PolarHBondContact O-N 3.12Å; R220-H223 WeakPolarHBondContact O-CB 3.28Å; R220-H223 PolarHBondContact O-N 3Å; R220-H223 VanDerWaalsContact O-N 3.08Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.48Å; H223-R226 WeakPolarHBondContact O-CB 3.5Å; H223-R226 PolarHBondContact O-N 3.33Å; H223-V227 WeakPolarHBondContact O-CG2 3.38Å; H223-V227 PolarHBondContact O-N 3.45Å |
| 224 | A | 92 | Very high | 89.9 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | T222 R226 V227 I228 | T222-A224 PolarHBondContact O-N 2.87Å; A224-R226 VanDerWaalsContact C-N 3.35Å; A224-R226 PolarHBondContact O-N 2.87Å; A224-V227 PolarHBondContact O-N 3.36Å; A224-I228 WeakPolarHBondContact O-CG1 3.49Å; A224-I228 PolarHBondContact O-N 2.89Å |
| 225 | L | 92 | Very high | 89.1 | Confident | 115 Ų | 115 | 74 Ų | 74 | 60% | 0.602 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.3 | -35.7 | 176.4 | -62.8 | 176.2 | 0 | 0 | 0 | 112.6 | T222 H223 R229 | T222-L225 PolarHBondContact O-N 3.26Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.48Å; L225-R229 WeakPolarHBondContact O-CB 3.5Å; L225-R229 PolarHBondContact O-N 3.19Å |
| 226 | R | 91.4 | Very high | 88.2 | Confident | 39 Ų | 39 | 80.9 Ų | 80.9 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.1 | -69.7 | -168.1 | -61.9 | -84.4 | 11.5 | 111.3 | V216 Q217 C219 T222 H223 A224 R229 H230 | V216-R226 WeakPolarHBondContact O-CD 3.2Å; V216-R226 WeakPolarHBondContact O-CG 3.25Å; Q217-R226 PolarHBondContact O-NE 3.15Å; C219-R226 PolarHBondContact O-NH1 3.44Å; C219-R226 PolarHBondContact O-NH2 2.85Å; C219-R226 VanDerWaalsContact O-NH2 3.11Å; T222-R226 WeakPolarHBondContact O-CG 3.16Å; T222-R226 PolarHBondContact O-N 2.88Å; T222-R226 PolarHBondContact OG1-NH1 3.33Å; H223-R226 WeakPolarHBondContact O-CB 3.5Å; H223-R226 PolarHBondContact O-N 3.33Å; A224-R226 VanDerWaalsContact C-N 3.35Å; A224-R226 PolarHBondContact O-N 2.87Å; R226-R229 PolarHBondContact O-N 3.38Å; R226-H230 WeakPolarHBondContact O-CB 3.13Å; R226-H230 PolarHBondContact O-N 3.47Å |
| 227 | V | 89.5 | Confident | 87.2 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | H223 A224 R229 H230 N231 | H223-V227 WeakPolarHBondContact O-CG2 3.38Å; H223-V227 PolarHBondContact O-N 3.45Å; A224-V227 PolarHBondContact O-N 3.36Å; V227-R229 PolarHBondContact O-N 2.95Å; V227-H230 WeakPolarHBondContact O-CB 3.47Å; V227-H230 PolarHBondContact O-N 3.04Å; V227-N231 WeakPolarHBondContact O-CB 3.31Å; V227-N231 VanDerWaalsContact O-CG 3.22Å; V227-N231 PolarHBondContact O-N 3.22Å; V227-N231 PolarHBondContact O-OD1 3.45Å |
| 228 | I | 89.1 | Confident | 85.8 | Confident | 102 Ų | 102 | 83.7 Ų | 83.7 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 175.5 | -68.9 | 165.3 | 0 | 0 | 0 | 110.3 | A224 H230 N231 T232 | A224-I228 WeakPolarHBondContact O-CG1 3.49Å; A224-I228 PolarHBondContact O-N 2.89Å; I228-H230 VanDerWaalsContact C-N 3.32Å; I228-H230 PolarHBondContact O-N 3.11Å; I228-N231 PolarHBondContact O-N 2.98Å; I228-N231 VanDerWaalsContact O-N 3.17Å; I228-T232 PolarHBondContact O-N 3.03Å; I228-T232 PolarHBondContact O-OG1 3.11Å |
| 229 | R | 88 | Confident | 84.2 | Confident | 111 Ų | 111 | 86.1 Ų | 86.1 | 42% | 0.419 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.7 | -46 | 177.7 | 179.2 | -176 | 64.3 | 178 | -4.6 | 111.8 | V216 L225 R226 V227 T232 L233 | V216-R229 VanDerWaalsContact CG1-NH1 3.34Å; V216-R229 PolarHBondContact O-NH2 3.41Å; L225-R229 WeakPolarHBondContact O-CB 3.5Å; L225-R229 PolarHBondContact O-N 3.19Å; R226-R229 PolarHBondContact O-N 3.38Å; V227-R229 PolarHBondContact O-N 2.95Å; R229-T232 PolarHBondContact O-N 2.97Å; R229-L233 HydrophobicContact CG-CD1 4.45Å; R229-L233 WeakPolarHBondContact O-CG 3.43Å; R229-L233 PolarHBondContact O-N 2.73Å; R229-L233 VanDerWaalsContact O-N 3.08Å |
