| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.4 | Very low | 83 | Confident | 243 Ų | 243 | 92 Ų | 92 | 100% | 1.197 | 45% | 0.445 | S | S | * | . | 0 | 131.3 | 0 | -66.5 | 170.1 | 84.9 | 0 | 0 | 107.2 | |||||
| 2 | R | 66.1 | Low | 84.2 | Confident | 153 Ų | 153 | 84.3 Ų | 84.3 | 58% | 0.577 | 41% | 0.408 | S | S | * | . | trans | -66.2 | 143.5 | 174.6 | -75.6 | 165.3 | 172.1 | -156.6 | -0.8 | 108.9 | F6 F7 E10 | R2-F6 HydrophobicContact CB-CB 4.34Å; R2-F6 HydrophobicContact CB-CD1 3.8Å; R2-F6 HydrophobicContact CB-CE1 4.49Å; R2-F6 HydrophobicContact CB-CG 4.14Å; R2-F6 HydrophobicContact CG-CD1 3.8Å; R2-F6 HydrophobicContact CG-CE1 4.04Å; R2-F6 HydrophobicContact CG-CG 4.2Å; R2-F6 VanDerWaalsContact CZ-CE1 3.41Å; R2-F6 VanDerWaalsContact CZ-CZ 3.45Å; R2-F7 HydrophobicContact CB-CD2 4.45Å; R2-F7 HydrophobicContact CB-CE1 4.45Å; R2-F7 HydrophobicContact CB-CE2 3.71Å; R2-F7 HydrophobicContact CB-CZ 3.72Å; R2-E10 IonicContact NH1-OE1 3.46Å; R2-E10 PolarHBondContact NH1-OE1 3.47Å; R2-E10 VanDerWaalsContact NH1-OE1 3.13Å; R2-E10 IonicContact NH1-OE2 3.49Å | ||
| 3 | S | 81.1 | Confident | 85.1 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | trans | -76 | 160 | -178.2 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | G5 F6 F7 | S3-G5 PolarHBondContact O-N 2.57Å; S3-F6 WeakPolarHBondContact O-CB 3.13Å; S3-F6 PolarHBondContact O-N 3.03Å; S3-F7 WeakPolarHBondContact O-CD2 3.43Å; S3-F7 PolarHBondContact O-N 2.95Å | ||
| 4 | E | 82.7 | Confident | 85.9 | Confident | 110 Ų | 110 | 83.3 Ų | 83.3 | 51% | 0.514 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -53.8 | -40.4 | 176 | -169.2 | 178.8 | 162 | 0 | 0 | 112 | F6 F7 K8 R32 Y33 | E4-F6 VanDerWaalsContact C-N 3.33Å; E4-F6 PolarHBondContact O-N 3.02Å; E4-F7 PolarHBondContact O-N 3.26Å; E4-K8 PolarHBondContact O-N 3.4Å; E4-R32 IonicContact OE1-NH1 3.46Å; E4-R32 IonicContact OE2-CZ 2.94Å; E4-R32 IonicContact OE2-NH1 2.68Å; E4-R32 PolarHBondContact OE2-NH1 2.91Å; E4-Y33 HydrophobicContact CB-CE2 4.22Å; E4-Y33 HydrophobicContact CG-CD2 4.46Å; E4-Y33 HydrophobicContact CG-CE2 4.06Å |
| 5 | G | 80.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.3 | -30.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S3 K8 K9 | S3-G5 PolarHBondContact O-N 2.57Å; G5-K8 PolarHBondContact O-N 3.28Å; G5-K9 PolarHBondContact O-N 3.25Å |
| 6 | F | 84.2 | Confident | 87.1 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 178.1 | 177.1 | -80.6 | 0 | 0 | 0 | 111.2 | R2 S3 E4 K8 K9 E10 | R2-F6 HydrophobicContact CB-CB 4.34Å; R2-F6 HydrophobicContact CB-CD1 3.8Å; R2-F6 HydrophobicContact CB-CE1 4.49Å; R2-F6 HydrophobicContact CB-CG 4.14Å; R2-F6 HydrophobicContact CG-CD1 3.8Å; R2-F6 HydrophobicContact CG-CE1 4.04Å; R2-F6 HydrophobicContact CG-CG 4.2Å; R2-F6 VanDerWaalsContact CZ-CE1 3.41Å; R2-F6 VanDerWaalsContact CZ-CZ 3.45Å; S3-F6 WeakPolarHBondContact O-CB 3.13Å; S3-F6 PolarHBondContact O-N 3.03Å; E4-F6 VanDerWaalsContact C-N 3.33Å; E4-F6 PolarHBondContact O-N 3.02Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.08Å; F6-K9 PolarHBondContact O-N 3.35Å; F6-E10 HydrophobicContact CE1-CG 3.99Å; F6-E10 WeakPolarHBondContact CE1-OE1 3.48Å; F6-E10 WeakPolarHBondContact CE1-OE2 3.31Å; F6-E10 HydrophobicContact CZ-CG 4.3Å; F6-E10 WeakPolarHBondContact CZ-OE1 3.31Å; F6-E10 PolarHBondContact O-N 3.28Å |
| 7 | F | 90.2 | Very high | 87.4 | Confident | 103 Ų | 103 | 79.2 Ų | 79.2 | 45% | 0.452 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177.2 | -66.4 | -70.1 | 0 | 0 | 0 | 111.6 | R2 S3 E4 K9 E10 D11 | R2-F7 HydrophobicContact CB-CD2 4.45Å; R2-F7 HydrophobicContact CB-CE1 4.45Å; R2-F7 HydrophobicContact CB-CE2 3.71Å; R2-F7 HydrophobicContact CB-CZ 3.72Å; S3-F7 WeakPolarHBondContact O-CD2 3.43Å; S3-F7 PolarHBondContact O-N 2.95Å; E4-F7 PolarHBondContact O-N 3.26Å; F7-K9 VanDerWaalsContact C-N 3.32Å; F7-K9 PolarHBondContact O-N 2.65Å; F7-E10 PolarHBondContact O-N 3.25Å; F7-D11 PolarHBondContact O-N 3.22Å |
| 8 | K | 95.2 | Very high | 87.6 | Confident | 21 Ų | 21 | 82.9 Ų | 82.9 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.3 | -167.1 | 178.5 | -169.5 | -172.8 | 0 | 112.5 | E4 G5 F6 D11 I12 F28 S31 R32 G34 V36 | E4-K8 PolarHBondContact O-N 3.4Å; G5-K8 PolarHBondContact O-N 3.28Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.08Å; K8-D11 PolarHBondContact O-N 2.95Å; K8-I12 HydrophobicContact CG-CD1 4Å; K8-I12 HydrophobicContact CG-CG1 4.5Å; K8-I12 WeakPolarHBondContact O-CD1 3.45Å; K8-I12 VanDerWaalsContact O-CG1 3.22Å; K8-I12 WeakPolarHBondContact O-CG1 2.99Å; K8-I12 PolarHBondContact O-N 3.42Å; K8-F28 WeakPolarHBondContact CE-O 3.45Å; K8-F28 PolarHBondContact NZ-O 2.97Å; K8-S31 WeakPolarHBondContact CE-OG 3.25Å; K8-S31 PolarHBondContact NZ-O 2.97Å; K8-S31 PolarHBondContact NZ-OG 2.89Å; K8-R32 PolarHBondContact NZ-O 3.37Å; K8-G34 WeakPolarHBondContact CE-O 3.5Å; K8-G34 PolarHBondContact NZ-O 3.19Å; K8-V36 HydrophobicContact CB-CG2 4Å; K8-V36 HydrophobicContact CD-CG2 4.01Å; K8-V36 HydrophobicContact CG-CG2 4.05Å |
| 9 | K | 96 | Very high | 87.7 | Confident | 46 Ų | 46 | 88.7 Ų | 88.7 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.9 | 178.8 | 162.8 | -177.5 | 166.3 | 0 | 111.5 | G5 F6 F7 I12 L13 V36 D37 D39 V40 | G5-K9 PolarHBondContact O-N 3.25Å; F6-K9 PolarHBondContact O-N 3.35Å; F7-K9 VanDerWaalsContact C-N 3.32Å; F7-K9 PolarHBondContact O-N 2.65Å; K9-I12 PolarHBondContact O-N 2.88Å; K9-L13 HydrophobicContact CG-CD1 4.05Å; K9-L13 HydrophobicContact CG-CG 4.49Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.31Å; K9-L13 PolarHBondContact O-N 3.36Å; K9-V36 HydrophobicContact CB-CG1 4.42Å; K9-V36 HydrophobicContact CB-CG2 4.46Å; K9-D37 VanDerWaalsContact CD-OD2 3.3Å; K9-D37 WeakPolarHBondContact CD-OD2 3.48Å; K9-D37 WeakPolarHBondContact CE-OD2 3.41Å; K9-D37 IonicContact NZ-OD1 3.45Å; K9-D37 PolarHBondContact NZ-OD1 3.45Å; K9-D37 IonicContact NZ-OD2 3.61Å; K9-D37 PolarHBondContact NZ-OD2 3.2Å; K9-D39 IonicContact NZ-OD2 2.84Å; K9-D39 PolarHBondContact NZ-OD2 3.3Å; K9-V40 HydrophobicContact CD-CG2 3.97Å; K9-V40 HydrophobicContact CG-CG2 3.74Å |
| 10 | E | 94.9 | Very high | 87.8 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 176 | -71.7 | -177.5 | 156.8 | 0 | 0 | 111.4 | R2 F6 F7 I12 L13 E14 | R2-E10 IonicContact NH1-OE1 3.46Å; R2-E10 PolarHBondContact NH1-OE1 3.47Å; R2-E10 VanDerWaalsContact NH1-OE1 3.13Å; R2-E10 IonicContact NH1-OE2 3.49Å; F6-E10 HydrophobicContact CE1-CG 3.99Å; F6-E10 WeakPolarHBondContact CE1-OE1 3.48Å; F6-E10 WeakPolarHBondContact CE1-OE2 3.31Å; F6-E10 HydrophobicContact CZ-CG 4.3Å; F6-E10 WeakPolarHBondContact CZ-OE1 3.31Å; F6-E10 PolarHBondContact O-N 3.28Å; F7-E10 PolarHBondContact O-N 3.25Å; E10-I12 PolarHBondContact O-N 3.09Å; E10-L13 PolarHBondContact O-N 3.02Å; E10-E14 WeakPolarHBondContact O-CB 3.36Å; E10-E14 PolarHBondContact O-N 3.42Å |
| 11 | D | 95.9 | Very high | 88 | Confident | 82 Ų | 82 | 84.8 Ų | 84.8 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 179.3 | -69.3 | -22.5 | 0 | 0 | 0 | 112.7 | F7 K8 C15 F28 | F7-D11 PolarHBondContact O-N 3.22Å; K8-D11 PolarHBondContact O-N 2.95Å; D11-C15 WeakPolarHBondContact O-CB 3.47Å; D11-C15 PolarHBondContact O-N 3.07Å; D11-F28 HydrophobicContact CB-CE1 4.26Å; D11-F28 HydrophobicContact CB-CZ 4.04Å |
| 12 | I | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -47 | 177.9 | -65.3 | 162.7 | 0 | 0 | 0 | 110.2 | K8 K9 E10 E14 C15 V16 L25 F28 L35 V36 V40 V44 | K8-I12 HydrophobicContact CG-CD1 4Å; K8-I12 HydrophobicContact CG-CG1 4.5Å; K8-I12 WeakPolarHBondContact O-CD1 3.45Å; K8-I12 VanDerWaalsContact O-CG1 3.22Å; K8-I12 WeakPolarHBondContact O-CG1 2.99Å; K8-I12 PolarHBondContact O-N 3.42Å; K9-I12 PolarHBondContact O-N 2.88Å; E10-I12 PolarHBondContact O-N 3.09Å; I12-E14 VanDerWaalsContact C-N 3.33Å; I12-E14 PolarHBondContact O-N 2.93Å; I12-C15 WeakPolarHBondContact O-CB 3.5Å; I12-C15 PolarHBondContact O-N 3.21Å; I12-C15 VanDerWaalsContact O-N 3.14Å; I12-V16 HydrophobicContact CG2-CG2 4.5Å; I12-V16 WeakPolarHBondContact O-CG2 3.45Å; I12-V16 PolarHBondContact O-N 2.92Å; I12-L25 HydrophobicContact CG2-CD2 4.14Å; I12-F28 HydrophobicContact CB-CD2 4.45Å; I12-F28 HydrophobicContact CD1-CB 4.04Å; I12-F28 HydrophobicContact CD1-CG 4.29Å; I12-F28 HydrophobicContact CG1-CB 3.81Å; I12-F28 HydrophobicContact CG1-CD1 4.01Å; I12-F28 HydrophobicContact CG1-CD2 3.66Å; I12-F28 HydrophobicContact CG1-CE1 4.48Å; I12-F28 HydrophobicContact CG1-CE2 4.16Å; I12-F28 HydrophobicContact CG1-CG 3.57Å; I12-L35 HydrophobicContact CD1-CD2 4.16Å; I12-V36 HydrophobicContact CD1-CG2 4.38Å; I12-V40 HydrophobicContact CB-CG1 4.23Å; I12-V40 HydrophobicContact CD1-CG1 4.1Å; I12-V40 HydrophobicContact CG2-CG1 3.49Å; I12-V40 VanDerWaalsContact CG2-CG1 3.49Å; I12-V44 HydrophobicContact CG2-CG2 3.87Å |
| 13 | L | 96 | Very high | 91.7 | Very high | 56 Ų | 56 | 75.9 Ų | 75.9 | 29% | 0.293 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | -179.8 | -67.9 | 176.1 | 0 | 0 | 0 | 111.7 | K9 E10 C15 V16 N17 I43 | K9-L13 HydrophobicContact CG-CD1 4.05Å; K9-L13 HydrophobicContact CG-CG 4.49Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.31Å; K9-L13 PolarHBondContact O-N 3.36Å; E10-L13 PolarHBondContact O-N 3.02Å; L13-C15 VanDerWaalsContact C-N 3.34Å; L13-V16 PolarHBondContact O-N 3.39Å; L13-N17 WeakPolarHBondContact O-CB 3.44Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.92Å; L13-N17 PolarHBondContact O-ND2 3.14Å; L13-I43 HydrophobicContact CD2-CD1 3.99Å |
| 14 | E | 96 | Very high | 92.4 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 172.1 | -172.2 | 180 | -170.9 | 0 | 0 | 111.6 | E10 I12 N17 K18 | E10-E14 WeakPolarHBondContact O-CB 3.36Å; E10-E14 PolarHBondContact O-N 3.42Å; I12-E14 VanDerWaalsContact C-N 3.33Å; I12-E14 PolarHBondContact O-N 2.93Å; E14-N17 PolarHBondContact O-N 2.99Å; E14-K18 HydrophobicContact CG-CD 4.19Å; E14-K18 WeakPolarHBondContact O-CG 3.43Å; E14-K18 PolarHBondContact O-N 3.45Å; E14-K18 VanDerWaalsContact O-N 3.08Å; E14-K18 WeakPolarHBondContact OE1-CE 3.38Å; E14-K18 IonicContact OE1-NZ 2.57Å; E14-K18 PolarHBondContact OE1-NZ 3.31Å |
| 15 | C | 95.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | D11 I12 L13 K19 A20 F28 | D11-C15 WeakPolarHBondContact O-CB 3.47Å; D11-C15 PolarHBondContact O-N 3.07Å; I12-C15 WeakPolarHBondContact O-CB 3.5Å; I12-C15 PolarHBondContact O-N 3.21Å; I12-C15 VanDerWaalsContact O-N 3.14Å; L13-C15 VanDerWaalsContact C-N 3.34Å; C15-K19 PolarHBondContact O-N 3.06Å; C15-A20 WeakPolarHBondContact O-CA 3.35Å; C15-A20 PolarHBondContact O-N 3.42Å; C15-F28 HydrophobicContact CB-CE2 3.99Å |
| 16 | V | 94.5 | Very high | 94 | Very high | 27 Ų | 27 | 74.8 Ų | 74.8 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | I12 L13 K18 A20 L25 I43 V44 | I12-V16 HydrophobicContact CG2-CG2 4.5Å; I12-V16 WeakPolarHBondContact O-CG2 3.45Å; I12-V16 PolarHBondContact O-N 2.92Å; L13-V16 PolarHBondContact O-N 3.39Å; V16-K18 VanDerWaalsContact C-N 3.29Å; V16-K18 PolarHBondContact O-N 2.92Å; V16-A20 PolarHBondContact O-N 3.4Å; V16-L25 HydrophobicContact CG2-CD2 4.07Å; V16-I43 HydrophobicContact CB-CG2 4.44Å; V16-I43 HydrophobicContact CG1-CG2 3.68Å; V16-I43 HydrophobicContact CG2-CG2 3.98Å; V16-V44 HydrophobicContact CG2-CG2 4.08Å |
| 17 | N | 93.8 | Very high | 94.6 | Very high | 136 Ų | 136 | 77 Ų | 77 | 73% | 0.727 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.5 | -31.4 | -175.2 | -74.1 | -24.2 | 0 | 0 | 0 | 113.6 | L13 E14 | L13-N17 WeakPolarHBondContact O-CB 3.44Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.92Å; L13-N17 PolarHBondContact O-ND2 3.14Å; E14-N17 PolarHBondContact O-N 2.99Å |
| 18 | K | 90.8 | Very high | 95 | Very high | 146 Ų | 146 | 73.8 Ų | 73.8 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -77.1 | -52.2 | -177.9 | -74.5 | -179.3 | -178.2 | 175.1 | 0 | 112.7 | E14 V16 | E14-K18 HydrophobicContact CG-CD 4.19Å; E14-K18 WeakPolarHBondContact O-CG 3.43Å; E14-K18 PolarHBondContact O-N 3.45Å; E14-K18 VanDerWaalsContact O-N 3.08Å; E14-K18 WeakPolarHBondContact OE1-CE 3.38Å; E14-K18 IonicContact OE1-NZ 2.57Å; E14-K18 PolarHBondContact OE1-NZ 3.31Å; V16-K18 VanDerWaalsContact C-N 3.29Å; V16-K18 PolarHBondContact O-N 2.92Å |
| 19 | K | 88.8 | Confident | 95.1 | Very high | 192 Ų | 192 | 72.8 Ų | 72.8 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.3 | -4.6 | -179 | -66.4 | -167.2 | -180 | 177.9 | 0 | 114.9 | C15 | C15-K19 PolarHBondContact O-N 3.06Š|
| 20 | A | 89.3 | Confident | 95.3 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | trans | 50.9 | 56.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C15 V16 D22 L25 I47 | C15-A20 WeakPolarHBondContact O-CA 3.35Å; C15-A20 PolarHBondContact O-N 3.42Å; V16-A20 PolarHBondContact O-N 3.4Å; A20-D22 PolarHBondContact O-N 3.02Å; A20-L25 HydrophobicContact CB-CD1 4.14Å; A20-I47 HydrophobicContact CB-CD1 4Å; A20-I47 HydrophobicContact CB-CG2 4.34Å | ||
| 21 | D | 92.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 70.4 Ų | 70.4 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | trans | -59 | 108.2 | 178 | -179 | -14.9 | 0 | 0 | 0 | 111.2 | K23 K24 L25 | D21-K23 PolarHBondContact O-N 3.35Å; D21-K23 PolarHBondContact OD1-N 3Å; D21-K24 HydrophobicContact CB-CB 4.14Å; D21-K24 HydrophobicContact CB-CD 4.23Å; D21-K24 HydrophobicContact CB-CG 4.19Å; D21-K24 PolarHBondContact O-N 2.93Å; D21-L25 WeakPolarHBondContact O-CG 3.31Å; D21-L25 PolarHBondContact O-N 3.08Å | ||