| 230 | H | 86.7 | Confident | 82.5 | Confident | 112 Ų | 112 | 88.5 Ų | 88.5 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 177 | 171.2 | -89.9 | 0 | 0 | 0 | 110.6 | R226 V227 I228 T232 L233 V234 | R226-H230 WeakPolarHBondContact O-CB 3.13Å; R226-H230 PolarHBondContact O-N 3.47Å; V227-H230 WeakPolarHBondContact O-CB 3.47Å; V227-H230 PolarHBondContact O-N 3.04Å; I228-H230 VanDerWaalsContact C-N 3.32Å; I228-H230 PolarHBondContact O-N 3.11Å; H230-T232 PolarHBondContact O-N 3.3Å; H230-L233 PolarHBondContact O-N 2.89Å; H230-L233 VanDerWaalsContact O-N 3.14Å; H230-V234 VanDerWaalsContact CE1-CG2 3.5Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.04Å; H230-V234 WeakPolarHBondContact O-CB 3.16Å; H230-V234 WeakPolarHBondContact O-CG2 3.47Å; H230-V234 PolarHBondContact O-N 2.83Å |
| 231 | N | 87 | Confident | 81.2 | Confident | 85 Ų | 85 | 84.6 Ų | 84.6 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | -178.4 | -68.3 | -6.7 | 0 | 0 | 0 | 112.3 | V227 I228 L233 V234 S235 | V227-N231 WeakPolarHBondContact O-CB 3.31Å; V227-N231 VanDerWaalsContact O-CG 3.22Å; V227-N231 PolarHBondContact O-N 3.22Å; V227-N231 PolarHBondContact O-OD1 3.45Å; I228-N231 PolarHBondContact O-N 2.98Å; I228-N231 VanDerWaalsContact O-N 3.17Å; N231-L233 VanDerWaalsContact C-N 3.34Å; N231-V234 PolarHBondContact O-N 3.21Å; N231-S235 WeakPolarHBondContact O-CB 3.38Å; N231-S235 PolarHBondContact O-N 2.92Å; N231-S235 PolarHBondContact O-OG 2.64Å |
| 232 | T | 84.6 | Confident | 80 | Confident | 64 Ų | 64 | 85.3 Ų | 85.3 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | I228 R229 H230 S235 R236 | I228-T232 PolarHBondContact O-N 3.03Å; I228-T232 PolarHBondContact O-OG1 3.11Å; R229-T232 PolarHBondContact O-N 2.97Å; H230-T232 PolarHBondContact O-N 3.3Å; T232-S235 PolarHBondContact O-OG 3.1Å; T232-R236 WeakPolarHBondContact O-CG 3.43Å; T232-R236 PolarHBondContact O-N 3.4Å |
| 233 | L | 81.7 | Confident | 79 | Confident | 82 Ų | 82 | 87.9 Ų | 87.9 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.6 | -46 | 174.4 | -70.2 | 174.3 | 0 | 0 | 0 | 110.5 | R229 H230 N231 S235 R236 F237 | R229-L233 HydrophobicContact CG-CD1 4.45Å; R229-L233 WeakPolarHBondContact O-CG 3.43Å; R229-L233 PolarHBondContact O-N 2.73Å; R229-L233 VanDerWaalsContact O-N 3.08Å; H230-L233 PolarHBondContact O-N 2.89Å; H230-L233 VanDerWaalsContact O-N 3.14Å; N231-L233 VanDerWaalsContact C-N 3.34Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.32Å; L233-R236 PolarHBondContact O-N 2.74Å; L233-F237 HydrophobicContact CB-CD2 4.35Å; L233-F237 HydrophobicContact CB-CE2 4.19Å; L233-F237 WeakPolarHBondContact O-CD2 3.38Å; L233-F237 WeakPolarHBondContact O-CG 3.31Å; L233-F237 PolarHBondContact O-N 3.34Å |
| 234 | V | 80.2 | Confident | 78.2 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 177.8 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | H230 N231 F237 K238 | H230-V234 VanDerWaalsContact CE1-CG2 3.5Å; H230-V234 WeakPolarHBondContact CE1-CG2 3.04Å; H230-V234 WeakPolarHBondContact O-CB 3.16Å; H230-V234 WeakPolarHBondContact O-CG2 3.47Å; H230-V234 PolarHBondContact O-N 2.83Å; N231-V234 PolarHBondContact O-N 3.21Å; V234-F237 CarbonylContact O-C 3.59Å; V234-F237 PolarHBondContact O-N 2.83Å; V234-K238 HydrophobicContact CG1-CD 3.72Å; V234-K238 HydrophobicContact CG1-CG 3.93Å; V234-K238 VanDerWaalsContact O-CB 3.25Å; V234-K238 WeakPolarHBondContact O-CB 3.4Å; V234-K238 VanDerWaalsContact O-CG 3.25Å; V234-K238 WeakPolarHBondContact O-CG 3.24Å; V234-K238 PolarHBondContact O-N 2.92Å |
| 235 | S | 77.3 | Confident | 77.5 | Confident | 51 Ų | 51 | 94 Ų | 94 | 36% | 0.357 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.8 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | N231 T232 L233 F237 K238 E239 | N231-S235 WeakPolarHBondContact O-CB 3.38Å; N231-S235 PolarHBondContact O-N 2.92Å; N231-S235 PolarHBondContact O-OG 2.64Å; T232-S235 PolarHBondContact O-OG 3.1Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.32Å; S235-F237 VanDerWaalsContact C-N 3.26Å; S235-F237 PolarHBondContact O-N 2.92Å; S235-K238 PolarHBondContact O-N 2.94Å; S235-E239 PolarHBondContact O-N 3.04Å |