| 22 | D | 94.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 72.9 Ų | 72.9 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.5 | -38.6 | -177.6 | 178.1 | 83.9 | 0 | 0 | 0 | 112.3 | A20 L25 R26 R50 | A20-D22 PolarHBondContact O-N 3.02Å; D22-L25 PolarHBondContact O-N 3.12Å; D22-R26 WeakPolarHBondContact O-CB 3.45Å; D22-R26 VanDerWaalsContact O-CG 3.27Å; D22-R26 WeakPolarHBondContact O-CG 3.42Å; D22-R26 PolarHBondContact O-N 3.13Å; D22-R26 IonicContact OD1-CZ 3.55Å; D22-R26 IonicContact OD1-NE 2.68Å; D22-R26 PolarHBondContact OD1-NE 3.09Å; D22-R26 IonicContact OD1-NH2 3.46Å; D22-R26 PolarHBondContact OD1-NH2 2.77Å; D22-R26 VanDerWaalsContact OD1-NH2 3.09Å; D22-R26 IonicContact OD2-CZ 2.75Å; D22-R26 IonicContact OD2-NE 3.96Å; D22-R26 PolarHBondContact OD2-NE 3.48Å; D22-R26 IonicContact OD2-NH2 2.95Å; D22-R50 IonicContact OD2-NH2 3.91Å |
| 23 | K | 95.5 | Very high | 95.2 | Very high | 170 Ų | 170 | 76.8 Ų | 76.8 | 74% | 0.739 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.8 | -42 | 179.8 | -68.3 | -175.1 | 179.1 | -176.8 | 0 | 111.5 | D21 H27 | D21-K23 PolarHBondContact O-N 3.35Å; D21-K23 PolarHBondContact OD1-N 3Å; K23-H27 WeakPolarHBondContact O-CB 3.16Å; K23-H27 PolarHBondContact O-N 3.49Å |
| 24 | K | 96.8 | Very high | 95.3 | Very high | 117 Ų | 117 | 74.1 Ų | 74.1 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 176.9 | -70.9 | -173.3 | -179.9 | -172.8 | 0 | 111.6 | D21 R26 H27 F28 | D21-K24 HydrophobicContact CB-CB 4.14Å; D21-K24 HydrophobicContact CB-CD 4.23Å; D21-K24 HydrophobicContact CB-CG 4.19Å; D21-K24 PolarHBondContact O-N 2.93Å; K24-R26 VanDerWaalsContact C-N 3.35Å; K24-R26 PolarHBondContact O-N 3.07Å; K24-H27 WeakPolarHBondContact O-CB 3.34Å; K24-H27 PolarHBondContact O-N 2.88Å; K24-H27 VanDerWaalsContact O-N 3.16Å; K24-F28 HydrophobicContact CB-CE2 4.29Å; K24-F28 WeakPolarHBondContact O-CD2 3.38Å; K24-F28 WeakPolarHBondContact O-CG 3.05Å; K24-F28 PolarHBondContact O-N 3.16Å |
| 25 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 177 | -67.4 | 177.6 | 0 | 0 | 0 | 111.5 | I12 V16 A20 D21 D22 H27 F28 S29 V44 I47 L48 | I12-L25 HydrophobicContact CG2-CD2 4.14Å; V16-L25 HydrophobicContact CG2-CD2 4.07Å; A20-L25 HydrophobicContact CB-CD1 4.14Å; D21-L25 WeakPolarHBondContact O-CG 3.31Å; D21-L25 PolarHBondContact O-N 3.08Å; D22-L25 PolarHBondContact O-N 3.12Å; L25-H27 VanDerWaalsContact C-N 3.35Å; L25-H27 PolarHBondContact O-N 3.14Å; L25-F28 PolarHBondContact O-N 3.31Å; L25-S29 PolarHBondContact O-N 3.09Å; L25-S29 PolarHBondContact O-OG 3.29Å; L25-V44 HydrophobicContact CB-CG1 4.16Å; L25-V44 HydrophobicContact CD1-CG1 4.37Å; L25-V44 HydrophobicContact CD2-CG1 4.16Å; L25-V44 HydrophobicContact CD2-CG2 4.03Å; L25-V44 HydrophobicContact CG-CG1 4.46Å; L25-I47 HydrophobicContact CD1-CB 4.28Å; L25-I47 HydrophobicContact CD1-CD1 4.23Å; L25-I47 HydrophobicContact CD1-CG2 3.63Å; L25-L48 HydrophobicContact CB-CD2 4.06Å |
| 26 | R | 98 | Very high | 95.4 | Very high | 61 Ų | 61 | 70.7 Ų | 70.7 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 171.9 | -72.7 | 177.8 | -170.7 | -67.8 | -19.8 | 112 | D22 K24 F28 S29 I30 L48 L216 A217 | D22-R26 WeakPolarHBondContact O-CB 3.45Å; D22-R26 VanDerWaalsContact O-CG 3.27Å; D22-R26 WeakPolarHBondContact O-CG 3.42Å; D22-R26 PolarHBondContact O-N 3.13Å; D22-R26 IonicContact OD1-CZ 3.55Å; D22-R26 IonicContact OD1-NE 2.68Å; D22-R26 PolarHBondContact OD1-NE 3.09Å; D22-R26 IonicContact OD1-NH2 3.46Å; D22-R26 PolarHBondContact OD1-NH2 2.77Å; D22-R26 VanDerWaalsContact OD1-NH2 3.09Å; D22-R26 IonicContact OD2-CZ 2.75Å; D22-R26 IonicContact OD2-NE 3.96Å; D22-R26 PolarHBondContact OD2-NE 3.48Å; D22-R26 IonicContact OD2-NH2 2.95Å; K24-R26 VanDerWaalsContact C-N 3.35Å; K24-R26 PolarHBondContact O-N 3.07Å; R26-F28 VanDerWaalsContact C-N 3.33Å; R26-F28 PolarHBondContact O-N 3.31Å; R26-S29 WeakPolarHBondContact O-CB 3.5Å; R26-S29 PolarHBondContact O-N 2.97Å; R26-I30 WeakPolarHBondContact O-CD1 3.46Å; R26-I30 VanDerWaalsContact O-CG1 3.26Å; R26-I30 WeakPolarHBondContact O-CG1 3.27Å; R26-I30 PolarHBondContact O-N 2.88Å; R26-L48 HydrophobicContact CG-CD2 3.62Å; R26-L48 PolarHBondContact NH2-O 3.47Å; R26-L48 VanDerWaalsContact NH2-O 3.12Å; R26-L216 PolarHBondContact NH1-O 3.23Å; R26-A217 HydrophobicContact CB-CB 4.26Å; R26-A217 HydrophobicContact CG-CB 4.25Å; R26-A217 PolarHBondContact NH1-O 3.02Å; R26-A217 VanDerWaalsContact NH1-O 3.07Å |
| 27 | H | 97.7 | Very high | 95.5 | Very high | 125 Ų | 125 | 71.6 Ų | 71.6 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 176.3 | -179.8 | 77.4 | 0 | 0 | 0 | 112.6 | K23 K24 L25 I30 S31 | K23-H27 WeakPolarHBondContact O-CB 3.16Å; K23-H27 PolarHBondContact O-N 3.49Å; K24-H27 WeakPolarHBondContact O-CB 3.34Å; K24-H27 PolarHBondContact O-N 2.88Å; K24-H27 VanDerWaalsContact O-N 3.16Å; L25-H27 VanDerWaalsContact C-N 3.35Å; L25-H27 PolarHBondContact O-N 3.14Å; H27-I30 PolarHBondContact O-N 3.42Å; H27-S31 VanDerWaalsContact O-CB 3.29Å; H27-S31 WeakPolarHBondContact O-CB 3.48Å; H27-S31 PolarHBondContact O-N 3.07Å; H27-S31 PolarHBondContact O-OG 3.47Å |
| 28 | F | 98 | Very high | 95.7 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.7 | -69.4 | -52 | 0 | 0 | 0 | 112.4 | K8 D11 I12 C15 K24 L25 R26 I30 S31 G34 L35 | K8-F28 WeakPolarHBondContact CE-O 3.45Å; K8-F28 PolarHBondContact NZ-O 2.97Å; D11-F28 HydrophobicContact CB-CE1 4.26Å; D11-F28 HydrophobicContact CB-CZ 4.04Å; I12-F28 HydrophobicContact CB-CD2 4.45Å; I12-F28 HydrophobicContact CD1-CB 4.04Å; I12-F28 HydrophobicContact CD1-CG 4.29Å; I12-F28 HydrophobicContact CG1-CB 3.81Å; I12-F28 HydrophobicContact CG1-CD1 4.01Å; I12-F28 HydrophobicContact CG1-CD2 3.66Å; I12-F28 HydrophobicContact CG1-CE1 4.48Å; I12-F28 HydrophobicContact CG1-CE2 4.16Å; I12-F28 HydrophobicContact CG1-CG 3.57Å; C15-F28 HydrophobicContact CB-CE2 3.99Å; K24-F28 HydrophobicContact CB-CE2 4.29Å; K24-F28 WeakPolarHBondContact O-CD2 3.38Å; K24-F28 WeakPolarHBondContact O-CG 3.05Å; K24-F28 PolarHBondContact O-N 3.16Å; L25-F28 PolarHBondContact O-N 3.31Å; R26-F28 VanDerWaalsContact C-N 3.33Å; R26-F28 PolarHBondContact O-N 3.31Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.48Å; F28-S31 WeakPolarHBondContact CA-OG 3.45Å; F28-S31 PolarHBondContact O-OG 2.89Å; F28-S31 VanDerWaalsContact O-OG 3.09Å; F28-G34 CarbonylContact O-C 3.46Å; F28-G34 WeakPolarHBondContact O-CA 3.27Å; F28-L35 HydrophobicContact CB-CD2 4.47Å |
| 29 | S | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 176.3 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | L25 R26 L35 L48 R210 D213 | L25-S29 PolarHBondContact O-N 3.09Å; L25-S29 PolarHBondContact O-OG 3.29Å; R26-S29 WeakPolarHBondContact O-CB 3.5Å; R26-S29 PolarHBondContact O-N 2.97Å; S29-L35 WeakPolarHBondContact OG-CD2 3.45Å; S29-L35 WeakPolarHBondContact OG-CG 3.32Å; S29-L48 WeakPolarHBondContact OG-CD1 3.22Å; S29-R210 PolarHBondContact O-NH1 3.23Å; S29-D213 WeakPolarHBondContact CB-O 3.27Å |
| 30 | I | 98.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.1 | -47.2 | 179.8 | -66.9 | 163.5 | 0 | 0 | 0 | 111 | R26 H27 F28 R210 L214 A217 T218 L269 | R26-I30 WeakPolarHBondContact O-CD1 3.46Å; R26-I30 VanDerWaalsContact O-CG1 3.26Å; R26-I30 WeakPolarHBondContact O-CG1 3.27Å; R26-I30 PolarHBondContact O-N 2.88Å; H27-I30 PolarHBondContact O-N 3.42Å; F28-I30 VanDerWaalsContact C-N 3.31Å; F28-I30 PolarHBondContact O-N 3.48Å; I30-R210 PolarHBondContact O-NH2 3.25Å; I30-L214 HydrophobicContact CG1-CD1 4.21Å; I30-L214 HydrophobicContact CG2-CD1 4.41Å; I30-A217 HydrophobicContact CD1-CB 4.39Å; I30-A217 HydrophobicContact CG1-CB 3.98Å; I30-T218 HydrophobicContact CD1-CG2 3.63Å; I30-T218 HydrophobicContact CG1-CG2 3.65Å; I30-L269 HydrophobicContact CG2-CD1 3.72Å; I30-L269 HydrophobicContact CG2-CD2 3.79Å; I30-L269 HydrophobicContact CG2-CG 4.43Å |
| 31 | S | 96.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -60.5 | 158 | -177 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | K8 H27 F28 Y33 G34 R210 | K8-S31 WeakPolarHBondContact CE-OG 3.25Å; K8-S31 PolarHBondContact NZ-O 2.97Å; K8-S31 PolarHBondContact NZ-OG 2.89Å; H27-S31 VanDerWaalsContact O-CB 3.29Å; H27-S31 WeakPolarHBondContact O-CB 3.48Å; H27-S31 PolarHBondContact O-N 3.07Å; H27-S31 PolarHBondContact O-OG 3.47Å; F28-S31 WeakPolarHBondContact CA-OG 3.45Å; F28-S31 PolarHBondContact O-OG 2.89Å; F28-S31 VanDerWaalsContact O-OG 3.09Å; S31-Y33 PolarHBondContact O-N 3.24Å; S31-G34 PolarHBondContact O-N 3.37Å; S31-R210 PolarHBondContact O-NH2 3.26Å |
| 32 | R | 95.8 | Very high | 97 | Very high | 134 Ų | 134 | 58.2 Ų | 58.2 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.5 | 133.7 | -177.7 | -166.6 | -175.4 | -174.5 | -156.7 | 2.3 | 112.9 | E4 K8 G34 E262 | E4-R32 IonicContact OE1-NH1 3.46Å; E4-R32 IonicContact OE2-CZ 2.94Å; E4-R32 IonicContact OE2-NH1 2.68Å; E4-R32 PolarHBondContact OE2-NH1 2.91Å; K8-R32 PolarHBondContact NZ-O 3.37Å; R32-G34 VanDerWaalsContact C-N 3.25Å; R32-G34 PolarHBondContact O-N 3.39Å; R32-E262 WeakPolarHBondContact CA-OE2 3.44Å |
| 33 | Y | 94.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -1.2 | -174.6 | -49.8 | -63.5 | 0 | 0 | 0 | 116.8 | E4 S31 L35 V36 E262 | E4-Y33 HydrophobicContact CB-CE2 4.22Å; E4-Y33 HydrophobicContact CG-CD2 4.46Å; E4-Y33 HydrophobicContact CG-CE2 4.06Å; S31-Y33 PolarHBondContact O-N 3.24Å; Y33-L35 PolarHBondContact O-N 3.36Å; Y33-V36 PolarHBondContact O-N 3.06Å; Y33-E262 WeakPolarHBondContact CA-OE1 3.31Å; Y33-E262 PolarHBondContact N-OE1 2.62Å; Y33-E262 PolarHBondContact N-OE2 3.32Å |
| 34 | G | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -132.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K8 F28 S31 R32 V36 R210 | K8-G34 WeakPolarHBondContact CE-O 3.5Å; K8-G34 PolarHBondContact NZ-O 3.19Å; F28-G34 CarbonylContact O-C 3.46Å; F28-G34 WeakPolarHBondContact O-CA 3.27Å; S31-G34 PolarHBondContact O-N 3.37Å; R32-G34 VanDerWaalsContact C-N 3.25Å; R32-G34 PolarHBondContact O-N 3.39Å; G34-V36 PolarHBondContact O-N 3.26Å; G34-R210 VanDerWaalsContact CA-CZ 3.48Å; G34-R210 VanDerWaalsContact N-CZ 3.33Å |
| 35 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 13.3 | 179.9 | -64 | 177.5 | 0 | 0 | 0 | 113.9 | I12 F28 S29 Y33 D37 V40 R41 V44 D213 | I12-L35 HydrophobicContact CD1-CD2 4.16Å; F28-L35 HydrophobicContact CB-CD2 4.47Å; S29-L35 WeakPolarHBondContact OG-CD2 3.45Å; S29-L35 WeakPolarHBondContact OG-CG 3.32Å; Y33-L35 PolarHBondContact O-N 3.36Å; L35-D37 PolarHBondContact O-N 3.31Å; L35-V40 HydrophobicContact CB-CG1 4.05Å; L35-V40 HydrophobicContact CD2-CG1 4.24Å; L35-V40 WeakPolarHBondContact O-CB 3.42Å; L35-V40 WeakPolarHBondContact O-CG1 3.41Å; L35-R41 HydrophobicContact CB-CG 3.78Å; L35-R41 HydrophobicContact CD1-CG 4.06Å; L35-V44 HydrophobicContact CD1-CB 3.82Å; L35-V44 HydrophobicContact CD1-CG1 3.72Å; L35-V44 HydrophobicContact CD2-CB 4.18Å; L35-V44 HydrophobicContact CD2-CG1 3.79Å; L35-V44 HydrophobicContact CD2-CG2 4.36Å; L35-V44 HydrophobicContact CG-CG1 4.43Å; L35-D213 HydrophobicContact CD1-CB 4.41Å; L35-D213 WeakPolarHBondContact CD1-OD1 3.4Å; L35-D213 HydrophobicContact CG-CB 4.22Å; L35-D213 PolarHBondContact N-OD2 3.45Å |
| 36 | V | 96.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | trans | 69.3 | -64.7 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 113.5 | K8 K9 I12 Y33 G34 | K8-V36 HydrophobicContact CB-CG2 4Å; K8-V36 HydrophobicContact CD-CG2 4.01Å; K8-V36 HydrophobicContact CG-CG2 4.05Å; K9-V36 HydrophobicContact CB-CG1 4.42Å; K9-V36 HydrophobicContact CB-CG2 4.46Å; I12-V36 HydrophobicContact CD1-CG2 4.38Å; Y33-V36 PolarHBondContact O-N 3.06Å; G34-V36 PolarHBondContact O-N 3.26Å | ||
| 37 | D | 96.3 | Very high | 97 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -151.2 | 175.3 | -175.5 | 61.8 | 43.4 | 0 | 0 | 0 | 113.5 | K9 L35 D39 V40 R41 | K9-D37 VanDerWaalsContact CD-OD2 3.3Å; K9-D37 WeakPolarHBondContact CD-OD2 3.48Å; K9-D37 WeakPolarHBondContact CE-OD2 3.41Å; K9-D37 IonicContact NZ-OD1 3.45Å; K9-D37 PolarHBondContact NZ-OD1 3.45Å; K9-D37 IonicContact NZ-OD2 3.61Å; K9-D37 PolarHBondContact NZ-OD2 3.2Å; L35-D37 PolarHBondContact O-N 3.31Å; D37-D39 VanDerWaalsContact C-N 3.32Å; D37-D39 PolarHBondContact O-N 3.49Å; D37-D39 WeakPolarHBondContact OD1-CB 3.26Å; D37-D39 PolarHBondContact OD1-N 2.89Å; D37-V40 PolarHBondContact O-N 2.79Å; D37-V40 PolarHBondContact OD1-N 2.82Å; D37-R41 WeakPolarHBondContact O-CG 3.19Å; D37-R41 PolarHBondContact O-N 3.22Å |
| 38 | D | 97.2 | Very high | 96.9 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.1 | -24.7 | -171.4 | -63.9 | -13.7 | 0 | 0 | 0 | 113.4 | V40 R41 K42 V129 R209 | D38-V40 VanDerWaalsContact C-N 3.27Å; D38-V40 PolarHBondContact O-N 3.45Å; D38-R41 PolarHBondContact O-N 3.48Å; D38-R41 IonicContact OD1-CZ 3.18Å; D38-R41 IonicContact OD1-NH1 4Å; D38-R41 PolarHBondContact OD1-NH1 3.45Å; D38-K42 VanDerWaalsContact O-CB 3.25Å; D38-K42 WeakPolarHBondContact O-CB 3.45Å; D38-K42 PolarHBondContact O-N 2.99Å; D38-V129 HydrophobicContact CB-CG1 4.42Å; D38-R209 VanDerWaalsContact OD1-CD 3.26Å; D38-R209 WeakPolarHBondContact OD1-CD 3.39Å; D38-R209 IonicContact OD1-CZ 2.72Å; D38-R209 IonicContact OD1-NE 3.39Å; D38-R209 IonicContact OD1-NH1 2.92Å; D38-R209 IonicContact OD2-CZ 3.21Å; D38-R209 IonicContact OD2-NE 3.64Å; D38-R209 IonicContact OD2-NH1 3.78Å; D38-R209 PolarHBondContact OD2-NH1 3.28Å; D38-R209 IonicContact OD2-NH2 2.75Å; D38-R209 PolarHBondContact OD2-NH2 3.48Å |