| 236 | R | 75 | Confident | 76.9 | Confident | 172 Ų | 172 | 99.1 Ų | 99.1 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.8 | -31.5 | 175.6 | -70.1 | 178.6 | -179.4 | -163.6 | -1 | 113.4 | T232 L233 | T232-R236 WeakPolarHBondContact O-CG 3.43Å; T232-R236 PolarHBondContact O-N 3.4Å; L233-R236 PolarHBondContact O-N 2.74Å |
| 237 | F | 68.2 | Low | 76.6 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -90.6 | -22.5 | 177.9 | -67.2 | -56.2 | 0 | 0 | 0 | 114.1 | L233 V234 S235 E239 M255 | L233-F237 HydrophobicContact CB-CD2 4.35Å; L233-F237 HydrophobicContact CB-CE2 4.19Å; L233-F237 WeakPolarHBondContact O-CD2 3.38Å; L233-F237 WeakPolarHBondContact O-CG 3.31Å; L233-F237 PolarHBondContact O-N 3.34Å; V234-F237 CarbonylContact O-C 3.59Å; V234-F237 PolarHBondContact O-N 2.83Å; S235-F237 VanDerWaalsContact C-N 3.26Å; S235-F237 PolarHBondContact O-N 2.92Å; F237-E239 VanDerWaalsContact C-N 3.29Å; F237-M255 HydrophobicContact CB-CE 3.64Å; F237-M255 HydrophobicContact CD1-CE 3.13Å; F237-M255 HydrophobicContact CD2-CE 3.9Å; F237-M255 HydrophobicContact CE1-CE 3.63Å; F237-M255 HydrophobicContact CE2-CE 4.34Å; F237-M255 HydrophobicContact CG-CE 3.28Å; F237-M255 HydrophobicContact CZ-CE 4.21Å |
| 238 | K | 63.2 | Low | 76.3 | Confident | 117 Ų | 117 | 106.8 Ų | 106.8 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.7 | -33.7 | 174.5 | -88.4 | 177.9 | 175.1 | -177.6 | 0 | 111.4 | V234 S235 A256 | V234-K238 HydrophobicContact CG1-CD 3.72Å; V234-K238 HydrophobicContact CG1-CG 3.93Å; V234-K238 VanDerWaalsContact O-CB 3.25Å; V234-K238 WeakPolarHBondContact O-CB 3.4Å; V234-K238 VanDerWaalsContact O-CG 3.25Å; V234-K238 WeakPolarHBondContact O-CG 3.24Å; V234-K238 PolarHBondContact O-N 2.92Å; S235-K238 PolarHBondContact O-N 2.94Å; K238-A256 HydrophobicContact CB-CB 4.47Å; K238-A256 HydrophobicContact CD-CB 4.33Å; K238-A256 HydrophobicContact CG-CB 3.37Å |
| 239 | E | 58.8 | Low | 75.9 | Confident | 161 Ų | 161 | 110.9 Ų | 110.9 | 75% | 0.752 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -82.6 | -28.5 | 178.9 | -68 | 168.1 | -163.1 | 0 | 0 | 112.4 | S235 F237 | S235-E239 PolarHBondContact O-N 3.04Å; F237-E239 VanDerWaalsContact C-N 3.29Å |
| 240 | A | 59.2 | Low | 75.5 | Confident | 52 Ų | 52 | 109.3 Ų | 109.3 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | trans | -94.1 | 105.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 241 | D | 65.4 | Low | 75.1 | Confident | 42 Ų | 42 | 106.3 Ų | 106.3 | 23% | 0.225 | 52% | 0.518 | C | S | . | . | trans | -82.1 | 124.2 | 168.4 | -61.9 | -39.2 | 0 | 0 | 0 | 110.2 | I243 I252 H254 K275 Y276 | D241-I243 HydrophobicContact CB-CG1 4.37Å; D241-I243 PolarHBondContact O-N 3.26Å; D241-I252 HydrophobicContact CB-CG2 4.33Å; D241-H254 IonicContact OD1-CD2 3.65Å; D241-H254 PolarHBondContact OD1-CD2 3.21Å; D241-H254 IonicContact OD1-CG 3.02Å; D241-H254 IonicContact OD1-NE2 3Å; D241-K275 IonicContact OD1-NZ 3.82Å; D241-K275 WeakPolarHBondContact OD2-CE 3.43Å; D241-K275 IonicContact OD2-NZ 3.44Å; D241-K275 PolarHBondContact OD2-NZ 2.93Å; D241-Y276 PolarHBondContact OD1-OH 3.48Å; D241-Y276 PolarHBondContact OD2-OH 3.47Å | ||
| 242 | L | 65.5 | Low | 74.5 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 100.7 | 171.3 | -75.8 | 173.2 | 0 | 0 | 0 | 108.6 | I253 M255 | L242-I253 HydrophobicContact CB-CB 3.98Å; L242-I253 PolarHBondContact N-O 2.89Å; L242-I253 PolarHBondContact O-N 3.04Å; L242-M255 HydrophobicContact CD1-SD 4.45Å |
| 243 | I | 71.7 | Confident | 73.8 | Confident | 88 Ų | 88 | 105.4 Ų | 105.4 | 45% | 0.451 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.4 | 175.2 | -54.7 | 176.8 | 0 | 0 | 0 | 108.7 | D241 L250 I252 L279 | D241-I243 HydrophobicContact CB-CG1 4.37Å; D241-I243 PolarHBondContact O-N 3.26Å; I243-L250 HydrophobicContact CG2-CD2 3.7Å; I243-I252 HydrophobicContact CG1-CG1 4.29Å; I243-I252 HydrophobicContact CG1-CG2 4.31Å; I243-I252 HydrophobicContact CG2-CG1 4.4Å; I243-L279 HydrophobicContact CD1-CD1 4.41Å |