| 39 | D | 96.5 | Very high | 96.8 | Very high | 111 Ų | 111 | 39.9 Ų | 39.9 | 59% | 0.594 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -61.6 | -42.1 | 174 | -62 | -33.3 | 0 | 0 | 0 | 110.3 | K9 D37 | K9-D39 IonicContact NZ-OD2 2.84Å; K9-D39 PolarHBondContact NZ-OD2 3.3Å; D37-D39 VanDerWaalsContact C-N 3.32Å; D37-D39 PolarHBondContact O-N 3.49Å; D37-D39 WeakPolarHBondContact OD1-CB 3.26Å; D37-D39 PolarHBondContact OD1-N 2.89Å |
| 40 | V | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.7 | -43.9 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | K9 I12 L35 D37 D38 K42 I43 V44 | K9-V40 HydrophobicContact CD-CG2 3.97Å; K9-V40 HydrophobicContact CG-CG2 3.74Å; I12-V40 HydrophobicContact CB-CG1 4.23Å; I12-V40 HydrophobicContact CD1-CG1 4.1Å; I12-V40 HydrophobicContact CG2-CG1 3.49Å; I12-V40 VanDerWaalsContact CG2-CG1 3.49Å; L35-V40 HydrophobicContact CB-CG1 4.05Å; L35-V40 HydrophobicContact CD2-CG1 4.24Å; L35-V40 WeakPolarHBondContact O-CB 3.42Å; L35-V40 WeakPolarHBondContact O-CG1 3.41Å; D37-V40 PolarHBondContact O-N 2.79Å; D37-V40 PolarHBondContact OD1-N 2.82Å; D38-V40 VanDerWaalsContact C-N 3.27Å; D38-V40 PolarHBondContact O-N 3.45Å; V40-K42 VanDerWaalsContact C-N 3.29Å; V40-K42 PolarHBondContact O-N 3.21Å; V40-I43 PolarHBondContact O-N 2.72Å; V40-V44 HydrophobicContact CG1-CG2 3.9Å; V40-V44 WeakPolarHBondContact O-CG2 3.48Å; V40-V44 PolarHBondContact O-N 2.81Å |
| 41 | R | 98.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 178.7 | -68.3 | 176.8 | -178.9 | 105.8 | 12.5 | 112.4 | L35 D37 D38 I43 V44 W45 V129 D213 | L35-R41 HydrophobicContact CB-CG 3.78Å; L35-R41 HydrophobicContact CD1-CG 4.06Å; D37-R41 WeakPolarHBondContact O-CG 3.19Å; D37-R41 PolarHBondContact O-N 3.22Å; D38-R41 PolarHBondContact O-N 3.48Å; D38-R41 IonicContact OD1-CZ 3.18Å; D38-R41 IonicContact OD1-NH1 4Å; D38-R41 PolarHBondContact OD1-NH1 3.45Å; R41-I43 PolarHBondContact O-N 2.75Å; R41-I43 VanDerWaalsContact O-N 3.14Å; R41-V44 PolarHBondContact O-N 3.33Å; R41-W45 HydrophobicContact CB-CD2 4.14Å; R41-W45 HydrophobicContact CB-CG 4.26Å; R41-W45 HydrophobicContact CB-CZ2 4.44Å; R41-W45 HydrophobicContact CG-CZ2 4.26Å; R41-W45 WeakPolarHBondContact O-CB 3.4Å; R41-W45 PolarHBondContact O-N 3.46Å; R41-V129 HydrophobicContact CB-CG1 3.6Å; R41-D213 WeakPolarHBondContact CD-OD1 3.28Å; R41-D213 WeakPolarHBondContact CG-OD1 3.35Å; R41-D213 IonicContact CZ-OD1 3.85Å; R41-D213 IonicContact CZ-OD2 2.77Å; R41-D213 IonicContact NE-OD1 3.64Å; R41-D213 PolarHBondContact NE-OD1 3.45Å; R41-D213 IonicContact NE-OD2 2.8Å; R41-D213 PolarHBondContact NE-OD2 3.45Å; R41-D213 IonicContact NH2-OD2 3.84Å; R41-D213 PolarHBondContact NH2-OD2 2.93Å |
| 42 | K | 97.1 | Very high | 93.7 | Very high | 128 Ų | 128 | 51 Ų | 51 | 56% | 0.557 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -56.7 | -30 | 176.9 | -173.7 | 174.1 | -178.4 | 176.5 | 0 | 113 | D38 V40 P46 L130 | D38-K42 VanDerWaalsContact O-CB 3.25Å; D38-K42 WeakPolarHBondContact O-CB 3.45Å; D38-K42 PolarHBondContact O-N 2.99Å; V40-K42 VanDerWaalsContact C-N 3.29Å; V40-K42 PolarHBondContact O-N 3.21Å; K42-P46 WeakPolarHBondContact O-CD 3.29Å; K42-L130 HydrophobicContact CG-CD2 4.45Å |
| 43 | I | 95.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 36% | 0.359 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -88.6 | -46.6 | 177.2 | -61 | 168.9 | 0 | 0 | 0 | 110.9 | L13 V16 V40 R41 I47 | L13-I43 HydrophobicContact CD2-CD1 3.99Å; V16-I43 HydrophobicContact CB-CG2 4.44Å; V16-I43 HydrophobicContact CG1-CG2 3.68Å; V16-I43 HydrophobicContact CG2-CG2 3.98Å; V40-I43 PolarHBondContact O-N 2.72Å; R41-I43 PolarHBondContact O-N 2.75Å; R41-I43 VanDerWaalsContact O-N 3.14Å; I43-I47 HydrophobicContact CG2-CD1 4.17Å; I43-I47 VanDerWaalsContact O-CD1 3.31Å; I43-I47 WeakPolarHBondContact O-CD1 3.46Å; I43-I47 WeakPolarHBondContact O-CG1 3.12Å |
| 44 | V | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -85.7 | -36.7 | -166.3 | 177.4 | 0 | 0 | 0 | 0 | 113.2 | I12 V16 L25 L35 V40 R41 I47 L48 | I12-V44 HydrophobicContact CG2-CG2 3.87Å; V16-V44 HydrophobicContact CG2-CG2 4.08Å; L25-V44 HydrophobicContact CB-CG1 4.16Å; L25-V44 HydrophobicContact CD1-CG1 4.37Å; L25-V44 HydrophobicContact CD2-CG1 4.16Å; L25-V44 HydrophobicContact CD2-CG2 4.03Å; L25-V44 HydrophobicContact CG-CG1 4.46Å; L35-V44 HydrophobicContact CD1-CB 3.82Å; L35-V44 HydrophobicContact CD1-CG1 3.72Å; L35-V44 HydrophobicContact CD2-CB 4.18Å; L35-V44 HydrophobicContact CD2-CG1 3.79Å; L35-V44 HydrophobicContact CD2-CG2 4.36Å; L35-V44 HydrophobicContact CG-CG1 4.43Å; V40-V44 HydrophobicContact CG1-CG2 3.9Å; V40-V44 WeakPolarHBondContact O-CG2 3.48Å; V40-V44 PolarHBondContact O-N 2.81Å; R41-V44 PolarHBondContact O-N 3.33Å; V44-I47 WeakPolarHBondContact O-CB 3.41Å; V44-I47 PolarHBondContact O-N 3.11Å; V44-I47 VanDerWaalsContact O-N 3.09Å; V44-L48 HydrophobicContact CG1-CD1 3.92Å; V44-L48 HydrophobicContact CG1-CG 3.93Å; V44-L48 WeakPolarHBondContact O-CG 3.47Å; V44-L48 PolarHBondContact O-N 3.09Å |
| 45 | W | 97.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 178.2 | -74.7 | 6 | 0 | 0 | 0 | 112 | R41 I47 L48 V49 V125 F126 V129 L130 L138 R209 F212 D213 L216 | R41-W45 HydrophobicContact CB-CD2 4.14Å; R41-W45 HydrophobicContact CB-CG 4.26Å; R41-W45 HydrophobicContact CB-CZ2 4.44Å; R41-W45 HydrophobicContact CG-CZ2 4.26Å; R41-W45 WeakPolarHBondContact O-CB 3.4Å; R41-W45 PolarHBondContact O-N 3.46Å; W45-I47 VanDerWaalsContact C-N 3.28Å; W45-I47 PolarHBondContact O-N 3.23Å; W45-L48 PolarHBondContact O-N 2.86Å; W45-V49 WeakPolarHBondContact O-CG2 3.49Å; W45-V49 PolarHBondContact O-N 3.14Å; W45-V49 VanDerWaalsContact O-N 3.08Å; W45-V125 HydrophobicContact CH2-CG1 3.99Å; W45-F126 AromaticContact CE3-CD1 3.91Å; W45-F126 HydrophobicContact CE3-CD1 3.91Å; W45-F126 HydrophobicContact CE3-CE1 4Å; W45-F126 AromaticContact CZ3-CD1 3.96Å; W45-F126 HydrophobicContact CZ3-CD1 3.96Å; W45-F126 HydrophobicContact CZ3-CE1 4.24Å; W45-V129 HydrophobicContact CE3-CB 4.3Å; W45-V129 HydrophobicContact CE3-CG1 4.14Å; W45-V129 HydrophobicContact CH2-CB 4.38Å; W45-V129 HydrophobicContact CH2-CG2 3.85Å; W45-V129 HydrophobicContact CZ3-CB 3.85Å; W45-V129 HydrophobicContact CZ3-CG1 4.11Å; W45-V129 HydrophobicContact CZ3-CG2 3.82Å; W45-L130 HydrophobicContact CE3-CD1 4.27Å; W45-L130 HydrophobicContact CE3-CD2 4.43Å; W45-L130 HydrophobicContact CE3-CG 4.27Å; W45-L138 HydrophobicContact CB-CD2 4.1Å; W45-R209 HydrophobicContact CH2-CG 4.49Å; W45-F212 HydrophobicContact CH2-CB 3.97Å; W45-F212 HydrophobicContact CH2-CD1 4.18Å; W45-F212 HydrophobicContact CH2-CG 4.42Å; W45-F212 HydrophobicContact CZ2-CB 3.62Å; W45-D213 PolarHBondContact NE1-OD1 2.88Å; W45-L216 HydrophobicContact CB-CD1 4.1Å; W45-L216 HydrophobicContact CD2-CD1 3.69Å; W45-L216 HydrophobicContact CE3-CD1 4.35Å; W45-L216 HydrophobicContact CG-CD1 3.57Å |
| 46 | P | 95.7 | Very high | 90.7 | Very high | 23 Ų | 23 | 64.2 Ų | 64.2 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.9 | -37.7 | 175.3 | -26.7 | 36 | 0 | 0 | 0 | 114.2 | K42 R50 G51 L130 L138 | K42-P46 WeakPolarHBondContact O-CD 3.29Å; P46-R50 WeakPolarHBondContact O-CA 3.3Å; P46-R50 PolarHBondContact O-N 3.37Å; P46-G51 PolarHBondContact O-N 3.35Å; P46-L130 HydrophobicContact CG-CD2 4.23Å; P46-L138 HydrophobicContact CB-CD1 4.08Å; P46-L138 HydrophobicContact CB-CD2 4.43Å; P46-L138 HydrophobicContact CG-CD1 4.27Å; P46-L138 HydrophobicContact CG-CD2 4.16Å |
| 47 | I | 94.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 178.9 | -62.3 | 167.6 | 0 | 0 | 0 | 110.5 | A20 L25 I43 V44 W45 V49 R50 | A20-I47 HydrophobicContact CB-CD1 4Å; A20-I47 HydrophobicContact CB-CG2 4.34Å; L25-I47 HydrophobicContact CD1-CB 4.28Å; L25-I47 HydrophobicContact CD1-CD1 4.23Å; L25-I47 HydrophobicContact CD1-CG2 3.63Å; I43-I47 HydrophobicContact CG2-CD1 4.17Å; I43-I47 VanDerWaalsContact O-CD1 3.31Å; I43-I47 WeakPolarHBondContact O-CD1 3.46Å; I43-I47 WeakPolarHBondContact O-CG1 3.12Å; V44-I47 WeakPolarHBondContact O-CB 3.41Å; V44-I47 PolarHBondContact O-N 3.11Å; V44-I47 VanDerWaalsContact O-N 3.09Å; W45-I47 VanDerWaalsContact C-N 3.28Å; W45-I47 PolarHBondContact O-N 3.23Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 PolarHBondContact O-N 3.29Å; I47-R50 PolarHBondContact O-N 2.88Å |
| 48 | L | 96.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 179.8 | -68.7 | 177 | 0 | 0 | 0 | 112.4 | L25 R26 S29 V44 W45 R50 L216 A217 | L25-L48 HydrophobicContact CB-CD2 4.06Å; R26-L48 HydrophobicContact CG-CD2 3.62Å; R26-L48 PolarHBondContact NH2-O 3.47Å; R26-L48 VanDerWaalsContact NH2-O 3.12Å; S29-L48 WeakPolarHBondContact OG-CD1 3.22Å; V44-L48 HydrophobicContact CG1-CD1 3.92Å; V44-L48 HydrophobicContact CG1-CG 3.93Å; V44-L48 WeakPolarHBondContact O-CG 3.47Å; V44-L48 PolarHBondContact O-N 3.09Å; W45-L48 PolarHBondContact O-N 2.86Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-L216 HydrophobicContact CD1-CB 4.34Å; L48-A217 HydrophobicContact CD1-CB 4.49Å |
| 49 | V | 95.5 | Very high | 89.5 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -79.5 | -20.2 | -179.1 | 178.2 | 0 | 0 | 0 | 0 | 112 | W45 I47 G51 L138 K141 L142 L216 | W45-V49 WeakPolarHBondContact O-CG2 3.49Å; W45-V49 PolarHBondContact O-N 3.14Å; W45-V49 VanDerWaalsContact O-N 3.08Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 PolarHBondContact O-N 3.29Å; V49-G51 VanDerWaalsContact C-N 3.26Å; V49-G51 PolarHBondContact O-N 3.2Å; V49-L138 HydrophobicContact CB-CD2 4.26Å; V49-L138 HydrophobicContact CB-CG 4.02Å; V49-L138 HydrophobicContact CG1-CB 4.38Å; V49-L138 HydrophobicContact CG1-CG 3.97Å; V49-L138 HydrophobicContact CG2-CD2 4.11Å; V49-L138 HydrophobicContact CG2-CG 4.29Å; V49-K141 HydrophobicContact CG1-CB 3.77Å; V49-K141 HydrophobicContact CG1-CG 3.55Å; V49-K141 WeakPolarHBondContact O-CE 3.47Å; V49-K141 VanDerWaalsContact O-CG 3.27Å; V49-K141 WeakPolarHBondContact O-CG 3.3Å; V49-L142 HydrophobicContact CG1-CD1 4.47Å; V49-L142 HydrophobicContact CG1-CD2 4.08Å; V49-L142 HydrophobicContact CG1-CG 3.85Å; V49-L142 HydrophobicContact CG2-CD1 4.21Å; V49-L142 HydrophobicContact CG2-CD2 4.02Å; V49-L142 HydrophobicContact CG2-CG 4.22Å; V49-L216 HydrophobicContact CG2-CD2 3.82Å |
| 50 | R | 88.6 | Confident | 89.2 | Confident | 167 Ų | 167 | 69 Ų | 69 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 40 | -172.8 | -50.7 | 179.3 | -176.9 | 179.2 | 2.1 | 111.8 | D22 P46 I47 L48 N52 | D22-R50 IonicContact OD2-NH2 3.91Å; P46-R50 WeakPolarHBondContact O-CA 3.3Å; P46-R50 PolarHBondContact O-N 3.37Å; I47-R50 PolarHBondContact O-N 2.88Å; L48-R50 VanDerWaalsContact C-N 3.34Å; R50-N52 PolarHBondContact O-N 2.84Å |
| 51 | G | 73.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 73 Ų | 73 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | trans | -81.9 | 92.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P46 V49 M137 | P46-G51 PolarHBondContact O-N 3.35Å; V49-G51 VanDerWaalsContact C-N 3.26Å; V49-G51 PolarHBondContact O-N 3.2Å; G51-M137 VanDerWaalsContact C-SD 3.51Å; G51-M137 WeakPolarHBondContact O-CE 3.38Å | ||
| 52 | N | 67 | Low | 88.4 | Confident | 142 Ų | 142 | 77.5 Ų | 77.5 | 76% | 0.759 | 38% | 0.382 | S | S | * | . | trans | -123.1 | 5.1 | -179.5 | -66.5 | 11 | 0 | 0 | 0 | 113.4 | R50 | R50-N52 PolarHBondContact O-N 2.84Š| ||
| 53 | R | 71.1 | Confident | 88.2 | Confident | 204 Ų | 204 | 71.8 Ų | 71.8 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | trans | -96.6 | 108 | 178.5 | -86.5 | -169.2 | -91.9 | -170.5 | -5.8 | 109.7 | L55 M137 | R53-L55 PolarHBondContact O-N 3.27Å; R53-M137 VanDerWaalsContact O-CG 3.31Å; R53-M137 WeakPolarHBondContact O-CG 3.32Å; R53-M137 VanDerWaalsContact O-SD 3.32Å | ||
| 54 | E | 78.1 | Confident | 88 | Confident | 144 Ų | 144 | 74 Ų | 74 | 67% | 0.673 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 128.5 | 166.9 | -170.5 | 169 | -163.5 | 0 | 0 | 109.3 | K133 | E54-K133 VanDerWaalsContact OE1-CE 3.31Å; E54-K133 WeakPolarHBondContact OE1-CE 3.15Å; E54-K133 IonicContact OE1-NZ 2.65Å; E54-K133 PolarHBondContact OE1-NZ 3.34Å |
| 55 | L | 85.5 | Confident | 87.9 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 25% | 0.251 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 141.8 | 177.1 | -67.5 | 170.5 | 0 | 0 | 0 | 108.7 | R53 R136 N140 | R53-L55 PolarHBondContact O-N 3.27Å; L55-R136 HydrophobicContact CD1-CG 3.89Å; L55-N140 HydrophobicContact CD1-CB 4.12Å; L55-N140 WeakPolarHBondContact CD1-ND2 3.32Å |
| 56 | P | 87.7 | Confident | 87.9 | Confident | 98 Ų | 98 | 82.6 Ų | 82.6 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 149 | 175.6 | 28.1 | -34.4 | 0 | 0 | 0 | 110.2 | I58 R136 | P56-I58 PolarHBondContact O-N 3.1Å; P56-R136 PolarHBondContact O-NH1 2.94Å; P56-R136 PolarHBondContact O-NH2 2.88Å; P56-R136 VanDerWaalsContact O-NH2 3.09Å |
| 57 | D | 88.3 | Confident | 87.9 | Confident | 152 Ų | 152 | 87.4 Ų | 87.4 | 81% | 0.813 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 138.6 | 170.1 | -66.8 | -34.2 | 0 | 0 | 0 | 109.8 | ||
| 58 | I | 87.7 | Confident | 88 | Confident | 30 Ų | 30 | 86.5 Ų | 86.5 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 138.2 | 176.9 | -70.1 | 168.1 | 0 | 0 | 0 | 108.4 | P56 P60 M62 V63 S105 V108 | P56-I58 PolarHBondContact O-N 3.1Å; I58-P60 WeakPolarHBondContact O-CD 3.42Å; I58-M62 HydrophobicContact CG2-CB 4.19Å; I58-V63 HydrophobicContact CB-CG2 4.48Å; I58-V63 HydrophobicContact CG2-CG2 3.69Å; I58-S105 VanDerWaalsContact CD1-CA 3.46Å; I58-S105 WeakPolarHBondContact CD1-O 3.43Å; I58-V108 HydrophobicContact CD1-CB 4.06Å; I58-V108 HydrophobicContact CD1-CG1 3.97Å; I58-V108 HydrophobicContact CG1-CG1 4.38Å; I58-V108 HydrophobicContact CG2-CG1 4.13Å |
| 59 | D | 88.9 | Confident | 88.1 | Confident | 85 Ų | 85 | 89.1 Ų | 89.1 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 119.3 | 169.6 | 178.9 | 1.6 | 0 | 0 | 0 | 110.4 | E61 M62 V63 | D59-E61 PolarHBondContact O-N 3.03Å; D59-E61 PolarHBondContact OD1-N 3.27Å; D59-M62 HydrophobicContact CB-CB 4.29Å; D59-M62 HydrophobicContact CB-CG 3.93Å; D59-M62 HydrophobicContact CB-SD 4.17Å; D59-M62 WeakPolarHBondContact O-CB 3.36Å; D59-M62 PolarHBondContact O-N 2.88Å; D59-V63 PolarHBondContact O-N 2.76Å |
| 60 | P | 89.8 | Confident | 88.2 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -52.4 | -28.1 | 175.8 | -27.3 | 35.8 | 0 | 0 | 0 | 114 | I58 V63 K64 | I58-P60 WeakPolarHBondContact O-CD 3.42Å; P60-V63 WeakPolarHBondContact O-CB 3.47Å; P60-V63 PolarHBondContact O-N 2.72Å; P60-K64 WeakPolarHBondContact O-CG 3.4Å; P60-K64 PolarHBondContact O-N 3.03Å; P60-K64 VanDerWaalsContact O-N 3.13Å |
| 61 | E | 90.5 | Very high | 88.6 | Confident | 82 Ų | 82 | 92 Ų | 92 | 38% | 0.383 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.2 | -35.7 | 177.3 | -65.5 | -55.4 | 121 | 0 | 0 | 112.3 | D59 V63 K64 H65 | D59-E61 PolarHBondContact O-N 3.03Å; D59-E61 PolarHBondContact OD1-N 3.27Å; E61-V63 PolarHBondContact O-N 3.08Å; E61-K64 PolarHBondContact O-N 3.08Å; E61-K64 IonicContact OE1-NZ 3.5Å; E61-K64 PolarHBondContact OE1-NZ 3.17Å; E61-H65 PolarHBondContact O-N 2.59Å; E61-H65 VanDerWaalsContact O-N 3.09Å; E61-H65 PolarHBondContact O-ND1 3.37Å; E61-H65 IonicContact OE2-CE1 2.76Å; E61-H65 PolarHBondContact OE2-CE1 2.93Å; E61-H65 IonicContact OE2-ND1 2.86Å |
| 62 | M | 90.3 | Very high | 89.8 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 51% | 0.507 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 171.1 | -71.2 | -178 | 67.6 | 0 | 0 | 111.5 | I58 D59 H66 V108 | I58-M62 HydrophobicContact CG2-CB 4.19Å; D59-M62 HydrophobicContact CB-CB 4.29Å; D59-M62 HydrophobicContact CB-CG 3.93Å; D59-M62 HydrophobicContact CB-SD 4.17Å; D59-M62 WeakPolarHBondContact O-CB 3.36Å; D59-M62 PolarHBondContact O-N 2.88Å; M62-H66 PolarHBondContact O-N 3.22Å; M62-V108 HydrophobicContact CE-CG1 3.73Å |
| 63 | V | 92.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 87.7 Ų | 87.7 | 5% | 0.048 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62 | -53.5 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | I58 D59 P60 E61 H65 H66 Y69 R101 I104 | I58-V63 HydrophobicContact CB-CG2 4.48Å; I58-V63 HydrophobicContact CG2-CG2 3.69Å; D59-V63 PolarHBondContact O-N 2.76Å; P60-V63 WeakPolarHBondContact O-CB 3.47Å; P60-V63 PolarHBondContact O-N 2.72Å; E61-V63 PolarHBondContact O-N 3.08Å; V63-H65 VanDerWaalsContact C-N 3.3Å; V63-H65 PolarHBondContact O-N 3.14Å; V63-H66 WeakPolarHBondContact O-CB 3.36Å; V63-H66 PolarHBondContact O-N 3.49Å; V63-Y69 HydrophobicContact CG1-CD2 4.23Å; V63-Y69 HydrophobicContact CG1-CE2 4.07Å; V63-Y69 VanDerWaalsContact O-CD2 3.22Å; V63-Y69 WeakPolarHBondContact O-CD2 3.44Å; V63-R101 HydrophobicContact CG1-CG 4.35Å; V63-I104 HydrophobicContact CB-CG2 4.07Å; V63-I104 HydrophobicContact CG1-CB 3.92Å; V63-I104 HydrophobicContact CG1-CG2 3.69Å; V63-I104 HydrophobicContact CG2-CG2 4.35Å; V63-I104 WeakPolarHBondContact O-CG2 3.38Å |
| 64 | K | 91.8 | Very high | 92.6 | Very high | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -32.9 | -176.3 | -69.6 | 175.6 | -167.6 | 161.2 | 0 | 113.9 | P60 E61 | P60-K64 WeakPolarHBondContact O-CG 3.4Å; P60-K64 PolarHBondContact O-N 3.03Å; P60-K64 VanDerWaalsContact O-N 3.13Å; E61-K64 PolarHBondContact O-N 3.08Å; E61-K64 IonicContact OE1-NZ 3.5Å; E61-K64 PolarHBondContact OE1-NZ 3.17Å |
| 65 | H | 95.1 | Very high | 93.5 | Very high | 142 Ų | 142 | 74.1 Ų | 74.1 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.9 | -177.7 | -66.8 | 93.4 | 0 | 0 | 0 | 113.9 | E61 V63 | E61-H65 PolarHBondContact O-N 2.59Å; E61-H65 VanDerWaalsContact O-N 3.09Å; E61-H65 PolarHBondContact O-ND1 3.37Å; E61-H65 IonicContact OE2-CE1 2.76Å; E61-H65 PolarHBondContact OE2-CE1 2.93Å; E61-H65 IonicContact OE2-ND1 2.86Å; V63-H65 VanDerWaalsContact C-N 3.3Å; V63-H65 PolarHBondContact O-N 3.14Å |
| 66 | H | 97 | Very high | 94.1 | Very high | 39 Ų | 39 | 71.9 Ų | 71.9 | 18% | 0.181 | 37% | 0.366 | C | S | . | . | trans | -62.8 | 133.9 | 179.3 | -171.3 | -88.8 | 0 | 0 | 0 | 111 | M62 V63 S68 Y69 I104 | M62-H66 PolarHBondContact O-N 3.22Å; V63-H66 WeakPolarHBondContact O-CB 3.36Å; V63-H66 PolarHBondContact O-N 3.49Å; H66-S68 PolarHBondContact CE1-OG 2.96Å; H66-S68 PolarHBondContact ND1-N 3.4Å; H66-S68 VanDerWaalsContact ND1-N 3.17Å; H66-S68 PolarHBondContact O-N 3.13Å; H66-Y69 WeakPolarHBondContact O-CB 3.32Å; H66-Y69 PolarHBondContact O-N 3.33Å; H66-I104 HydrophobicContact CB-CD1 4.31Å; H66-I104 HydrophobicContact CB-CG2 3.61Å | ||
| 67 | P | 96.5 | Very high | 94.5 | Very high | 125 Ų | 125 | 70.2 Ų | 70.2 | 81% | 0.812 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.4 | -175.6 | -28.6 | 35.4 | 0 | 0 | 0 | 114.9 | ||
| 68 | S | 97.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.2 | 178.4 | -49 | 0 | 0 | 0 | 0 | 114.4 | H66 R70 Q71 V72 | H66-S68 PolarHBondContact CE1-OG 2.96Å; H66-S68 PolarHBondContact ND1-N 3.4Å; H66-S68 VanDerWaalsContact ND1-N 3.17Å; H66-S68 PolarHBondContact O-N 3.13Å; S68-R70 PolarHBondContact O-N 2.82Å; S68-Q71 PolarHBondContact O-N 3.43Å; S68-Q71 VanDerWaalsContact O-N 3.11Å; S68-V72 WeakPolarHBondContact O-CG2 3.17Å; S68-V72 PolarHBondContact O-N 2.92Å |
| 69 | Y | 97.9 | Very high | 95.1 | Very high | 61 Ų | 61 | 66 Ų | 66 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -51.3 | -52 | -172.1 | -176.1 | -84.2 | 0 | 0 | 0 | 112.4 | V63 H66 Q71 V72 E73 T100 I104 | V63-Y69 HydrophobicContact CG1-CD2 4.23Å; V63-Y69 HydrophobicContact CG1-CE2 4.07Å; V63-Y69 VanDerWaalsContact O-CD2 3.22Å; V63-Y69 WeakPolarHBondContact O-CD2 3.44Å; H66-Y69 WeakPolarHBondContact O-CB 3.32Å; H66-Y69 PolarHBondContact O-N 3.33Å; Y69-Q71 VanDerWaalsContact C-N 3.32Å; Y69-Q71 PolarHBondContact O-N 3.36Å; Y69-V72 PolarHBondContact O-N 3.18Å; Y69-E73 HydrophobicContact CE1-CB 4.44Å; Y69-E73 WeakPolarHBondContact O-CB 3.22Å; Y69-E73 PolarHBondContact O-N 3.05Å; Y69-T100 HydrophobicContact CD2-CG2 4.36Å; Y69-T100 HydrophobicContact CE2-CG2 3.88Å; Y69-I104 HydrophobicContact CD2-CG1 4.04Å |
| 70 | R | 97.3 | Very high | 95.3 | Very high | 157 Ų | 157 | 65.3 Ų | 65.3 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62 | -39 | -177.8 | -177.7 | 56 | 177 | -175.2 | -2.2 | 113 | S68 E73 L74 | S68-R70 PolarHBondContact O-N 2.82Å; R70-E73 IonicContact CZ-OE2 3.68Å; R70-E73 IonicContact NH1-OE2 3Å; R70-E73 PolarHBondContact NH1-OE2 2.87Å; R70-L74 HydrophobicContact CG-CD1 4.5Å; R70-L74 VanDerWaalsContact O-CG 3.31Å; R70-L74 WeakPolarHBondContact O-CG 3.42Å; R70-L74 PolarHBondContact O-N 3.35Å; R70-L74 VanDerWaalsContact O-N 3.15Å |
| 71 | Q | 97.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 178.5 | -179.4 | 60.6 | 49 | 0 | 0 | 111 | S68 Y69 L74 D75 Y115 | S68-Q71 PolarHBondContact O-N 3.43Å; S68-Q71 VanDerWaalsContact O-N 3.11Å; Y69-Q71 VanDerWaalsContact C-N 3.32Å; Y69-Q71 PolarHBondContact O-N 3.36Å; Q71-L74 PolarHBondContact O-N 3.42Å; Q71-D75 PolarHBondContact NE2-OD1 2.82Å; Q71-D75 PolarHBondContact NE2-OD2 2.97Å; Q71-D75 VanDerWaalsContact NE2-OD2 3.15Å; Q71-D75 WeakPolarHBondContact O-CB 3.22Å; Q71-D75 PolarHBondContact O-N 3.39Å; Q71-Y115 HydrophobicContact CG-CD1 4.16Å; Q71-Y115 HydrophobicContact CG-CE1 3.86Å |
| 72 | V | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | S68 Y69 L74 D75 T76 T100 V103 I104 Y115 | S68-V72 WeakPolarHBondContact O-CG2 3.17Å; S68-V72 PolarHBondContact O-N 2.92Å; Y69-V72 PolarHBondContact O-N 3.18Å; V72-L74 PolarHBondContact O-N 3.29Å; V72-D75 PolarHBondContact O-N 2.96Å; V72-T76 HydrophobicContact CG1-CG2 4.22Å; V72-T76 WeakPolarHBondContact O-CG2 3.47Å; V72-T76 PolarHBondContact O-N 3.01Å; V72-T76 PolarHBondContact O-OG1 3.36Å; V72-T76 VanDerWaalsContact O-OG1 3.13Å; V72-T100 HydrophobicContact CG1-CG2 4.1Å; V72-V103 HydrophobicContact CB-CG1 4.35Å; V72-V103 HydrophobicContact CG1-CB 3.71Å; V72-V103 HydrophobicContact CG1-CG1 3.62Å; V72-V103 HydrophobicContact CG1-CG2 4.24Å; V72-V103 HydrophobicContact CG2-CG1 3.69Å; V72-I104 HydrophobicContact CB-CD1 4.08Å; V72-I104 HydrophobicContact CB-CG1 4.4Å; V72-I104 HydrophobicContact CG1-CD1 4.46Å; V72-I104 HydrophobicContact CG1-CG1 4.3Å; V72-I104 HydrophobicContact CG2-CD1 3.8Å; V72-I104 HydrophobicContact CG2-CG1 4.49Å; V72-Y115 HydrophobicContact CG2-CD1 4.05Å; V72-Y115 HydrophobicContact CG2-CD2 3.72Å; V72-Y115 HydrophobicContact CG2-CE1 4.02Å; V72-Y115 HydrophobicContact CG2-CE2 3.7Å; V72-Y115 HydrophobicContact CG2-CG 3.9Å |
| 73 | E | 97.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 58 Ų | 58 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 175.2 | -178.1 | -177.4 | -110.1 | 0 | 0 | 111 | Y69 R70 D75 T76 C77 T100 | Y69-E73 HydrophobicContact CE1-CB 4.44Å; Y69-E73 WeakPolarHBondContact O-CB 3.22Å; Y69-E73 PolarHBondContact O-N 3.05Å; R70-E73 IonicContact CZ-OE2 3.68Å; R70-E73 IonicContact NH1-OE2 3Å; R70-E73 PolarHBondContact NH1-OE2 2.87Å; E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.4Å; E73-T76 PolarHBondContact O-N 3.44Å; E73-T76 PolarHBondContact O-OG1 3.01Å; E73-C77 PolarHBondContact O-N 2.82Å; E73-C77 PolarHBondContact O-SG 2.9Å; E73-T100 HydrophobicContact CB-CG2 4.38Å |
| 74 | L | 98 | Very high | 95.9 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.7 | -71.9 | 173.3 | 0 | 0 | 0 | 112.8 | R70 Q71 V72 R78 | R70-L74 HydrophobicContact CG-CD1 4.5Å; R70-L74 VanDerWaalsContact O-CG 3.31Å; R70-L74 WeakPolarHBondContact O-CG 3.42Å; R70-L74 PolarHBondContact O-N 3.35Å; R70-L74 VanDerWaalsContact O-N 3.15Å; Q71-L74 PolarHBondContact O-N 3.42Å; V72-L74 PolarHBondContact O-N 3.29Å; L74-R78 PolarHBondContact O-NH1 2.94Å |
| 75 | D | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.5 | -46.6 | 178.9 | -78.9 | -28.9 | 0 | 0 | 0 | 112.2 | Q71 V72 E73 C77 R78 M79 Y115 | Q71-D75 PolarHBondContact NE2-OD1 2.82Å; Q71-D75 PolarHBondContact NE2-OD2 2.97Å; Q71-D75 VanDerWaalsContact NE2-OD2 3.15Å; Q71-D75 WeakPolarHBondContact O-CB 3.22Å; Q71-D75 PolarHBondContact O-N 3.39Å; V72-D75 PolarHBondContact O-N 2.96Å; E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.4Å; D75-C77 VanDerWaalsContact C-N 3.26Å; D75-C77 PolarHBondContact O-N 2.78Å; D75-R78 WeakPolarHBondContact O-CB 3.19Å; D75-R78 PolarHBondContact O-N 3.09Å; D75-R78 IonicContact OD1-CZ 3.8Å; D75-R78 IonicContact OD1-NE 2.67Å; D75-R78 IonicContact OD1-NH2 3.33Å; D75-R78 PolarHBondContact OD1-NH2 3.36Å; D75-M79 PolarHBondContact O-N 2.95Å; D75-Y115 WeakPolarHBondContact CB-OH 3.37Å; D75-Y115 WeakPolarHBondContact OD2-CE1 3.36Å; D75-Y115 PolarHBondContact OD2-OH 3.39Å |
| 76 | T | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -32.5 | 177 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | V72 E73 R78 M79 V99 T100 H120 | V72-T76 HydrophobicContact CG1-CG2 4.22Å; V72-T76 WeakPolarHBondContact O-CG2 3.47Å; V72-T76 PolarHBondContact O-N 3.01Å; V72-T76 PolarHBondContact O-OG1 3.36Å; V72-T76 VanDerWaalsContact O-OG1 3.13Å; E73-T76 PolarHBondContact O-N 3.44Å; E73-T76 PolarHBondContact O-OG1 3.01Å; T76-R78 PolarHBondContact O-N 2.92Å; T76-M79 VanDerWaalsContact O-CB 3.32Å; T76-M79 WeakPolarHBondContact O-CB 3.38Å; T76-M79 PolarHBondContact O-N 2.99Å; T76-V99 HydrophobicContact CG2-CB 4.28Å; T76-V99 HydrophobicContact CG2-CG1 3.89Å; T76-T100 PolarHBondContact OG1-OG1 3.12Å; T76-H120 HydrophobicContact CG2-CB 3.99Å |
| 77 | C | 96.2 | Very high | 95.9 | Very high | 63 Ų | 63 | 65.1 Ų | 65.1 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.8 | 171.6 | -72.6 | 0 | 0 | 0 | 0 | 113.4 | E73 D75 Q96 | E73-C77 PolarHBondContact O-N 2.82Å; E73-C77 PolarHBondContact O-SG 2.9Å; D75-C77 VanDerWaalsContact C-N 3.26Å; D75-C77 PolarHBondContact O-N 2.78Å; C77-Q96 PolarHBondContact O-NE2 2.74Å |
| 78 | R | 94.2 | Very high | 96 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.8 | -179.3 | -68 | -175.6 | -73.5 | -88.7 | 6.4 | 114.3 | L74 D75 T76 T80 | L74-R78 PolarHBondContact O-NH1 2.94Å; D75-R78 WeakPolarHBondContact O-CB 3.19Å; D75-R78 PolarHBondContact O-N 3.09Å; D75-R78 IonicContact OD1-CZ 3.8Å; D75-R78 IonicContact OD1-NE 2.67Å; D75-R78 IonicContact OD1-NH2 3.33Å; D75-R78 PolarHBondContact OD1-NH2 3.36Å; T76-R78 PolarHBondContact O-N 2.92Å; R78-T80 PolarHBondContact O-N 3.37Å |
| 79 | M | 93.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -77.7 | 3.4 | -174.9 | -175.7 | 175.7 | 67.8 | 0 | 0 | 114.2 | D75 T76 S81 L82 M83 V99 H120 Y124 | D75-M79 PolarHBondContact O-N 2.95Å; T76-M79 VanDerWaalsContact O-CB 3.32Å; T76-M79 WeakPolarHBondContact O-CB 3.38Å; T76-M79 PolarHBondContact O-N 2.99Å; M79-S81 PolarHBondContact O-N 2.72Å; M79-L82 HydrophobicContact CG-CB 4.37Å; M79-L82 HydrophobicContact CG-CD1 3.87Å; M79-L82 HydrophobicContact CG-CG 4.29Å; M79-L82 PolarHBondContact O-N 3.03Å; M79-M83 HydrophobicContact CE-CE 3.47Å; M79-M83 VanDerWaalsContact CE-CE 3.47Å; M79-V99 HydrophobicContact CE-CB 3.96Å; M79-V99 HydrophobicContact CE-CG1 3.87Å; M79-V99 HydrophobicContact CE-CG2 3.9Å; M79-V99 HydrophobicContact SD-CG1 4.24Å; M79-H120 HydrophobicContact SD-CB 4.48Å; M79-Y124 HydrophobicContact CE-CD2 3.84Å; M79-Y124 HydrophobicContact CE-CG 3.92Å; M79-Y124 WeakPolarHBondContact SD-CB 3.28Å; M79-Y124 HydrophobicContact SD-CD1 4.47Å; M79-Y124 HydrophobicContact SD-CD2 4.36Å; M79-Y124 HydrophobicContact SD-CG 3.81Å |