| 244 | L | 76.2 | Confident | 73 | Confident | 95 Ų | 95 | 103.1 Ų | 103.1 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.8 | 175.2 | -59.2 | 174.2 | 0 | 0 | 0 | 109.2 | S251 I253 | L244-S251 PolarHBondContact N-O 3.32Å; L244-S251 PolarHBondContact O-N 3.31Å; L244-I253 HydrophobicContact CD1-CD1 3.65Å; L244-I253 HydrophobicContact CD1-CG1 4.48Å; L244-I253 HydrophobicContact CG-CD1 4.49Å |
| 245 | R | 77.8 | Confident | 72.1 | Confident | 200 Ų | 200 | 105.8 Ų | 105.8 | 76% | 0.755 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.5 | 175.1 | -173.1 | 177.1 | 174.4 | 173.2 | -0.6 | 110.4 | G247 L250 | R245-G247 PolarHBondContact NE-O 2.95Å; R245-L250 HydrophobicContact CB-CD2 3.86Å; R245-L250 HydrophobicContact CG-CD2 4Å |
| 246 | R | 78.5 | Confident | 71.4 | Confident | 222 Ų | 222 | 104.2 Ų | 104.2 | 84% | 0.838 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 100.7 | 171.2 | -168.1 | 178.4 | -177.1 | -179.1 | 0.2 | 109.3 | Q248 R249 | R246-Q248 PolarHBondContact O-N 3.38Å; R246-R249 PolarHBondContact N-O 3.39Å; R246-R249 PolarHBondContact O-N 2.93Å |
| 247 | G | 84.4 | Confident | 70.6 | Confident | 59 Ų | 59 | 98 Ų | 98 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -122.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R245 | R245-G247 PolarHBondContact NE-O 2.95Š|
| 248 | Q | 83.4 | Confident | 70.3 | Confident | 200 Ų | 200 | 95.7 Ų | 95.7 | 94% | 0.935 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.2 | 174 | -72.4 | 179 | -21.6 | 0 | 0 | 113.8 | R246 | R246-Q248 PolarHBondContact O-N 3.38Š|
| 249 | R | 80.9 | Confident | 70.3 | Confident | 189 Ų | 189 | 99.2 Ų | 99.2 | 71% | 0.713 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122 | -178.1 | -169.2 | 172.8 | 179.4 | 158.6 | 1.3 | 111.2 | R246 | R246-R249 PolarHBondContact N-O 3.39Å; R246-R249 PolarHBondContact O-N 2.93Å |
| 250 | L | 79.6 | Confident | 71.2 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.3 | 167.8 | -75.3 | 159.5 | 0 | 0 | 0 | 109.5 | I243 R245 | I243-L250 HydrophobicContact CG2-CD2 3.7Å; R245-L250 HydrophobicContact CB-CD2 3.86Å; R245-L250 HydrophobicContact CG-CD2 4Å |
| 251 | S | 79.3 | Confident | 72.4 | Confident | 49 Ų | 49 | 96.1 Ų | 96.1 | 34% | 0.343 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 111.9 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 108.6 | L244 | L244-S251 PolarHBondContact N-O 3.32Å; L244-S251 PolarHBondContact O-N 3.31Å |
| 252 | I | 73.6 | Confident | 73.3 | Confident | 52 Ų | 52 | 99.6 Ų | 99.6 | 27% | 0.267 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.9 | -178.6 | -52.7 | 176.9 | 0 | 0 | 0 | 108.7 | D241 I243 Y276 L279 | D241-I252 HydrophobicContact CB-CG2 4.33Å; I243-I252 HydrophobicContact CG1-CG1 4.29Å; I243-I252 HydrophobicContact CG1-CG2 4.31Å; I243-I252 HydrophobicContact CG2-CG1 4.4Å; I252-Y276 HydrophobicContact CD1-CD1 3.4Å; I252-Y276 HydrophobicContact CD1-CD2 3.93Å; I252-Y276 HydrophobicContact CD1-CE1 4Å; I252-Y276 HydrophobicContact CD1-CE2 4.49Å; I252-Y276 HydrophobicContact CD1-CG 3.37Å; I252-Y276 HydrophobicContact CG2-CD1 4.29Å; I252-Y276 HydrophobicContact CG2-CD2 4.14Å; I252-Y276 HydrophobicContact CG2-CE1 3.83Å; I252-Y276 HydrophobicContact CG2-CE2 3.7Å; I252-Y276 HydrophobicContact CG2-CG 4.43Å; I252-L279 HydrophobicContact CD1-CD1 3.68Å |
| 253 | I | 70.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 101.5 | 176.5 | -56.1 | 172.5 | 0 | 0 | 0 | 107.8 | L242 L244 M255 | L242-I253 HydrophobicContact CB-CB 3.98Å; L242-I253 PolarHBondContact N-O 2.89Å; L242-I253 PolarHBondContact O-N 3.04Å; L244-I253 HydrophobicContact CD1-CD1 3.65Å; L244-I253 HydrophobicContact CD1-CG1 4.48Å; L244-I253 HydrophobicContact CG-CD1 4.49Å; I253-M255 HydrophobicContact CG2-CG 4.04Å |
| 254 | H | 65.5 | Low | 74.7 | Confident | 33 Ų | 33 | 105.6 Ų | 105.6 | 15% | 0.153 | 51% | 0.51 | C | S | . | . | trans | -98.2 | 100.1 | 173.8 | -171.4 | -65.8 | 0 | 0 | 0 | 110.2 | D241 A256 K272 Y276 | D241-H254 IonicContact OD1-CD2 3.65Å; D241-H254 PolarHBondContact OD1-CD2 3.21Å; D241-H254 IonicContact OD1-CG 3.02Å; D241-H254 IonicContact OD1-NE2 3Å; H254-A256 VanDerWaalsContact C-N 3.27Å; H254-A256 PolarHBondContact ND1-O 3.24Å; H254-A256 PolarHBondContact O-N 3.26Å; H254-A256 VanDerWaalsContact O-N 3.16Å; H254-K272 HydrophobicContact CB-CD 4.12Å; H254-K272 VanDerWaalsContact CG-CE 3.5Å; H254-K272 WeakPolarHBondContact ND1-CE 3.23Å; H254-K272 PolarHBondContact ND1-NZ 3.04Å; H254-Y276 PolarHBondContact CD2-OH 2.89Å; H254-Y276 VanDerWaalsContact CD2-OH 3.32Å | ||