| 80 | T | 93.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -58.1 | -21 | -172.3 | 54.3 | 0 | 0 | 0 | 0 | 114 | R78 L82 M83 I92 | R78-T80 PolarHBondContact O-N 3.37Å; T80-L82 PolarHBondContact O-N 2.68Å; T80-M83 PolarHBondContact O-N 3.4Å; T80-M83 VanDerWaalsContact O-N 3.14Å; T80-I92 HydrophobicContact CG2-CG2 3.99Å |
| 81 | S | 91.8 | Very high | 96 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -63.9 | -23.2 | 174.4 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | M79 | M79-S81 PolarHBondContact O-N 2.72Š|
| 82 | L | 93.7 | Very high | 96 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -87.7 | -11.9 | 176.3 | -56.3 | -177.8 | 0 | 0 | 0 | 112.7 | M79 T80 D121 Y124 A199 M205 | M79-L82 HydrophobicContact CG-CB 4.37Å; M79-L82 HydrophobicContact CG-CD1 3.87Å; M79-L82 HydrophobicContact CG-CG 4.29Å; M79-L82 PolarHBondContact O-N 3.03Å; T80-L82 PolarHBondContact O-N 2.68Å; L82-D121 HydrophobicContact CD1-CB 3.74Å; L82-D121 WeakPolarHBondContact CD1-OD1 3.26Å; L82-Y124 HydrophobicContact CB-CD1 3.62Å; L82-Y124 HydrophobicContact CB-CE1 3.42Å; L82-Y124 VanDerWaalsContact CB-CE1 3.42Å; L82-Y124 HydrophobicContact CD1-CD1 3.92Å; L82-Y124 HydrophobicContact CG-CD1 4.43Å; L82-Y124 WeakPolarHBondContact O-CE1 3.31Å; L82-Y124 PolarHBondContact O-OH 3.17Å; L82-A199 WeakPolarHBondContact CD2-O 3.29Å; L82-M205 HydrophobicContact CB-SD 4.09Å; L82-M205 HydrophobicContact CD2-SD 4.19Å; L82-M205 WeakPolarHBondContact O-CG 3.49Å |
| 83 | M | 95.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 69.7 Ų | 69.7 | 5% | 0.054 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -85.1 | 150.1 | -176 | -60.8 | -176.3 | -176.7 | 0 | 0 | 111.8 | M79 T80 K85 L87 I92 I95 Q96 Y124 | M79-M83 HydrophobicContact CE-CE 3.47Å; M79-M83 VanDerWaalsContact CE-CE 3.47Å; T80-M83 PolarHBondContact O-N 3.4Å; T80-M83 VanDerWaalsContact O-N 3.14Å; M83-K85 PolarHBondContact O-N 3.02Å; M83-L87 HydrophobicContact CB-CD1 4.13Å; M83-I92 HydrophobicContact SD-CG1 4.44Å; M83-I92 HydrophobicContact SD-CG2 4.07Å; M83-I95 HydrophobicContact CE-CB 4.13Å; M83-I95 HydrophobicContact CE-CG2 3.43Å; M83-I95 VanDerWaalsContact CE-CG2 3.43Å; M83-I95 HydrophobicContact SD-CB 4.43Å; M83-I95 HydrophobicContact SD-CG2 4.12Å; M83-Q96 HydrophobicContact CE-CG 3.86Å; M83-Y124 WeakPolarHBondContact CA-OH 3.47Å; M83-Y124 HydrophobicContact CG-CE2 4.08Å |
| 84 | P | 94.5 | Very high | 95.9 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -53.7 | 132.4 | 169.9 | -22.5 | 30.7 | 0 | 0 | 0 | 111.3 | N86 L87 | P84-N86 VanDerWaalsContact CB-OD1 3.27Å; P84-N86 WeakPolarHBondContact CB-OD1 3.5Å; P84-N86 PolarHBondContact O-N 2.97Å; P84-L87 HydrophobicContact CB-CG 4.13Å; P84-L87 HydrophobicContact CG-CD1 4.43Å; P84-L87 HydrophobicContact CG-CG 4.45Å; P84-L87 WeakPolarHBondContact O-CG 3.23Å; P84-L87 PolarHBondContact O-N 3.27Å | ||
| 85 | K | 93.2 | Very high | 95.9 | Very high | 214 Ų | 214 | 67.6 Ų | 67.6 | 93% | 0.93 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.1 | -173.4 | -63.4 | -178.9 | -179.1 | 175.6 | 0 | 114 | M83 | M83-K85 PolarHBondContact O-N 3.02Š|
| 86 | N | 95.3 | Very high | 95.9 | Very high | 137 Ų | 137 | 68.8 Ų | 68.8 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 1.1 | -177.7 | 64.6 | -54.3 | 0 | 0 | 0 | 113.5 | P84 | P84-N86 VanDerWaalsContact CB-OD1 3.27Å; P84-N86 WeakPolarHBondContact CB-OD1 3.5Å; P84-N86 PolarHBondContact O-N 2.97Å |
| 87 | L | 96 | Very high | 95.9 | Very high | 38 Ų | 38 | 75.3 Ų | 75.3 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | trans | -69.4 | 142.7 | 176.7 | -64.8 | -178.7 | 0 | 0 | 0 | 111.6 | M83 P84 E91 I92 I95 | M83-L87 HydrophobicContact CB-CD1 4.13Å; P84-L87 HydrophobicContact CB-CG 4.13Å; P84-L87 HydrophobicContact CG-CD1 4.43Å; P84-L87 HydrophobicContact CG-CG 4.45Å; P84-L87 WeakPolarHBondContact O-CG 3.23Å; P84-L87 PolarHBondContact O-N 3.27Å; L87-E91 WeakPolarHBondContact CA-OE2 3.34Å; L87-E91 HydrophobicContact CB-CB 4.18Å; L87-E91 HydrophobicContact CD2-CB 4.08Å; L87-I92 HydrophobicContact CB-CD1 4.34Å; L87-I92 HydrophobicContact CB-CG1 3.79Å; L87-I92 HydrophobicContact CD1-CG1 4.31Å; L87-I95 HydrophobicContact CD1-CD1 3.48Å; L87-I95 VanDerWaalsContact CD1-CD1 3.48Å | ||
| 88 | N | 97.2 | Very high | 95.9 | Very high | 69 Ų | 69 | 73.8 Ų | 73.8 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | trans | -81.2 | 165.5 | 171.1 | 74.4 | 51.1 | 0 | 0 | 0 | 111.5 | E90 E91 I92 | N88-E90 VanDerWaalsContact C-N 3.28Å; N88-E90 PolarHBondContact O-N 2.76Å; N88-E90 WeakPolarHBondContact OD1-CA 3.4Å; N88-E90 WeakPolarHBondContact OD1-CB 3.45Å; N88-E90 PolarHBondContact OD1-N 3.09Å; N88-E91 VanDerWaalsContact CG-OE2 3.28Å; N88-E91 PolarHBondContact N-OE2 2.8Å; N88-E91 VanDerWaalsContact ND2-CD 3.27Å; N88-E91 PolarHBondContact ND2-OE2 2.95Å; N88-E91 PolarHBondContact O-N 3.33Å; N88-E91 PolarHBondContact OD1-N 3.38Å; N88-I92 WeakPolarHBondContact O-CG1 3.49Å; N88-I92 PolarHBondContact O-N 3.03Å | ||
| 89 | P | 96.9 | Very high | 96.1 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 69% | 0.688 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.3 | -34.6 | -178.2 | -28.1 | 36.7 | 0 | 0 | 0 | 115.1 | I92 E93 | P89-I92 PolarHBondContact O-N 3.09Å; P89-E93 WeakPolarHBondContact O-CB 3.49Å; P89-E93 PolarHBondContact O-N 3.5Å |
| 90 | E | 97.9 | Very high | 96.3 | Very high | 154 Ų | 154 | 69.5 Ų | 69.5 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.1 | -39.2 | -179.9 | -60.2 | 178.9 | 179.1 | 0 | 0 | 111.5 | N88 E93 S94 | N88-E90 VanDerWaalsContact C-N 3.28Å; N88-E90 PolarHBondContact O-N 2.76Å; N88-E90 WeakPolarHBondContact OD1-CA 3.4Å; N88-E90 WeakPolarHBondContact OD1-CB 3.45Å; N88-E90 PolarHBondContact OD1-N 3.09Å; E90-E93 PolarHBondContact O-N 3.32Å; E90-S94 VanDerWaalsContact O-CB 3.3Å; E90-S94 WeakPolarHBondContact O-CB 3.46Å; E90-S94 PolarHBondContact O-N 3.04Å |
| 91 | E | 97.7 | Very high | 96.5 | Very high | 85 Ų | 85 | 70.5 Ų | 70.5 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 173.3 | -69.6 | 171.8 | 136.3 | 0 | 0 | 111 | L87 N88 S94 I95 | L87-E91 WeakPolarHBondContact CA-OE2 3.34Å; L87-E91 HydrophobicContact CB-CB 4.18Å; L87-E91 HydrophobicContact CD2-CB 4.08Å; N88-E91 VanDerWaalsContact CG-OE2 3.28Å; N88-E91 PolarHBondContact N-OE2 2.8Å; N88-E91 VanDerWaalsContact ND2-CD 3.27Å; N88-E91 PolarHBondContact ND2-OE2 2.95Å; N88-E91 PolarHBondContact O-N 3.33Å; N88-E91 PolarHBondContact OD1-N 3.38Å; E91-S94 WeakPolarHBondContact O-CB 3.33Å; E91-S94 PolarHBondContact O-N 3.34Å; E91-I95 WeakPolarHBondContact O-CG1 3.47Å; E91-I95 PolarHBondContact O-N 2.83Å |
| 92 | I | 98 | Very high | 96.8 | Very high | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 175.6 | -68.5 | 168.7 | 0 | 0 | 0 | 110.2 | T80 M83 L87 N88 P89 S94 I95 Q96 | T80-I92 HydrophobicContact CG2-CG2 3.99Å; M83-I92 HydrophobicContact SD-CG1 4.44Å; M83-I92 HydrophobicContact SD-CG2 4.07Å; L87-I92 HydrophobicContact CB-CD1 4.34Å; L87-I92 HydrophobicContact CB-CG1 3.79Å; L87-I92 HydrophobicContact CD1-CG1 4.31Å; N88-I92 WeakPolarHBondContact O-CG1 3.49Å; N88-I92 PolarHBondContact O-N 3.03Å; P89-I92 PolarHBondContact O-N 3.09Å; I92-S94 VanDerWaalsContact C-N 3.31Å; I92-S94 PolarHBondContact O-N 3.13Å; I92-I95 PolarHBondContact O-N 2.85Å; I92-Q96 HydrophobicContact CG2-CG 4.39Å; I92-Q96 VanDerWaalsContact O-CG 3.27Å; I92-Q96 WeakPolarHBondContact O-CG 3.45Å; I92-Q96 PolarHBondContact O-N 3.09Å |
| 93 | E | 97.6 | Very high | 97 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.9 | -167.4 | -164.7 | 143.5 | 0 | 0 | 111.3 | P89 E90 I95 Q96 R97 | P89-E93 WeakPolarHBondContact O-CB 3.49Å; P89-E93 PolarHBondContact O-N 3.5Å; E90-E93 PolarHBondContact O-N 3.32Å; E93-I95 PolarHBondContact O-N 3.43Å; E93-Q96 PolarHBondContact O-N 3.28Å; E93-R97 WeakPolarHBondContact O-CG 3.39Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.67Å; E93-R97 IonicContact OE1-NE 3.37Å; E93-R97 IonicContact OE1-NH1 2.68Å; E93-R97 PolarHBondContact OE1-NH1 2.67Å |
| 94 | S | 97.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 176.2 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | E90 E91 I92 R97 I98 | E90-S94 VanDerWaalsContact O-CB 3.3Å; E90-S94 WeakPolarHBondContact O-CB 3.46Å; E90-S94 PolarHBondContact O-N 3.04Å; E91-S94 WeakPolarHBondContact O-CB 3.33Å; E91-S94 PolarHBondContact O-N 3.34Å; I92-S94 VanDerWaalsContact C-N 3.31Å; I92-S94 PolarHBondContact O-N 3.13Å; S94-R97 PolarHBondContact O-N 3.33Å; S94-I98 VanDerWaalsContact O-CG1 3.29Å; S94-I98 WeakPolarHBondContact O-CG1 3.31Å; S94-I98 PolarHBondContact O-N 3.28Å |
| 95 | I | 98.1 | Very high | 97.2 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.3 | -68.3 | 172.9 | 0 | 0 | 0 | 110.9 | M83 L87 E91 I92 E93 R97 I98 V99 Y124 F127 | M83-I95 HydrophobicContact CE-CB 4.13Å; M83-I95 HydrophobicContact CE-CG2 3.43Å; M83-I95 VanDerWaalsContact CE-CG2 3.43Å; M83-I95 HydrophobicContact SD-CB 4.43Å; M83-I95 HydrophobicContact SD-CG2 4.12Å; L87-I95 HydrophobicContact CD1-CD1 3.48Å; L87-I95 VanDerWaalsContact CD1-CD1 3.48Å; E91-I95 WeakPolarHBondContact O-CG1 3.47Å; E91-I95 PolarHBondContact O-N 2.83Å; I92-I95 PolarHBondContact O-N 2.85Å; E93-I95 PolarHBondContact O-N 3.43Å; I95-R97 VanDerWaalsContact C-N 3.31Å; I95-R97 PolarHBondContact O-N 3.01Å; I95-I98 PolarHBondContact O-N 2.82Å; I95-V99 HydrophobicContact CG2-CG2 4.17Å; I95-V99 WeakPolarHBondContact O-CG2 3.4Å; I95-V99 PolarHBondContact O-N 3.08Å; I95-Y124 HydrophobicContact CG2-CD2 3.97Å; I95-Y124 HydrophobicContact CG2-CE2 3.8Å; I95-F127 HydrophobicContact CB-CE1 4.45Å; I95-F127 HydrophobicContact CG1-CE1 4.17Å; I95-F127 HydrophobicContact CG2-CD1 4.41Å; I95-F127 HydrophobicContact CG2-CE1 3.88Å |
| 96 | Q | 98.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 179.1 | -71.5 | 173.1 | -15.4 | 0 | 0 | 112 | C77 M83 I92 E93 T100 | C77-Q96 PolarHBondContact O-NE2 2.74Å; M83-Q96 HydrophobicContact CE-CG 3.86Å; I92-Q96 HydrophobicContact CG2-CG 4.39Å; I92-Q96 VanDerWaalsContact O-CG 3.27Å; I92-Q96 WeakPolarHBondContact O-CG 3.45Å; I92-Q96 PolarHBondContact O-N 3.09Å; E93-Q96 PolarHBondContact O-N 3.28Å; Q96-T100 VanDerWaalsContact O-CB 3.32Å; Q96-T100 WeakPolarHBondContact O-CB 3.49Å; Q96-T100 PolarHBondContact O-N 2.78Å; Q96-T100 PolarHBondContact O-OG1 3.1Å |
| 97 | R | 96.8 | Very high | 97.5 | Very high | 137 Ų | 137 | 45.7 Ų | 45.7 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.3 | -70.7 | -176.1 | -57.8 | -157 | 9.1 | 112.1 | E93 S94 I95 R101 | E93-R97 WeakPolarHBondContact O-CG 3.39Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.67Å; E93-R97 IonicContact OE1-NE 3.37Å; E93-R97 IonicContact OE1-NH1 2.68Å; E93-R97 PolarHBondContact OE1-NH1 2.67Å; S94-R97 PolarHBondContact O-N 3.33Å; I95-R97 VanDerWaalsContact C-N 3.31Å; I95-R97 PolarHBondContact O-N 3.01Å; R97-R101 WeakPolarHBondContact O-CB 3.43Å; R97-R101 PolarHBondContact O-N 3.13Å |
| 98 | I | 97.1 | Very high | 97.5 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -47.2 | 178 | -66.1 | 162.9 | 0 | 0 | 0 | 110.6 | S94 I95 T100 R101 L102 F127 E132 | S94-I98 VanDerWaalsContact O-CG1 3.29Å; S94-I98 WeakPolarHBondContact O-CG1 3.31Å; S94-I98 PolarHBondContact O-N 3.28Å; I95-I98 PolarHBondContact O-N 2.82Å; I98-T100 PolarHBondContact O-N 3.5Å; I98-R101 PolarHBondContact O-N 2.68Å; I98-L102 WeakPolarHBondContact O-CB 3.11Å; I98-L102 PolarHBondContact O-N 2.84Å; I98-F127 HydrophobicContact CB-CE2 4.26Å; I98-F127 HydrophobicContact CB-CZ 4.27Å; I98-F127 HydrophobicContact CD1-CE2 4.3Å; I98-F127 HydrophobicContact CD1-CZ 4.02Å; I98-F127 HydrophobicContact CG2-CD2 3.73Å; I98-F127 HydrophobicContact CG2-CE2 3.36Å; I98-F127 HydrophobicContact CG2-CZ 3.85Å; I98-E132 HydrophobicContact CG2-CB 4.09Å; I98-E132 HydrophobicContact CG2-CG 4.14Å |
| 99 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | T76 M79 I95 R101 L102 V103 C123 Y124 F127 | T76-V99 HydrophobicContact CG2-CB 4.28Å; T76-V99 HydrophobicContact CG2-CG1 3.89Å; M79-V99 HydrophobicContact CE-CB 3.96Å; M79-V99 HydrophobicContact CE-CG1 3.87Å; M79-V99 HydrophobicContact CE-CG2 3.9Å; M79-V99 HydrophobicContact SD-CG1 4.24Å; I95-V99 HydrophobicContact CG2-CG2 4.17Å; I95-V99 WeakPolarHBondContact O-CG2 3.4Å; I95-V99 PolarHBondContact O-N 3.08Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 3.34Å; V99-L102 PolarHBondContact O-N 3.24Å; V99-V103 HydrophobicContact CG1-CG2 4.18Å; V99-V103 VanDerWaalsContact O-CG2 3.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.37Å; V99-V103 PolarHBondContact O-N 3.25Å; V99-C123 HydrophobicContact CG1-CB 4.28Å; V99-Y124 HydrophobicContact CG2-CD2 3.99Å; V99-F127 HydrophobicContact CG2-CB 4.47Å; V99-F127 HydrophobicContact CG2-CD1 3.84Å; V99-F127 HydrophobicContact CG2-CE1 4.44Å; V99-F127 HydrophobicContact CG2-CG 4.23Å |
| 100 | T | 98 | Very high | 97.3 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 172.9 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | Y69 V72 E73 T76 Q96 I98 L102 V103 I104 | Y69-T100 HydrophobicContact CD2-CG2 4.36Å; Y69-T100 HydrophobicContact CE2-CG2 3.88Å; V72-T100 HydrophobicContact CG1-CG2 4.1Å; E73-T100 HydrophobicContact CB-CG2 4.38Å; T76-T100 PolarHBondContact OG1-OG1 3.12Å; Q96-T100 VanDerWaalsContact O-CB 3.32Å; Q96-T100 WeakPolarHBondContact O-CB 3.49Å; Q96-T100 PolarHBondContact O-N 2.78Å; Q96-T100 PolarHBondContact O-OG1 3.1Å; I98-T100 PolarHBondContact O-N 3.5Å; T100-L102 VanDerWaalsContact C-N 3.35Å; T100-L102 PolarHBondContact O-N 3.08Å; T100-V103 PolarHBondContact O-N 2.89Å; T100-I104 VanDerWaalsContact O-CG1 3.28Å; T100-I104 WeakPolarHBondContact O-CG1 3.42Å; T100-I104 PolarHBondContact O-N 3.48Å |
| 101 | R | 97.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 38.9 Ų | 38.9 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.4 | -177.7 | 170.6 | 61.7 | -114.5 | -0.4 | 111.8 | V63 R97 I98 V99 I104 S105 E132 | V63-R101 HydrophobicContact CG1-CG 4.35Å; R97-R101 WeakPolarHBondContact O-CB 3.43Å; R97-R101 PolarHBondContact O-N 3.13Å; I98-R101 PolarHBondContact O-N 2.68Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 3.34Å; R101-I104 PolarHBondContact O-N 2.9Å; R101-S105 WeakPolarHBondContact O-CB 3.47Å; R101-S105 PolarHBondContact O-N 3.16Å; R101-S105 PolarHBondContact O-OG 3.41Å; R101-E132 IonicContact CZ-OE1 2.75Å; R101-E132 IonicContact CZ-OE2 2.71Å; R101-E132 IonicContact NE-OE1 3.13Å; R101-E132 PolarHBondContact NE-OE1 3.25Å; R101-E132 IonicContact NE-OE2 3.76Å; R101-E132 VanDerWaalsContact NH2-CD 3.34Å; R101-E132 IonicContact NH2-OE1 3.7Å; R101-E132 PolarHBondContact NH2-OE1 3.33Å; R101-E132 IonicContact NH2-OE2 2.69Å; R101-E132 PolarHBondContact NH2-OE2 2.88Å |
| 102 | L | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -50.8 | 177.7 | 174.9 | 59.6 | 0 | 0 | 0 | 111.9 | I98 V99 T100 I104 S105 V106 C123 F127 R136 L139 | I98-L102 WeakPolarHBondContact O-CB 3.11Å; I98-L102 PolarHBondContact O-N 2.84Å; V99-L102 PolarHBondContact O-N 3.24Å; T100-L102 VanDerWaalsContact C-N 3.35Å; T100-L102 PolarHBondContact O-N 3.08Å; L102-I104 VanDerWaalsContact C-N 3.34Å; L102-I104 PolarHBondContact O-N 2.69Å; L102-S105 WeakPolarHBondContact O-CB 3.45Å; L102-S105 PolarHBondContact O-N 3.27Å; L102-V106 HydrophobicContact CD1-CG2 4.34Å; L102-V106 WeakPolarHBondContact O-CG2 3.43Å; L102-V106 PolarHBondContact O-N 3.08Å; L102-C123 HydrophobicContact CD2-CB 4.05Å; L102-C123 HydrophobicContact CG-CB 4.35Å; L102-F127 HydrophobicContact CD2-CB 3.95Å; L102-R136 HydrophobicContact CD1-CB 3.64Å; L102-R136 HydrophobicContact CD1-CG 4.37Å; L102-L139 HydrophobicContact CD1-CD1 4.22Å; L102-L139 HydrophobicContact CD2-CD1 4.23Å; L102-L139 HydrophobicContact CG-CD1 4.27Å |
| 103 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 179.3 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | V72 V99 T100 V106 L107 Y115 F119 H120 C123 | V72-V103 HydrophobicContact CB-CG1 4.35Å; V72-V103 HydrophobicContact CG1-CB 3.71Å; V72-V103 HydrophobicContact CG1-CG1 3.62Å; V72-V103 HydrophobicContact CG1-CG2 4.24Å; V72-V103 HydrophobicContact CG2-CG1 3.69Å; V99-V103 HydrophobicContact CG1-CG2 4.18Å; V99-V103 VanDerWaalsContact O-CG2 3.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.37Å; V99-V103 PolarHBondContact O-N 3.25Å; T100-V103 PolarHBondContact O-N 2.89Å; V103-V106 PolarHBondContact O-N 3.47Å; V103-L107 HydrophobicContact CG1-CD1 4.13Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.9Å; V103-L107 VanDerWaalsContact O-N 3.1Å; V103-Y115 HydrophobicContact CG1-CD2 3.89Å; V103-Y115 HydrophobicContact CG1-CE2 3.87Å; V103-F119 HydrophobicContact CG1-CD1 4.12Å; V103-H120 HydrophobicContact CG2-CB 4.16Å; V103-C123 HydrophobicContact CG2-CB 3.68Å; V103-C123 VanDerWaalsContact CG2-SG 3.59Å |
| 104 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.4 | -37.8 | -179.2 | -62.8 | -68.9 | 0 | 0 | 0 | 111.5 | V63 H66 Y69 V72 T100 R101 L102 V106 L107 V108 | V63-I104 HydrophobicContact CB-CG2 4.07Å; V63-I104 HydrophobicContact CG1-CB 3.92Å; V63-I104 HydrophobicContact CG1-CG2 3.69Å; V63-I104 HydrophobicContact CG2-CG2 4.35Å; V63-I104 WeakPolarHBondContact O-CG2 3.38Å; H66-I104 HydrophobicContact CB-CD1 4.31Å; H66-I104 HydrophobicContact CB-CG2 3.61Å; Y69-I104 HydrophobicContact CD2-CG1 4.04Å; V72-I104 HydrophobicContact CB-CD1 4.08Å; V72-I104 HydrophobicContact CB-CG1 4.4Å; V72-I104 HydrophobicContact CG1-CD1 4.46Å; V72-I104 HydrophobicContact CG1-CG1 4.3Å; V72-I104 HydrophobicContact CG2-CD1 3.8Å; V72-I104 HydrophobicContact CG2-CG1 4.49Å; T100-I104 VanDerWaalsContact O-CG1 3.28Å; T100-I104 WeakPolarHBondContact O-CG1 3.42Å; T100-I104 PolarHBondContact O-N 3.48Å; R101-I104 PolarHBondContact O-N 2.9Å; L102-I104 VanDerWaalsContact C-N 3.34Å; L102-I104 PolarHBondContact O-N 2.69Å; I104-V106 VanDerWaalsContact C-N 3.28Å; I104-V106 PolarHBondContact O-N 3.27Å; I104-L107 HydrophobicContact CD1-CD1 4.18Å; I104-L107 PolarHBondContact O-N 3.42Å; I104-L107 VanDerWaalsContact O-N 3.09Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.17Å; I104-V108 PolarHBondContact O-N 2.84Å |
| 105 | S | 97.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | 174.5 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | I58 R101 L102 L107 V108 D109 | I58-S105 VanDerWaalsContact CD1-CA 3.46Å; I58-S105 WeakPolarHBondContact CD1-O 3.43Å; R101-S105 WeakPolarHBondContact O-CB 3.47Å; R101-S105 PolarHBondContact O-N 3.16Å; R101-S105 PolarHBondContact O-OG 3.41Å; L102-S105 WeakPolarHBondContact O-CB 3.45Å; L102-S105 PolarHBondContact O-N 3.27Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 2.89Å; S105-V108 PolarHBondContact O-N 2.72Å; S105-D109 PolarHBondContact O-N 3.25Å |
| 106 | V | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -36.9 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | L102 V103 I104 D109 N110 F119 R136 L139 I143 | L102-V106 HydrophobicContact CD1-CG2 4.34Å; L102-V106 WeakPolarHBondContact O-CG2 3.43Å; L102-V106 PolarHBondContact O-N 3.08Å; V103-V106 PolarHBondContact O-N 3.47Å; I104-V106 VanDerWaalsContact C-N 3.28Å; I104-V106 PolarHBondContact O-N 3.27Å; V106-D109 PolarHBondContact O-N 3.17Å; V106-N110 PolarHBondContact O-N 3.25Å; V106-N110 PolarHBondContact O-ND2 3.11Å; V106-F119 HydrophobicContact CB-CE1 4.48Å; V106-F119 HydrophobicContact CG1-CE1 4Å; V106-F119 HydrophobicContact CG1-CZ 3.98Å; V106-R136 HydrophobicContact CG2-CG 4.15Å; V106-L139 HydrophobicContact CG2-CB 4.03Å; V106-L139 HydrophobicContact CG2-CD1 4.12Å; V106-I143 HydrophobicContact CG1-CD1 3.24Å |
| 107 | L | 97.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.8 | -37.3 | 176 | -67.4 | 166.2 | 0 | 0 | 0 | 112.4 | V103 I104 S105 D109 N110 Y115 M151 | V103-L107 HydrophobicContact CG1-CD1 4.13Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.9Å; V103-L107 VanDerWaalsContact O-N 3.1Å; I104-L107 HydrophobicContact CD1-CD1 4.18Å; I104-L107 PolarHBondContact O-N 3.42Å; I104-L107 VanDerWaalsContact O-N 3.09Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 2.89Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.45Å; L107-N110 CarbonylContact O-C 3.56Å; L107-N110 PolarHBondContact O-N 3.47Å; L107-N110 VanDerWaalsContact O-N 3.09Å; L107-Y115 HydrophobicContact CD1-CD2 4.22Å; L107-Y115 HydrophobicContact CD1-CG 4.36Å; L107-M151 HydrophobicContact CD2-CE 3.51Å |
| 108 | V | 96.1 | Very high | 96.9 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 19% | 0.194 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 172.9 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | I58 M62 I104 S105 N110 | I58-V108 HydrophobicContact CD1-CB 4.06Å; I58-V108 HydrophobicContact CD1-CG1 3.97Å; I58-V108 HydrophobicContact CG1-CG1 4.38Å; I58-V108 HydrophobicContact CG2-CG1 4.13Å; M62-V108 HydrophobicContact CE-CG1 3.73Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.17Å; I104-V108 PolarHBondContact O-N 2.84Å; S105-V108 PolarHBondContact O-N 2.72Å; V108-N110 PolarHBondContact O-N 2.95Å |
| 109 | D | 94.5 | Very high | 96.9 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.4 | -22.9 | 174.8 | -66.2 | -33.6 | 0 | 0 | 0 | 112.7 | S105 V106 L107 R136 N140 | S105-D109 PolarHBondContact O-N 3.25Å; V106-D109 PolarHBondContact O-N 3.17Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.45Å; D109-R136 IonicContact OD1-CZ 2.88Å; D109-R136 IonicContact OD1-NE 3.36Å; D109-R136 IonicContact OD1-NH2 3.09Å; D109-R136 PolarHBondContact OD1-NH2 3.29Å; D109-R136 IonicContact OD2-CZ 3.77Å; D109-R136 IonicContact OD2-NE 3.66Å; D109-R136 PolarHBondContact OD2-NE 3.46Å; D109-R136 IonicContact OD2-NH2 3.72Å; D109-R136 PolarHBondContact OD2-NH2 3.33Å; D109-N140 WeakPolarHBondContact CB-OD1 3.49Å; D109-N140 PolarHBondContact OD2-ND2 3.19Å |
| 110 | N | 95.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | trans | -129.3 | 67.2 | -173.8 | -61.8 | -89.6 | 0 | 0 | 0 | 111.9 | V106 L107 V108 S112 L113 N140 | V106-N110 PolarHBondContact O-N 3.25Å; V106-N110 PolarHBondContact O-ND2 3.11Å; L107-N110 CarbonylContact O-C 3.56Å; L107-N110 PolarHBondContact O-N 3.47Å; L107-N110 VanDerWaalsContact O-N 3.09Å; V108-N110 PolarHBondContact O-N 2.95Å; N110-S112 PolarHBondContact O-N 3.31Å; N110-L113 HydrophobicContact CB-CB 4.25Å; N110-L113 HydrophobicContact CB-CD1 3.67Å; N110-L113 HydrophobicContact CB-CG 3.99Å; N110-L113 WeakPolarHBondContact O-CB 3.41Å; N110-L113 PolarHBondContact O-N 3.45Å; N110-N140 PolarHBondContact ND2-OD1 3.49Å | ||
| 111 | P | 95.1 | Very high | 97 | Very high | 115 Ų | 115 | 29.7 Ų | 29.7 | 75% | 0.747 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15 | -169 | 25.8 | -36.2 | 0 | 0 | 0 | 115.2 | L113 | P111-L113 VanDerWaalsContact C-N 3.33Š|
| 112 | S | 95.9 | Very high | 97 | Very high | 98 Ų | 98 | 25.4 Ų | 25.4 | 69% | 0.685 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.7 | 174.5 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | N110 | N110-S112 PolarHBondContact O-N 3.31Š|
| 113 | L | 97.1 | Very high | 97.1 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 12% | 0.12 | 14% | 0.144 | C | C | . | . | trans | -97.8 | 153.7 | -175.3 | -61.4 | -174.9 | 0 | 0 | 0 | 111.5 | N110 P111 I143 M151 | N110-L113 HydrophobicContact CB-CB 4.25Å; N110-L113 HydrophobicContact CB-CD1 3.67Å; N110-L113 HydrophobicContact CB-CG 3.99Å; N110-L113 WeakPolarHBondContact O-CB 3.41Å; N110-L113 PolarHBondContact O-N 3.45Å; P111-L113 VanDerWaalsContact C-N 3.33Å; L113-I143 HydrophobicContact CD1-CD1 4.36Å; L113-I143 HydrophobicContact CD1-CG2 3.28Å; L113-M151 HydrophobicContact CB-CB 4Å; L113-M151 HydrophobicContact CB-CE 4.12Å; L113-M151 HydrophobicContact CB-SD 4.49Å; L113-M151 HydrophobicContact CD1-CB 4.31Å; L113-M151 HydrophobicContact CD1-CE 4.31Å; L113-M151 HydrophobicContact CD1-SD 3.85Å; L113-M151 HydrophobicContact CD2-CB 4.19Å; L113-M151 HydrophobicContact CG-CB 4.4Å | ||
| 114 | H | 97.5 | Very high | 97.1 | Very high | 84 Ų | 84 | 25.7 Ų | 25.7 | 39% | 0.389 | 15% | 0.145 | S | C | . | . | trans | -114.8 | 139 | -177.6 | -60.7 | 65.7 | 0 | 0 | 0 | 109.4 | Y116 M151 | H114-Y116 PolarHBondContact O-N 2.79Å; H114-M151 PolarHBondContact N-O 2.93Å; H114-M151 WeakPolarHBondContact O-CA 3.45Å; H114-M151 WeakPolarHBondContact O-CB 3.28Å | ||
| 115 | Y | 98 | Very high | 97.1 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 13% | 0.125 | 15% | 0.145 | C | C | . | . | trans | -65 | 133.9 | 172.6 | 176.8 | -105.8 | 0 | 0 | 0 | 110.8 | Q71 V72 D75 V103 L107 F119 H120 | Q71-Y115 HydrophobicContact CG-CD1 4.16Å; Q71-Y115 HydrophobicContact CG-CE1 3.86Å; V72-Y115 HydrophobicContact CG2-CD1 4.05Å; V72-Y115 HydrophobicContact CG2-CD2 3.72Å; V72-Y115 HydrophobicContact CG2-CE1 4.02Å; V72-Y115 HydrophobicContact CG2-CE2 3.7Å; V72-Y115 HydrophobicContact CG2-CG 3.9Å; D75-Y115 WeakPolarHBondContact CB-OH 3.37Å; D75-Y115 WeakPolarHBondContact OD2-CE1 3.36Å; D75-Y115 PolarHBondContact OD2-OH 3.39Å; V103-Y115 HydrophobicContact CG1-CD2 3.89Å; V103-Y115 HydrophobicContact CG1-CE2 3.87Å; L107-Y115 HydrophobicContact CD1-CD2 4.22Å; L107-Y115 HydrophobicContact CD1-CG 4.36Å; Y115-F119 HydrophobicContact CD2-CB 4.33Å; Y115-F119 HydrophobicContact CD2-CD1 4.5Å; Y115-F119 HydrophobicContact CE2-CB 4.02Å; Y115-H120 PolarHBondContact OH-ND1 3.14Å | ||
| 116 | Y | 97.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | trans | -117.8 | 146.5 | 168.7 | 72 | -92.2 | 0 | 0 | 0 | 110.1 | H114 G118 F119 F150 M151 I195 | H114-Y116 PolarHBondContact O-N 2.79Å; Y116-G118 PolarHBondContact O-N 3.16Å; Y116-F119 HydrophobicContact CD1-CB 4.17Å; Y116-F119 HydrophobicContact CD2-CB 4.38Å; Y116-F119 HydrophobicContact CE1-CB 3.77Å; Y116-F119 AromaticContact CE1-CD2 3.86Å; Y116-F119 HydrophobicContact CE1-CD2 3.86Å; Y116-F119 HydrophobicContact CE1-CG 4.07Å; Y116-F119 HydrophobicContact CE2-CB 3.98Å; Y116-F119 HydrophobicContact CG-CB 4.46Å; Y116-F119 AromaticContact CZ-CD2 3.9Å; Y116-F119 PolarHBondContact O-N 3.49Å; Y116-F150 HydrophobicContact CD1-CB 3.92Å; Y116-F150 VanDerWaalsContact CD1-O 3.3Å; Y116-F150 WeakPolarHBondContact CD1-O 3.45Å; Y116-F150 HydrophobicContact CE1-CB 3.58Å; Y116-F150 HydrophobicContact CE2-CB 4.48Å; Y116-F150 HydrophobicContact CG-CB 4.49Å; Y116-M151 HydrophobicContact CD1-CG 3.72Å; Y116-M151 HydrophobicContact CE1-CG 3.65Å; Y116-I195 HydrophobicContact CD2-CB 4.14Å; Y116-I195 HydrophobicContact CD2-CD1 4.06Å; Y116-I195 HydrophobicContact CD2-CG1 4.31Å; Y116-I195 HydrophobicContact CE2-CB 3.62Å; Y116-I195 HydrophobicContact CE2-CD1 4.23Å; Y116-I195 HydrophobicContact CE2-CG1 3.97Å; Y116-I195 VanDerWaalsContact CE2-O 3.31Å; Y116-I195 WeakPolarHBondContact CE2-O 3.38Å; Y116-I195 PolarHBondContact OH-O 2.76Å | ||