| 255 | M | 60.4 | Low | 74.8 | Confident | 95 Ų | 95 | 103.9 Ų | 103.9 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | trans | -71.6 | -9.5 | -166.8 | -63.1 | -158.2 | -47.6 | 0 | 0 | 116 | F237 L242 I253 | F237-M255 HydrophobicContact CB-CE 3.64Å; F237-M255 HydrophobicContact CD1-CE 3.13Å; F237-M255 HydrophobicContact CD2-CE 3.9Å; F237-M255 HydrophobicContact CE1-CE 3.63Å; F237-M255 HydrophobicContact CE2-CE 4.34Å; F237-M255 HydrophobicContact CG-CE 3.28Å; F237-M255 HydrophobicContact CZ-CE 4.21Å; L242-M255 HydrophobicContact CD1-SD 4.45Å; I253-M255 HydrophobicContact CG2-CG 4.04Å | ||
| 256 | A | 61.9 | Low | 75.2 | Confident | 18 Ų | 18 | 97 Ų | 97 | 15% | 0.149 | 48% | 0.484 | C | S | . | . | trans | -102.9 | 93.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K238 H254 K272 | K238-A256 HydrophobicContact CB-CB 4.47Å; K238-A256 HydrophobicContact CD-CB 4.33Å; K238-A256 HydrophobicContact CG-CB 3.37Å; H254-A256 VanDerWaalsContact C-N 3.27Å; H254-A256 PolarHBondContact ND1-O 3.24Å; H254-A256 PolarHBondContact O-N 3.26Å; H254-A256 VanDerWaalsContact O-N 3.16Å; A256-K272 PolarHBondContact O-NZ 3.05Å | ||
| 257 | V | 58.6 | Low | 75.4 | Confident | 41 Ų | 41 | 89.5 Ų | 89.5 | 25% | 0.248 | 47% | 0.47 | C | S | . | . | trans | -113 | 115.9 | 158.2 | -161.6 | 0 | 0 | 0 | 0 | 106.6 | W259 F265 | V257-W259 VanDerWaalsContact O-CD1 3.22Å; V257-W259 PolarHBondContact O-N 3.48Å; V257-F265 HydrophobicContact CB-CD2 4.35Å; V257-F265 HydrophobicContact CB-CE2 4.41Å; V257-F265 HydrophobicContact CG1-CD2 3.31Å; V257-F265 HydrophobicContact CG1-CE2 3.65Å; V257-F265 HydrophobicContact CG1-CG 4.25Å | ||
| 258 | P | 62.1 | Low | 75.3 | Confident | 49 Ų | 49 | 87.6 Ų | 87.6 | 32% | 0.318 | 45% | 0.447 | S | S | . | . | trans | -59 | 121.6 | 166.3 | -16.3 | 29.3 | 0 | 0 | 0 | 108.2 | D260 | P258-D260 VanDerWaalsContact C-N 3.31Š| ||
| 259 | W | 64.2 | Low | 75.2 | Confident | 192 Ų | 192 | 84.4 Ų | 84.4 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | trans | -95 | 6.2 | 174.4 | -71.8 | 96.9 | 0 | 0 | 0 | 111.9 | V257 S261 F265 | V257-W259 VanDerWaalsContact O-CD1 3.22Å; V257-W259 PolarHBondContact O-N 3.48Å; W259-S261 PolarHBondContact O-N 3.08Å; W259-F265 HydrophobicContact CD2-CD2 4.04Å; W259-F265 HydrophobicContact CD2-CE2 4.3Å; W259-F265 AromaticContact CE3-CD2 3.68Å; W259-F265 HydrophobicContact CE3-CD2 3.68Å; W259-F265 AromaticContact CE3-CE2 3.97Å; W259-F265 HydrophobicContact CE3-CE2 3.97Å; W259-F265 HydrophobicContact CE3-CG 4.41Å; W259-F265 AromaticContact CH2-CD2 3.86Å; W259-F265 HydrophobicContact CH2-CD2 3.86Å; W259-F265 AromaticContact CH2-CE2 3.23Å; W259-F265 HydrophobicContact CH2-CE2 3.23Å; W259-F265 AromaticContact CH2-CZ 3.77Å; W259-F265 HydrophobicContact CH2-CZ 3.77Å; W259-F265 HydrophobicContact CZ2-CD2 4.18Å; W259-F265 AromaticContact CZ2-CE2 3.59Å; W259-F265 HydrophobicContact CZ2-CE2 3.59Å; W259-F265 HydrophobicContact CZ2-CZ 4.44Å; W259-F265 AromaticContact CZ3-CD2 3.58Å; W259-F265 HydrophobicContact CZ3-CD2 3.58Å; W259-F265 AromaticContact CZ3-CE2 3.43Å; W259-F265 HydrophobicContact CZ3-CE2 3.43Å; W259-F265 VanDerWaalsContact CZ3-CE2 3.43Å; W259-F265 HydrophobicContact CZ3-CG 4.29Å; W259-F265 HydrophobicContact CZ3-CZ 4Å | ||
| 260 | D | 77.4 | Confident | 75.4 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -63.1 | -30 | -169.5 | -23.5 | -29.6 | 0 | 0 | 0 | 112.6 | P258 R264 | P258-D260 VanDerWaalsContact C-N 3.31Å; D260-R264 IonicContact OD2-NH1 2.95Å; D260-R264 PolarHBondContact OD2-NH1 3.26Å |