| 117 | Q | 96.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 27.1 Ų | 27.1 | 17% | 0.173 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 124.1 | 178.4 | -172.6 | 178.7 | -8.5 | 0 | 0 | 110.3 | I195 I335 | Q117-I195 VanDerWaalsContact O-CD1 3.29Å; Q117-I195 WeakPolarHBondContact O-CD1 3.34Å; Q117-I335 HydrophobicContact CG-CG1 4.24Å |
| 118 | G | 96.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.1 | -17 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y116 H120 D121 | Y116-G118 PolarHBondContact O-N 3.16Å; G118-H120 PolarHBondContact N-CE1 3.3Å; G118-H120 PolarHBondContact N-ND1 3.13Å; G118-H120 PolarHBondContact O-N 3.14Å; G118-D121 WeakPolarHBondContact O-CB 3.42Å; G118-D121 PolarHBondContact O-N 2.8Å |
| 119 | F | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -26.9 | 175.4 | -172.2 | -118.8 | 0 | 0 | 0 | 113.1 | V103 V106 Y115 Y116 D121 I122 C123 L139 F147 M151 | V103-F119 HydrophobicContact CG1-CD1 4.12Å; V106-F119 HydrophobicContact CB-CE1 4.48Å; V106-F119 HydrophobicContact CG1-CE1 4Å; V106-F119 HydrophobicContact CG1-CZ 3.98Å; Y115-F119 HydrophobicContact CD2-CB 4.33Å; Y115-F119 HydrophobicContact CD2-CD1 4.5Å; Y115-F119 HydrophobicContact CE2-CB 4.02Å; Y116-F119 HydrophobicContact CD1-CB 4.17Å; Y116-F119 HydrophobicContact CD2-CB 4.38Å; Y116-F119 HydrophobicContact CE1-CB 3.77Å; Y116-F119 AromaticContact CE1-CD2 3.86Å; Y116-F119 HydrophobicContact CE1-CD2 3.86Å; Y116-F119 HydrophobicContact CE1-CG 4.07Å; Y116-F119 HydrophobicContact CE2-CB 3.98Å; Y116-F119 HydrophobicContact CG-CB 4.46Å; Y116-F119 AromaticContact CZ-CD2 3.9Å; Y116-F119 PolarHBondContact O-N 3.49Å; F119-D121 VanDerWaalsContact C-N 3.3Å; F119-D121 PolarHBondContact O-N 2.73Å; F119-I122 HydrophobicContact CD2-CB 4.34Å; F119-I122 HydrophobicContact CE2-CG2 4.5Å; F119-I122 WeakPolarHBondContact O-CB 3.26Å; F119-I122 PolarHBondContact O-N 2.62Å; F119-C123 WeakPolarHBondContact CE1-SG 3.29Å; F119-C123 PolarHBondContact O-N 3.01Å; F119-C123 PolarHBondContact O-SG 3.09Å; F119-L139 HydrophobicContact CZ-CD2 4.42Å; F119-F147 HydrophobicContact CE2-CD2 4.42Å; F119-F147 HydrophobicContact CE2-CG 4.27Å; F119-M151 HydrophobicContact CD1-CE 4.36Å; F119-M151 HydrophobicContact CE1-CE 4.12Å; F119-M151 HydrophobicContact CE2-SD 4.41Å; F119-M151 HydrophobicContact CZ-CE 4.32Å; F119-M151 HydrophobicContact CZ-SD 4.4Å |
| 120 | H | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -35.2 | 173.7 | 58.6 | -83.5 | 0 | 0 | 0 | 112.5 | T76 M79 V103 Y115 G118 C123 Y124 | T76-H120 HydrophobicContact CG2-CB 3.99Å; M79-H120 HydrophobicContact SD-CB 4.48Å; V103-H120 HydrophobicContact CG2-CB 4.16Å; Y115-H120 PolarHBondContact OH-ND1 3.14Å; G118-H120 PolarHBondContact N-CE1 3.3Å; G118-H120 PolarHBondContact N-ND1 3.13Å; G118-H120 PolarHBondContact O-N 3.14Å; H120-C123 PolarHBondContact O-N 3.3Å; H120-Y124 WeakPolarHBondContact O-CB 3.34Å; H120-Y124 PolarHBondContact O-N 3.42Å |
| 121 | D | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 176 | -66.9 | -18.2 | 0 | 0 | 0 | 110.2 | L82 G118 F119 C123 Y124 V125 A199 H200 | L82-D121 HydrophobicContact CD1-CB 3.74Å; L82-D121 WeakPolarHBondContact CD1-OD1 3.26Å; G118-D121 WeakPolarHBondContact O-CB 3.42Å; G118-D121 PolarHBondContact O-N 2.8Å; F119-D121 VanDerWaalsContact C-N 3.3Å; F119-D121 PolarHBondContact O-N 2.73Å; D121-C123 PolarHBondContact O-N 2.89Å; D121-Y124 PolarHBondContact O-N 2.91Å; D121-V125 WeakPolarHBondContact O-CG2 3.42Å; D121-V125 PolarHBondContact O-N 3.33Å; D121-A199 HydrophobicContact CB-CB 4.16Å; D121-H200 WeakPolarHBondContact OD2-CB 3.43Å; D121-H200 IonicContact OD2-CG 2.72Å; D121-H200 IonicContact OD2-ND1 3.11Å; D121-H200 PolarHBondContact OD2-ND1 3.08Å |
| 122 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 173.7 | -58.5 | -63.7 | 0 | 0 | 0 | 110.6 | F119 Y124 V125 F126 L139 F147 T196 W197 F212 | F119-I122 HydrophobicContact CD2-CB 4.34Å; F119-I122 HydrophobicContact CE2-CG2 4.5Å; F119-I122 WeakPolarHBondContact O-CB 3.26Å; F119-I122 PolarHBondContact O-N 2.62Å; I122-Y124 VanDerWaalsContact C-N 3.28Å; I122-Y124 PolarHBondContact O-N 2.98Å; I122-V125 PolarHBondContact O-N 2.86Å; I122-F126 HydrophobicContact CG2-CD2 3.95Å; I122-F126 HydrophobicContact CG2-CE2 3.83Å; I122-F126 WeakPolarHBondContact O-CD2 3.45Å; I122-F126 PolarHBondContact O-N 2.81Å; I122-L139 HydrophobicContact CG2-CD2 3.97Å; I122-F147 HydrophobicContact CD1-CE1 4.43Å; I122-F147 HydrophobicContact CG1-CE1 4.39Å; I122-F147 HydrophobicContact CG2-CE1 3.93Å; I122-F147 HydrophobicContact CG2-CE2 4.42Å; I122-F147 HydrophobicContact CG2-CZ 3.7Å; I122-T196 WeakPolarHBondContact CD1-O 3.47Å; I122-W197 HydrophobicContact CD1-CB 3.66Å; I122-W197 HydrophobicContact CD1-CD2 4.15Å; I122-W197 HydrophobicContact CD1-CG 3.67Å; I122-F212 HydrophobicContact CD1-CE1 4.46Å; I122-F212 HydrophobicContact CD1-CZ 3.75Å; I122-F212 HydrophobicContact CG2-CE1 4.47Å |
| 123 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | -178.4 | -67.9 | 0 | 0 | 0 | 0 | 112 | V99 L102 V103 F119 H120 D121 F127 L139 | V99-C123 HydrophobicContact CG1-CB 4.28Å; L102-C123 HydrophobicContact CD2-CB 4.05Å; L102-C123 HydrophobicContact CG-CB 4.35Å; V103-C123 HydrophobicContact CG2-CB 3.68Å; V103-C123 VanDerWaalsContact CG2-SG 3.59Å; F119-C123 WeakPolarHBondContact CE1-SG 3.29Å; F119-C123 PolarHBondContact O-N 3.01Å; F119-C123 PolarHBondContact O-SG 3.09Å; H120-C123 PolarHBondContact O-N 3.3Å; D121-C123 PolarHBondContact O-N 2.89Å; C123-F127 VanDerWaalsContact O-CB 3.26Å; C123-F127 WeakPolarHBondContact O-CB 3.46Å; C123-F127 PolarHBondContact O-N 3.35Å; C123-L139 HydrophobicContact CB-CD1 4.28Å |
| 124 | Y | 98.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.8 | 170.9 | -99.5 | 0 | 0 | 0 | 112.7 | M79 L82 M83 I95 V99 H120 D121 I122 F126 F127 S128 M205 | M79-Y124 HydrophobicContact CE-CD2 3.84Å; M79-Y124 HydrophobicContact CE-CG 3.92Å; M79-Y124 WeakPolarHBondContact SD-CB 3.28Å; M79-Y124 HydrophobicContact SD-CD1 4.47Å; M79-Y124 HydrophobicContact SD-CD2 4.36Å; M79-Y124 HydrophobicContact SD-CG 3.81Å; L82-Y124 HydrophobicContact CB-CD1 3.62Å; L82-Y124 HydrophobicContact CB-CE1 3.42Å; L82-Y124 VanDerWaalsContact CB-CE1 3.42Å; L82-Y124 HydrophobicContact CD1-CD1 3.92Å; L82-Y124 HydrophobicContact CG-CD1 4.43Å; L82-Y124 WeakPolarHBondContact O-CE1 3.31Å; L82-Y124 PolarHBondContact O-OH 3.17Å; M83-Y124 WeakPolarHBondContact CA-OH 3.47Å; M83-Y124 HydrophobicContact CG-CE2 4.08Å; I95-Y124 HydrophobicContact CG2-CD2 3.97Å; I95-Y124 HydrophobicContact CG2-CE2 3.8Å; V99-Y124 HydrophobicContact CG2-CD2 3.99Å; H120-Y124 WeakPolarHBondContact O-CB 3.34Å; H120-Y124 PolarHBondContact O-N 3.42Å; D121-Y124 PolarHBondContact O-N 2.91Å; I122-Y124 VanDerWaalsContact C-N 3.28Å; I122-Y124 PolarHBondContact O-N 2.98Å; Y124-F126 PolarHBondContact O-N 3.23Å; Y124-F127 HydrophobicContact CD2-CD1 4.1Å; Y124-F127 HydrophobicContact CE2-CD1 4.41Å; Y124-F127 PolarHBondContact O-N 3.37Å; Y124-S128 VanDerWaalsContact O-CB 3.31Å; Y124-S128 WeakPolarHBondContact O-CB 3.44Å; Y124-S128 PolarHBondContact O-N 3.46Å; Y124-S128 PolarHBondContact O-OG 3.34Å; Y124-M205 HydrophobicContact CD1-CE 4.46Å; Y124-M205 HydrophobicContact CE1-CE 3.91Å; Y124-M205 HydrophobicContact CE1-SD 4.19Å |
| 125 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | W45 D121 I122 S128 A199 M205 V208 R209 F212 | W45-V125 HydrophobicContact CH2-CG1 3.99Å; D121-V125 WeakPolarHBondContact O-CG2 3.42Å; D121-V125 PolarHBondContact O-N 3.33Å; I122-V125 PolarHBondContact O-N 2.86Å; V125-S128 PolarHBondContact O-N 2.67Å; V125-S128 PolarHBondContact O-OG 2.92Å; V125-A199 HydrophobicContact CG2-CB 3.95Å; V125-M205 HydrophobicContact CG2-CE 4.09Å; V125-V208 HydrophobicContact CG1-CG1 4.36Å; V125-V208 HydrophobicContact CG2-CG1 3.73Å; V125-R209 HydrophobicContact CG1-CG 4.33Å; V125-F212 HydrophobicContact CB-CD1 4.34Å; V125-F212 HydrophobicContact CB-CE1 3.73Å; V125-F212 HydrophobicContact CB-CZ 3.81Å; V125-F212 HydrophobicContact CG1-CD1 3.58Å; V125-F212 HydrophobicContact CG1-CD2 4.23Å; V125-F212 HydrophobicContact CG1-CE1 3.47Å; V125-F212 VanDerWaalsContact CG1-CE1 3.47Å; V125-F212 HydrophobicContact CG1-CE2 4.14Å; V125-F212 HydrophobicContact CG1-CG 3.96Å; V125-F212 HydrophobicContact CG1-CZ 3.76Å; V125-F212 HydrophobicContact CG2-CE1 4.33Å; V125-F212 HydrophobicContact CG2-CE2 4.31Å; V125-F212 HydrophobicContact CG2-CZ 3.89Å |
| 126 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -49.2 | 174.9 | -78.3 | -78.1 | 0 | 0 | 0 | 112.1 | W45 I122 Y124 S128 V129 L130 S135 L138 L139 L142 F147 F212 L216 | W45-F126 AromaticContact CE3-CD1 3.91Å; W45-F126 HydrophobicContact CE3-CD1 3.91Å; W45-F126 HydrophobicContact CE3-CE1 4Å; W45-F126 AromaticContact CZ3-CD1 3.96Å; W45-F126 HydrophobicContact CZ3-CD1 3.96Å; W45-F126 HydrophobicContact CZ3-CE1 4.24Å; I122-F126 HydrophobicContact CG2-CD2 3.95Å; I122-F126 HydrophobicContact CG2-CE2 3.83Å; I122-F126 WeakPolarHBondContact O-CD2 3.45Å; I122-F126 PolarHBondContact O-N 2.81Å; Y124-F126 PolarHBondContact O-N 3.23Å; F126-S128 VanDerWaalsContact C-N 3.28Å; F126-S128 PolarHBondContact O-N 3.43Å; F126-V129 PolarHBondContact O-N 2.87Å; F126-V129 VanDerWaalsContact O-N 3.11Å; F126-L130 HydrophobicContact CD1-CD1 3.89Å; F126-L130 WeakPolarHBondContact O-CB 3.3Å; F126-L130 PolarHBondContact O-N 3.47Å; F126-S135 PolarHBondContact O-OG 3.11Å; F126-S135 VanDerWaalsContact O-OG 3.08Å; F126-L138 HydrophobicContact CE1-CB 4.5Å; F126-L138 HydrophobicContact CE1-CD2 4.38Å; F126-L139 HydrophobicContact CD2-CD2 3.54Å; F126-L139 HydrophobicContact CD2-CG 4.12Å; F126-L139 HydrophobicContact CE2-CD2 3.79Å; F126-L139 HydrophobicContact CG-CD2 4.27Å; F126-L139 HydrophobicContact CG-CG 4.37Å; F126-L142 HydrophobicContact CE1-CD1 4.01Å; F126-L142 HydrophobicContact CE2-CD1 4.18Å; F126-L142 HydrophobicContact CZ-CD1 3.43Å; F126-L142 VanDerWaalsContact CZ-CD1 3.43Å; F126-F147 HydrophobicContact CE2-CZ 4.49Å; F126-F212 HydrophobicContact CD2-CE1 4.2Å; F126-F212 HydrophobicContact CE2-CD1 4.13Å; F126-F212 AromaticContact CE2-CE1 3.79Å; F126-F212 HydrophobicContact CE2-CE1 3.79Å; F126-F212 HydrophobicContact CZ-CD1 4.23Å; F126-F212 HydrophobicContact CZ-CE1 4.35Å; F126-L216 HydrophobicContact CE1-CD1 4.27Å; F126-L216 HydrophobicContact CZ-CD1 4.48Å; F126-L216 HydrophobicContact CZ-CD2 4.22Å |
| 127 | F | 98.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 23 Ų | 23 | 15% | 0.149 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.8 | -44 | 179.3 | 164.5 | -105.6 | 0 | 0 | 0 | 111.9 | I95 I98 V99 L102 C123 Y124 V129 G131 E132 S135 | I95-F127 HydrophobicContact CB-CE1 4.45Å; I95-F127 HydrophobicContact CG1-CE1 4.17Å; I95-F127 HydrophobicContact CG2-CD1 4.41Å; I95-F127 HydrophobicContact CG2-CE1 3.88Å; I98-F127 HydrophobicContact CB-CE2 4.26Å; I98-F127 HydrophobicContact CB-CZ 4.27Å; I98-F127 HydrophobicContact CD1-CE2 4.3Å; I98-F127 HydrophobicContact CD1-CZ 4.02Å; I98-F127 HydrophobicContact CG2-CD2 3.73Å; I98-F127 HydrophobicContact CG2-CE2 3.36Å; I98-F127 HydrophobicContact CG2-CZ 3.85Å; V99-F127 HydrophobicContact CG2-CB 4.47Å; V99-F127 HydrophobicContact CG2-CD1 3.84Å; V99-F127 HydrophobicContact CG2-CE1 4.44Å; V99-F127 HydrophobicContact CG2-CG 4.23Å; L102-F127 HydrophobicContact CD2-CB 3.95Å; C123-F127 VanDerWaalsContact O-CB 3.26Å; C123-F127 WeakPolarHBondContact O-CB 3.46Å; C123-F127 PolarHBondContact O-N 3.35Å; Y124-F127 HydrophobicContact CD2-CD1 4.1Å; Y124-F127 HydrophobicContact CE2-CD1 4.41Å; Y124-F127 PolarHBondContact O-N 3.37Å; F127-V129 PolarHBondContact O-N 3.45Å; F127-V129 VanDerWaalsContact O-N 3.14Å; F127-G131 WeakPolarHBondContact O-CA 3.22Å; F127-G131 PolarHBondContact O-N 3.03Å; F127-E132 HydrophobicContact CD2-CB 4.44Å; F127-S135 VanDerWaalsContact CA-OG 3.22Å; F127-S135 WeakPolarHBondContact CA-OG 3.5Å; F127-S135 PolarHBondContact N-OG 3.42Å; F127-S135 VanDerWaalsContact N-OG 3.08Å |
| 128 | S | 97.9 | Very high | 97.2 | Very high | 33 Ų | 33 | 21.3 Ų | 21.3 | 23% | 0.231 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -19.3 | -177.9 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | Y124 V125 F126 R209 | Y124-S128 VanDerWaalsContact O-CB 3.31Å; Y124-S128 WeakPolarHBondContact O-CB 3.44Å; Y124-S128 PolarHBondContact O-N 3.46Å; Y124-S128 PolarHBondContact O-OG 3.34Å; V125-S128 PolarHBondContact O-N 2.67Å; V125-S128 PolarHBondContact O-OG 2.92Å; F126-S128 VanDerWaalsContact C-N 3.28Å; F126-S128 PolarHBondContact O-N 3.43Å; S128-R209 PolarHBondContact OG-NH2 3.5Å; S128-R209 VanDerWaalsContact OG-NH2 3.16Å |
| 129 | V | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 21.2 Ų | 21.2 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -106.4 | -43.3 | -179.5 | 178 | 0 | 0 | 0 | 0 | 111.4 | D38 R41 W45 F126 F127 R209 | D38-V129 HydrophobicContact CB-CG1 4.42Å; R41-V129 HydrophobicContact CB-CG1 3.6Å; W45-V129 HydrophobicContact CE3-CB 4.3Å; W45-V129 HydrophobicContact CE3-CG1 4.14Å; W45-V129 HydrophobicContact CH2-CB 4.38Å; W45-V129 HydrophobicContact CH2-CG2 3.85Å; W45-V129 HydrophobicContact CZ3-CB 3.85Å; W45-V129 HydrophobicContact CZ3-CG1 4.11Å; W45-V129 HydrophobicContact CZ3-CG2 3.82Å; F126-V129 PolarHBondContact O-N 2.87Å; F126-V129 VanDerWaalsContact O-N 3.11Å; F127-V129 PolarHBondContact O-N 3.45Å; F127-V129 VanDerWaalsContact O-N 3.14Å; V129-R209 HydrophobicContact CG2-CG 4.42Å |