| 261 | S | 82.9 | Confident | 75.6 | Confident | 32 Ų | 32 | 81.3 Ų | 81.3 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | trans | -148.8 | 150.2 | 172 | 73.3 | 0 | 0 | 0 | 0 | 111.9 | W259 E263 R264 F265 | W259-S261 PolarHBondContact O-N 3.08Å; S261-E263 PolarHBondContact O-N 3.33Å; S261-R264 PolarHBondContact O-N 3.39Å; S261-R264 WeakPolarHBondContact OG-CB 3.48Å; S261-R264 WeakPolarHBondContact OG-CG 3.2Å; S261-R264 PolarHBondContact OG-N 3.33Å; S261-R264 VanDerWaalsContact OG-N 3.16Å; S261-F265 PolarHBondContact O-N 3.3Å | ||
| 262 | P | 85 | Confident | 75.6 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 74% | 0.74 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -54.8 | -36.5 | 175.1 | -25.6 | 34.3 | 0 | 0 | 0 | 113 | F265 A266 | P262-F265 WeakPolarHBondContact O-CB 3.3Å; P262-F265 PolarHBondContact O-N 3.25Å; P262-A266 WeakPolarHBondContact O-CB 3.27Å; P262-A266 PolarHBondContact O-N 3.39Å |
| 263 | E | 86.3 | Confident | 76.1 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 75% | 0.748 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.4 | -47.9 | 178.6 | -64.9 | 169.8 | -176.4 | 0 | 0 | 112.2 | S261 F265 A266 A267 | S261-E263 PolarHBondContact O-N 3.33Å; E263-F265 VanDerWaalsContact C-N 3.27Å; E263-F265 PolarHBondContact O-N 3.25Å; E263-A266 PolarHBondContact O-N 2.98Å; E263-A267 WeakPolarHBondContact O-CB 3.31Å; E263-A267 PolarHBondContact O-N 2.87Å |
| 264 | R | 79.6 | Confident | 76.8 | Confident | 146 Ų | 146 | 85.5 Ų | 85.5 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -37.2 | 176 | -78 | -177.9 | 176.3 | -179 | 3.1 | 111.4 | D260 S261 S268 | D260-R264 IonicContact OD2-NH1 2.95Å; D260-R264 PolarHBondContact OD2-NH1 3.26Å; S261-R264 PolarHBondContact O-N 3.39Å; S261-R264 WeakPolarHBondContact OG-CB 3.48Å; S261-R264 WeakPolarHBondContact OG-CG 3.2Å; S261-R264 PolarHBondContact OG-N 3.33Å; S261-R264 VanDerWaalsContact OG-N 3.16Å; R264-S268 WeakPolarHBondContact O-CB 3.35Å; R264-S268 PolarHBondContact O-N 3.41Å |
| 265 | F | 80.1 | Confident | 77.6 | Confident | 59 Ų | 59 | 87.6 Ų | 87.6 | 26% | 0.259 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 174 | 178.5 | -92.7 | 0 | 0 | 0 | 111.1 | V257 W259 S261 P262 E263 S268 R269 | V257-F265 HydrophobicContact CB-CD2 4.35Å; V257-F265 HydrophobicContact CB-CE2 4.41Å; V257-F265 HydrophobicContact CG1-CD2 3.31Å; V257-F265 HydrophobicContact CG1-CE2 3.65Å; V257-F265 HydrophobicContact CG1-CG 4.25Å; W259-F265 HydrophobicContact CD2-CD2 4.04Å; W259-F265 HydrophobicContact CD2-CE2 4.3Å; W259-F265 AromaticContact CE3-CD2 3.68Å; W259-F265 HydrophobicContact CE3-CD2 3.68Å; W259-F265 AromaticContact CE3-CE2 3.97Å; W259-F265 HydrophobicContact CE3-CE2 3.97Å; W259-F265 HydrophobicContact CE3-CG 4.41Å; W259-F265 AromaticContact CH2-CD2 3.86Å; W259-F265 HydrophobicContact CH2-CD2 3.86Å; W259-F265 AromaticContact CH2-CE2 3.23Å; W259-F265 HydrophobicContact CH2-CE2 3.23Å; W259-F265 AromaticContact CH2-CZ 3.77Å; W259-F265 HydrophobicContact CH2-CZ 3.77Å; W259-F265 HydrophobicContact CZ2-CD2 4.18Å; W259-F265 AromaticContact CZ2-CE2 3.59Å; W259-F265 HydrophobicContact CZ2-CE2 3.59Å; W259-F265 HydrophobicContact CZ2-CZ 4.44Å; W259-F265 AromaticContact CZ3-CD2 3.58Å; W259-F265 HydrophobicContact CZ3-CD2 3.58Å; W259-F265 AromaticContact CZ3-CE2 3.43Å; W259-F265 HydrophobicContact CZ3-CE2 3.43Å; W259-F265 VanDerWaalsContact CZ3-CE2 3.43Å; W259-F265 HydrophobicContact CZ3-CG 4.29Å; W259-F265 HydrophobicContact CZ3-CZ 4Å; S261-F265 PolarHBondContact O-N 3.3Å; P262-F265 WeakPolarHBondContact O-CB 3.3Å; P262-F265 PolarHBondContact O-N 3.25Å; E263-F265 VanDerWaalsContact C-N 3.27Å; E263-F265 PolarHBondContact O-N 3.25Å; F265-S268 PolarHBondContact O-N 2.77Å; F265-R269 VanDerWaalsContact O-CB 3.32Å; F265-R269 WeakPolarHBondContact O-CB 3.34Å; F265-R269 PolarHBondContact O-N 3.07Å |
| 266 | A | 84.3 | Confident | 78.5 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P262 E263 R269 A270 | P262-A266 WeakPolarHBondContact O-CB 3.27Å; P262-A266 PolarHBondContact O-N 3.39Å; E263-A266 PolarHBondContact O-N 2.98Å; A266-R269 PolarHBondContact O-N 3.2Å; A266-A270 WeakPolarHBondContact O-CB 3.15Å; A266-A270 PolarHBondContact O-N 2.86Å |
| 267 | A | 84.7 | Confident | 79.5 | Confident | 64 Ų | 64 | 86 Ų | 86 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E263 R269 A270 Y271 | E263-A267 WeakPolarHBondContact O-CB 3.31Å; E263-A267 PolarHBondContact O-N 2.87Å; A267-R269 VanDerWaalsContact C-N 3.33Å; A267-R269 PolarHBondContact O-N 2.6Å; A267-A270 PolarHBondContact O-N 2.95Å; A267-Y271 WeakPolarHBondContact O-CB 2.98Å; A267-Y271 PolarHBondContact O-N 3.14Å |
| 268 | S | 80.6 | Confident | 80.5 | Confident | 20 Ų | 20 | 90.2 Ų | 90.2 | 14% | 0.14 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | R264 F265 K272 | R264-S268 WeakPolarHBondContact O-CB 3.35Å; R264-S268 PolarHBondContact O-N 3.41Å; F265-S268 PolarHBondContact O-N 2.77Å; S268-K272 WeakPolarHBondContact O-CB 3.07Å; S268-K272 WeakPolarHBondContact O-CD 3.34Å; S268-K272 WeakPolarHBondContact O-CG 3.49Å; S268-K272 PolarHBondContact O-N 3.26Å; S268-K272 WeakPolarHBondContact OG-CE 3.32Å |
| 269 | R | 82.3 | Confident | 81.1 | Confident | 132 Ų | 132 | 91.7 Ų | 91.7 | 50% | 0.498 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 175.8 | -175.6 | -178.3 | 179.2 | -148.1 | 2.9 | 111.8 | F265 A266 A267 K272 R273 | F265-R269 VanDerWaalsContact O-CB 3.32Å; F265-R269 WeakPolarHBondContact O-CB 3.34Å; F265-R269 PolarHBondContact O-N 3.07Å; A266-R269 PolarHBondContact O-N 3.2Å; A267-R269 VanDerWaalsContact C-N 3.33Å; A267-R269 PolarHBondContact O-N 2.6Å; R269-K272 PolarHBondContact O-N 2.73Å; R269-R273 PolarHBondContact O-N 3.02Å |
| 270 | A | 85.5 | Confident | 81.4 | Confident | 60 Ų | 60 | 89.8 Ų | 89.8 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A266 A267 K272 R273 S274 | A266-A270 WeakPolarHBondContact O-CB 3.15Å; A266-A270 PolarHBondContact O-N 2.86Å; A267-A270 PolarHBondContact O-N 2.95Å; A270-K272 VanDerWaalsContact C-N 3.28Å; A270-K272 PolarHBondContact O-N 2.85Å; A270-R273 PolarHBondContact O-N 3.37Å; A270-S274 PolarHBondContact O-N 2.62Å |
| 271 | Y | 84 | Confident | 80.6 | Confident | 143 Ų | 143 | 93.6 Ų | 93.6 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.5 | -40.2 | 174.4 | 170.7 | -99.2 | 0 | 0 | 0 | 112.7 | A267 S274 K275 | A267-Y271 WeakPolarHBondContact O-CB 2.98Å; A267-Y271 PolarHBondContact O-N 3.14Å; Y271-S274 PolarHBondContact O-N 3.12Å; Y271-S274 PolarHBondContact O-OG 3.42Å; Y271-K275 HydrophobicContact CE1-CD 4.21Å; Y271-K275 VanDerWaalsContact O-CB 3.31Å; Y271-K275 WeakPolarHBondContact O-CB 3.46Å; Y271-K275 PolarHBondContact O-N 2.87Å |
| 272 | K | 79.4 | Confident | 80.5 | Confident | 23 Ų | 23 | 96.7 Ų | 96.7 | 10% | 0.1 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 177.9 | -73.7 | 170.1 | -171.2 | -173 | 0 | 112.4 | H254 A256 S268 R269 A270 S274 K275 Y276 | H254-K272 HydrophobicContact CB-CD 4.12Å; H254-K272 VanDerWaalsContact CG-CE 3.5Å; H254-K272 WeakPolarHBondContact ND1-CE 3.23Å; H254-K272 PolarHBondContact ND1-NZ 3.04Å; A256-K272 PolarHBondContact O-NZ 3.05Å; S268-K272 WeakPolarHBondContact O-CB 3.07Å; S268-K272 WeakPolarHBondContact O-CD 3.34Å; S268-K272 WeakPolarHBondContact O-CG 3.49Å; S268-K272 PolarHBondContact O-N 3.26Å; S268-K272 WeakPolarHBondContact OG-CE 3.32Å; R269-K272 PolarHBondContact O-N 2.73Å; A270-K272 VanDerWaalsContact C-N 3.28Å; A270-K272 PolarHBondContact O-N 2.85Å; K272-S274 VanDerWaalsContact C-N 3.33Å; K272-K275 PolarHBondContact O-N 2.76Å; K272-Y276 HydrophobicContact CB-CE2 4.37Å; K272-Y276 WeakPolarHBondContact O-CD2 3.25Å; K272-Y276 PolarHBondContact O-N 2.93Å; K272-Y276 VanDerWaalsContact O-N 3.14Å |
| 273 | R | 82.8 | Confident | 80.3 | Confident | 169 Ų | 169 | 95.7 Ų | 95.7 | 64% | 0.638 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.5 | -45.1 | 174.8 | -80.6 | -176.5 | 165.7 | -175.7 | -7.7 | 111 | R269 A270 Y276 A277 | R269-R273 PolarHBondContact O-N 3.02Å; A270-R273 PolarHBondContact O-N 3.37Å; R273-Y276 PolarHBondContact O-N 2.85Å; R273-A277 PolarHBondContact O-N 3.22Å |
| 274 | S | 85.7 | Confident | 80 | Confident | 75 Ų | 75 | 92.2 Ų | 92.2 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 176.9 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | A270 Y271 K272 Y276 A277 | A270-S274 PolarHBondContact O-N 2.62Å; Y271-S274 PolarHBondContact O-N 3.12Å; Y271-S274 PolarHBondContact O-OG 3.42Å; K272-S274 VanDerWaalsContact C-N 3.33Å; S274-Y276 VanDerWaalsContact C-N 3.27Å; S274-Y276 PolarHBondContact O-N 3.45Å; S274-A277 PolarHBondContact O-N 3.27Å |
| 275 | K | 81.9 | Confident | 80 | Confident | 76 Ų | 76 | 89 Ų | 89 | 33% | 0.33 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.2 | -37.9 | 177.2 | -178.4 | -179 | 170.6 | -168.6 | 0 | 112.9 | D241 Y271 K272 | D241-K275 IonicContact OD1-NZ 3.82Å; D241-K275 WeakPolarHBondContact OD2-CE 3.43Å; D241-K275 IonicContact OD2-NZ 3.44Å; D241-K275 PolarHBondContact OD2-NZ 2.93Å; Y271-K275 HydrophobicContact CE1-CD 4.21Å; Y271-K275 VanDerWaalsContact O-CB 3.31Å; Y271-K275 WeakPolarHBondContact O-CB 3.46Å; Y271-K275 PolarHBondContact O-N 2.87Å; K272-K275 PolarHBondContact O-N 2.76Å |
| 276 | Y | 80.1 | Confident | 80 | Confident | 31 Ų | 31 | 90.9 Ų | 90.9 | 12% | 0.122 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -103.3 | 1 | -178.3 | -55.5 | -60.4 | 0 | 0 | 0 | 115.3 | D241 I252 H254 K272 R273 S274 V278 L279 | D241-Y276 PolarHBondContact OD1-OH 3.48Å; D241-Y276 PolarHBondContact OD2-OH 3.47Å; I252-Y276 HydrophobicContact CD1-CD1 3.4Å; I252-Y276 HydrophobicContact CD1-CD2 3.93Å; I252-Y276 HydrophobicContact CD1-CE1 4Å; I252-Y276 HydrophobicContact CD1-CE2 4.49Å; I252-Y276 HydrophobicContact CD1-CG 3.37Å; I252-Y276 HydrophobicContact CG2-CD1 4.29Å; I252-Y276 HydrophobicContact CG2-CD2 4.14Å; I252-Y276 HydrophobicContact CG2-CE1 3.83Å; I252-Y276 HydrophobicContact CG2-CE2 3.7Å; I252-Y276 HydrophobicContact CG2-CG 4.43Å; H254-Y276 PolarHBondContact CD2-OH 2.89Å; H254-Y276 VanDerWaalsContact CD2-OH 3.32Å; K272-Y276 HydrophobicContact CB-CE2 4.37Å; K272-Y276 WeakPolarHBondContact O-CD2 3.25Å; K272-Y276 PolarHBondContact O-N 2.93Å; K272-Y276 VanDerWaalsContact O-N 3.14Å; R273-Y276 PolarHBondContact O-N 2.85Å; S274-Y276 VanDerWaalsContact C-N 3.27Å; S274-Y276 PolarHBondContact O-N 3.45Å; Y276-V278 PolarHBondContact O-N 3Å; Y276-V278 VanDerWaalsContact O-N 3.15Å; Y276-L279 HydrophobicContact CD1-CD1 3.82Å; Y276-L279 WeakPolarHBondContact O-CB 3.1Å; Y276-L279 PolarHBondContact O-N 3.46Å |
| 277 | A | 82.5 | Confident | 79.7 | Confident | 49 Ų | 49 | 93.3 Ų | 93.3 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R273 S274 L279 E280 | R273-A277 PolarHBondContact O-N 3.22Å; S274-A277 PolarHBondContact O-N 3.27Å; A277-L279 PolarHBondContact O-N 2.94Å; A277-E280 PolarHBondContact O-N 2.65Å; A277-E280 VanDerWaalsContact O-N 3.15Å |
| 278 | V | 80 | Confident | 79.3 | Confident | 130 Ų | 130 | 95.4 Ų | 95.4 | 79% | 0.788 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.5 | 176.6 | -167.7 | 0 | 0 | 0 | 0 | 113.2 | Y276 | Y276-V278 PolarHBondContact O-N 3Å; Y276-V278 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 73.7 | Confident | 79.2 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.414 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.7 | 177.9 | -60.7 | 176.9 | 0 | 0 | 0 | 113 | I243 I252 Y276 A277 | I243-L279 HydrophobicContact CD1-CD1 4.41Å; I252-L279 HydrophobicContact CD1-CD1 3.68Å; Y276-L279 HydrophobicContact CD1-CD1 3.82Å; Y276-L279 WeakPolarHBondContact O-CB 3.1Å; Y276-L279 PolarHBondContact O-N 3.46Å; A277-L279 PolarHBondContact O-N 2.94Å |
| 280 | E | 70.1 | Confident | 79 | Confident | 152 Ų | 152 | 98.6 Ų | 98.6 | 71% | 0.71 | 53% | 0.53 | S | S | * | . | trans | -71 | 124.1 | 170.7 | -66.1 | -175 | 166.8 | 0 | 0 | 107.9 | A277 | A277-E280 PolarHBondContact O-N 2.65Å; A277-E280 VanDerWaalsContact O-N 3.15Å | ||
| 281 | P | 62.2 | Low | 78.4 | Confident | 196 Ų | 196 | 102.1 Ų | 102.1 | 100% | 1.273 | 53% | 0.533 | S | S | * | . | trans | -65.1 | 0 | -178.7 | 28.2 | -34.9 | 0 | 0 | 0 | 112.9 |
Retrieved 281 of 281 residues in 80.1 ms
(Link to these results)