| 130 | L | 97.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -102.3 | -21.5 | -167.7 | -56.2 | 179.5 | 0 | 0 | 0 | 113.7 | K42 W45 P46 F126 E134 L138 | K42-L130 HydrophobicContact CG-CD2 4.45Å; W45-L130 HydrophobicContact CE3-CD1 4.27Å; W45-L130 HydrophobicContact CE3-CD2 4.43Å; W45-L130 HydrophobicContact CE3-CG 4.27Å; P46-L130 HydrophobicContact CG-CD2 4.23Å; F126-L130 HydrophobicContact CD1-CD1 3.89Å; F126-L130 WeakPolarHBondContact O-CB 3.3Å; F126-L130 PolarHBondContact O-N 3.47Å; L130-E134 HydrophobicContact CB-CB 3.82Å; L130-L138 HydrophobicContact CD1-CB 4.45Å; L130-L138 HydrophobicContact CD1-CD2 3.47Å; L130-L138 VanDerWaalsContact CD1-CD2 3.47Å; L130-L138 HydrophobicContact CD1-CG 4.35Å |
| 131 | G | 96.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 27 Ų | 27 | 27% | 0.268 | 13% | 0.134 | S | C | . | . | trans | 78.9 | 175.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F127 S135 | F127-G131 WeakPolarHBondContact O-CA 3.22Å; F127-G131 PolarHBondContact O-N 3.03Å; G131-S135 WeakPolarHBondContact O-CB 3.18Å; G131-S135 PolarHBondContact O-N 3.04Å; G131-S135 VanDerWaalsContact O-N 3.17Å; G131-S135 PolarHBondContact O-OG 3.48Å | ||
| 132 | E | 95 | Very high | 97 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67 | -50.5 | -166 | -177.1 | 176.9 | -179.8 | 0 | 0 | 114.1 | I98 R101 F127 S135 R136 | I98-E132 HydrophobicContact CG2-CB 4.09Å; I98-E132 HydrophobicContact CG2-CG 4.14Å; R101-E132 IonicContact CZ-OE1 2.75Å; R101-E132 IonicContact CZ-OE2 2.71Å; R101-E132 IonicContact NE-OE1 3.13Å; R101-E132 PolarHBondContact NE-OE1 3.25Å; R101-E132 IonicContact NE-OE2 3.76Å; R101-E132 VanDerWaalsContact NH2-CD 3.34Å; R101-E132 IonicContact NH2-OE1 3.7Å; R101-E132 PolarHBondContact NH2-OE1 3.33Å; R101-E132 IonicContact NH2-OE2 2.69Å; R101-E132 PolarHBondContact NH2-OE2 2.88Å; F127-E132 HydrophobicContact CD2-CB 4.44Å; E132-S135 PolarHBondContact O-N 3.21Å; E132-R136 PolarHBondContact O-N 2.92Å |
| 133 | K | 93.4 | Very high | 96.9 | Very high | 112 Ų | 112 | 27.4 Ų | 27.4 | 49% | 0.487 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.3 | -49.5 | -171.9 | -177.6 | 178.7 | -178.5 | 175.4 | 0 | 111.5 | E54 S135 R136 M137 | E54-K133 VanDerWaalsContact OE1-CE 3.31Å; E54-K133 WeakPolarHBondContact OE1-CE 3.15Å; E54-K133 IonicContact OE1-NZ 2.65Å; E54-K133 PolarHBondContact OE1-NZ 3.34Å; K133-S135 VanDerWaalsContact C-N 3.33Å; K133-S135 PolarHBondContact O-N 2.93Å; K133-R136 PolarHBondContact O-N 3.11Å; K133-M137 PolarHBondContact O-N 2.75Å |
| 134 | E | 94.9 | Very high | 96.8 | Very high | 84 Ų | 84 | 31.4 Ų | 31.4 | 39% | 0.393 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 178.4 | -71.1 | 75.4 | -172.8 | 0 | 0 | 111.2 | L130 M137 L138 | L130-E134 HydrophobicContact CB-CB 3.82Å; E134-M137 PolarHBondContact O-N 3.01Å; E134-L138 WeakPolarHBondContact O-CD1 3.22Å; E134-L138 PolarHBondContact O-N 3.3Å |
| 135 | S | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 175.1 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | F126 F127 G131 E132 K133 M137 L138 L139 | F126-S135 PolarHBondContact O-OG 3.11Å; F126-S135 VanDerWaalsContact O-OG 3.08Å; F127-S135 VanDerWaalsContact CA-OG 3.22Å; F127-S135 WeakPolarHBondContact CA-OG 3.5Å; F127-S135 PolarHBondContact N-OG 3.42Å; F127-S135 VanDerWaalsContact N-OG 3.08Å; G131-S135 WeakPolarHBondContact O-CB 3.18Å; G131-S135 PolarHBondContact O-N 3.04Å; G131-S135 VanDerWaalsContact O-N 3.17Å; G131-S135 PolarHBondContact O-OG 3.48Å; E132-S135 PolarHBondContact O-N 3.21Å; K133-S135 VanDerWaalsContact C-N 3.33Å; K133-S135 PolarHBondContact O-N 2.93Å; S135-M137 VanDerWaalsContact C-N 3.29Å; S135-M137 PolarHBondContact O-N 2.95Å; S135-L138 PolarHBondContact O-N 3.41Å; S135-L139 WeakPolarHBondContact O-CB 3.5Å; S135-L139 WeakPolarHBondContact O-CD1 3.35Å; S135-L139 VanDerWaalsContact O-CG 3.22Å; S135-L139 WeakPolarHBondContact O-CG 3.27Å; S135-L139 PolarHBondContact O-N 3.17Å |
| 136 | R | 96.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 178.6 | -173.9 | -179 | 162.8 | -148.3 | -13.6 | 111.4 | L55 P56 L102 V106 D109 E132 K133 N140 | L55-R136 HydrophobicContact CD1-CG 3.89Å; P56-R136 PolarHBondContact O-NH1 2.94Å; P56-R136 PolarHBondContact O-NH2 2.88Å; P56-R136 VanDerWaalsContact O-NH2 3.09Å; L102-R136 HydrophobicContact CD1-CB 3.64Å; L102-R136 HydrophobicContact CD1-CG 4.37Å; V106-R136 HydrophobicContact CG2-CG 4.15Å; D109-R136 IonicContact OD1-CZ 2.88Å; D109-R136 IonicContact OD1-NE 3.36Å; D109-R136 IonicContact OD1-NH2 3.09Å; D109-R136 PolarHBondContact OD1-NH2 3.29Å; D109-R136 IonicContact OD2-CZ 3.77Å; D109-R136 IonicContact OD2-NE 3.66Å; D109-R136 PolarHBondContact OD2-NE 3.46Å; D109-R136 IonicContact OD2-NH2 3.72Å; D109-R136 PolarHBondContact OD2-NH2 3.33Å; E132-R136 PolarHBondContact O-N 2.92Å; K133-R136 PolarHBondContact O-N 3.11Å; R136-N140 WeakPolarHBondContact O-CB 3.25Å; R136-N140 PolarHBondContact O-N 3.04Å; R136-N140 VanDerWaalsContact O-N 3.09Å; R136-N140 PolarHBondContact O-ND2 2.86Å |
| 137 | M | 95.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 18% | 0.177 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 177.3 | 177.9 | 176.7 | 60.9 | 0 | 0 | 112 | G51 R53 K133 E134 S135 K141 | G51-M137 VanDerWaalsContact C-SD 3.51Å; G51-M137 WeakPolarHBondContact O-CE 3.38Å; R53-M137 VanDerWaalsContact O-CG 3.31Å; R53-M137 WeakPolarHBondContact O-CG 3.32Å; R53-M137 VanDerWaalsContact O-SD 3.32Å; K133-M137 PolarHBondContact O-N 2.75Å; E134-M137 PolarHBondContact O-N 3.01Å; S135-M137 VanDerWaalsContact C-N 3.29Å; S135-M137 PolarHBondContact O-N 2.95Å; M137-K141 PolarHBondContact O-N 3.07Å |
| 138 | L | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -43.5 | -179.5 | -94.7 | 66 | 0 | 0 | 0 | 112.2 | W45 P46 V49 F126 L130 E134 S135 N140 K141 L142 | W45-L138 HydrophobicContact CB-CD2 4.1Å; P46-L138 HydrophobicContact CB-CD1 4.08Å; P46-L138 HydrophobicContact CB-CD2 4.43Å; P46-L138 HydrophobicContact CG-CD1 4.27Å; P46-L138 HydrophobicContact CG-CD2 4.16Å; V49-L138 HydrophobicContact CB-CD2 4.26Å; V49-L138 HydrophobicContact CB-CG 4.02Å; V49-L138 HydrophobicContact CG1-CB 4.38Å; V49-L138 HydrophobicContact CG1-CG 3.97Å; V49-L138 HydrophobicContact CG2-CD2 4.11Å; V49-L138 HydrophobicContact CG2-CG 4.29Å; F126-L138 HydrophobicContact CE1-CB 4.5Å; F126-L138 HydrophobicContact CE1-CD2 4.38Å; L130-L138 HydrophobicContact CD1-CB 4.45Å; L130-L138 HydrophobicContact CD1-CD2 3.47Å; L130-L138 VanDerWaalsContact CD1-CD2 3.47Å; L130-L138 HydrophobicContact CD1-CG 4.35Å; E134-L138 WeakPolarHBondContact O-CD1 3.22Å; E134-L138 PolarHBondContact O-N 3.3Å; S135-L138 PolarHBondContact O-N 3.41Å; L138-N140 PolarHBondContact O-N 3.25Å; L138-K141 WeakPolarHBondContact O-CB 3.34Å; L138-K141 PolarHBondContact O-N 3.43Å; L138-K141 VanDerWaalsContact O-N 3.11Å; L138-L142 WeakPolarHBondContact O-CG 3.22Å; L138-L142 PolarHBondContact O-N 3.46Å |
| 139 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 177.7 | -73.9 | 165.1 | 0 | 0 | 0 | 111.4 | L102 V106 F119 I122 C123 F126 S135 K141 L142 I143 F147 | L102-L139 HydrophobicContact CD1-CD1 4.22Å; L102-L139 HydrophobicContact CD2-CD1 4.23Å; L102-L139 HydrophobicContact CG-CD1 4.27Å; V106-L139 HydrophobicContact CG2-CB 4.03Å; V106-L139 HydrophobicContact CG2-CD1 4.12Å; F119-L139 HydrophobicContact CZ-CD2 4.42Å; I122-L139 HydrophobicContact CG2-CD2 3.97Å; C123-L139 HydrophobicContact CB-CD1 4.28Å; F126-L139 HydrophobicContact CD2-CD2 3.54Å; F126-L139 HydrophobicContact CD2-CG 4.12Å; F126-L139 HydrophobicContact CE2-CD2 3.79Å; F126-L139 HydrophobicContact CG-CD2 4.27Å; F126-L139 HydrophobicContact CG-CG 4.37Å; S135-L139 WeakPolarHBondContact O-CB 3.5Å; S135-L139 WeakPolarHBondContact O-CD1 3.35Å; S135-L139 VanDerWaalsContact O-CG 3.22Å; S135-L139 WeakPolarHBondContact O-CG 3.27Å; S135-L139 PolarHBondContact O-N 3.17Å; L139-K141 PolarHBondContact O-N 3.44Å; L139-L142 PolarHBondContact O-N 2.89Å; L139-L142 VanDerWaalsContact O-N 3.14Å; L139-I143 WeakPolarHBondContact O-CG1 3.26Å; L139-I143 PolarHBondContact O-N 2.68Å; L139-F147 HydrophobicContact CD2-CE2 4.22Å |
| 140 | N | 96 | Very high | 96.1 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -35 | 175.5 | -89.6 | -76.4 | 0 | 0 | 0 | 112.8 | L55 D109 N110 R136 L138 P144 | L55-N140 HydrophobicContact CD1-CB 4.12Å; L55-N140 WeakPolarHBondContact CD1-ND2 3.32Å; D109-N140 WeakPolarHBondContact CB-OD1 3.49Å; D109-N140 PolarHBondContact OD2-ND2 3.19Å; N110-N140 PolarHBondContact ND2-OD1 3.49Å; R136-N140 WeakPolarHBondContact O-CB 3.25Å; R136-N140 PolarHBondContact O-N 3.04Å; R136-N140 VanDerWaalsContact O-N 3.09Å; R136-N140 PolarHBondContact O-ND2 2.86Å; L138-N140 PolarHBondContact O-N 3.25Å; N140-P144 WeakPolarHBondContact O-CD 3.3Å |
| 141 | K | 96.2 | Very high | 96.1 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 46% | 0.461 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -73.1 | -34 | 177.4 | -178.3 | 56.2 | 178.3 | 170.6 | 0 | 112.6 | V49 M137 L138 L139 | V49-K141 HydrophobicContact CG1-CB 3.77Å; V49-K141 HydrophobicContact CG1-CG 3.55Å; V49-K141 WeakPolarHBondContact O-CE 3.47Å; V49-K141 VanDerWaalsContact O-CG 3.27Å; V49-K141 WeakPolarHBondContact O-CG 3.3Å; M137-K141 PolarHBondContact O-N 3.07Å; L138-K141 WeakPolarHBondContact O-CB 3.34Å; L138-K141 PolarHBondContact O-N 3.43Å; L138-K141 VanDerWaalsContact O-N 3.11Å; L139-K141 PolarHBondContact O-N 3.44Å |
| 142 | L | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.2 | -31.5 | 179.7 | -72.4 | 168.8 | 0 | 0 | 0 | 113 | V49 F126 L138 L139 T145 H146 F147 L216 | V49-L142 HydrophobicContact CG1-CD1 4.47Å; V49-L142 HydrophobicContact CG1-CD2 4.08Å; V49-L142 HydrophobicContact CG1-CG 3.85Å; V49-L142 HydrophobicContact CG2-CD1 4.21Å; V49-L142 HydrophobicContact CG2-CD2 4.02Å; V49-L142 HydrophobicContact CG2-CG 4.22Å; F126-L142 HydrophobicContact CE1-CD1 4.01Å; F126-L142 HydrophobicContact CE2-CD1 4.18Å; F126-L142 HydrophobicContact CZ-CD1 3.43Å; F126-L142 VanDerWaalsContact CZ-CD1 3.43Å; L138-L142 WeakPolarHBondContact O-CG 3.22Å; L138-L142 PolarHBondContact O-N 3.46Å; L139-L142 PolarHBondContact O-N 2.89Å; L139-L142 VanDerWaalsContact O-N 3.14Å; L142-T145 PolarHBondContact O-N 3.46Å; L142-T145 VanDerWaalsContact O-N 3.1Å; L142-T145 PolarHBondContact O-OG1 3.01Å; L142-H146 HydrophobicContact CB-CB 4.35Å; L142-H146 WeakPolarHBondContact CD2-ND1 3.41Å; L142-H146 WeakPolarHBondContact O-CB 3.47Å; L142-H146 PolarHBondContact O-N 2.91Å; L142-F147 HydrophobicContact CB-CD2 3.94Å; L142-F147 HydrophobicContact CB-CE2 3.56Å; L142-F147 HydrophobicContact CD1-CE2 4.08Å; L142-F147 HydrophobicContact CG-CE2 4.45Å; L142-L216 HydrophobicContact CD1-CD2 3.72Å; L142-L216 HydrophobicContact CD2-CD2 3.88Å; L142-L216 HydrophobicContact CG-CD2 4.45Å |
| 143 | I | 96.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -45.5 | -53.9 | -175.1 | -90.1 | 173 | 0 | 0 | 0 | 113.4 | V106 L113 L139 T145 F147 S148 M151 | V106-I143 HydrophobicContact CG1-CD1 3.24Å; L113-I143 HydrophobicContact CD1-CD1 4.36Å; L113-I143 HydrophobicContact CD1-CG2 3.28Å; L139-I143 WeakPolarHBondContact O-CG1 3.26Å; L139-I143 PolarHBondContact O-N 2.68Å; I143-T145 PolarHBondContact O-N 3.49Å; I143-T145 VanDerWaalsContact O-N 3.13Å; I143-F147 HydrophobicContact CG1-CB 4.21Å; I143-F147 HydrophobicContact CG1-CD2 4.18Å; I143-F147 PolarHBondContact O-N 2.86Å; I143-F147 VanDerWaalsContact O-N 3.12Å; I143-S148 VanDerWaalsContact O-CB 3.28Å; I143-S148 WeakPolarHBondContact O-CB 3.2Å; I143-S148 PolarHBondContact O-N 3Å; I143-M151 HydrophobicContact CD1-SD 4.11Å; I143-M151 HydrophobicContact CG1-SD 4.07Å |
| 144 | P | 95.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 55% | 0.545 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -58.4 | -35.1 | -173.5 | -27.3 | 36.3 | 0 | 0 | 0 | 113.4 | N140 S148 | N140-P144 WeakPolarHBondContact O-CD 3.3Å; P144-S148 PolarHBondContact O-OG 3.39Å |
| 145 | T | 94.9 | Very high | 96 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 56% | 0.564 | 21% | 0.207 | S | C | * | . | I | π-helix | trans | -102.2 | -25.6 | -172.3 | 49 | 0 | 0 | 0 | 0 | 114.4 | L142 I143 | L142-T145 PolarHBondContact O-N 3.46Å; L142-T145 VanDerWaalsContact O-N 3.1Å; L142-T145 PolarHBondContact O-OG1 3.01Å; I143-T145 PolarHBondContact O-N 3.49Å; I143-T145 VanDerWaalsContact O-N 3.13Å |
| 146 | H | 96.7 | Very high | 95.8 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -116.3 | -34.3 | -170.4 | -69.4 | 77.1 | 0 | 0 | 0 | 114 | L142 F150 W197 | L142-H146 HydrophobicContact CB-CB 4.35Å; L142-H146 WeakPolarHBondContact CD2-ND1 3.41Å; L142-H146 WeakPolarHBondContact O-CB 3.47Å; L142-H146 PolarHBondContact O-N 2.91Å; H146-F150 VanDerWaalsContact O-CE2 3.26Å; H146-F150 WeakPolarHBondContact O-CE2 3.37Å; H146-W197 HydrophobicContact CB-CH2 4.36Å; H146-W197 HydrophobicContact CB-CZ2 3.86Å; H146-W197 AromaticContact CD2-CH2 3.68Å; H146-W197 AromaticContact CD2-CZ2 3.62Å |
| 147 | F | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -119.3 | -21.3 | -169.2 | -54.5 | -62.6 | 0 | 0 | 0 | 114 | F119 I122 F126 L139 L142 I143 L149 F150 M151 W197 | F119-F147 HydrophobicContact CE2-CD2 4.42Å; F119-F147 HydrophobicContact CE2-CG 4.27Å; I122-F147 HydrophobicContact CD1-CE1 4.43Å; I122-F147 HydrophobicContact CG1-CE1 4.39Å; I122-F147 HydrophobicContact CG2-CE1 3.93Å; I122-F147 HydrophobicContact CG2-CE2 4.42Å; I122-F147 HydrophobicContact CG2-CZ 3.7Å; F126-F147 HydrophobicContact CE2-CZ 4.49Å; L139-F147 HydrophobicContact CD2-CE2 4.22Å; L142-F147 HydrophobicContact CB-CD2 3.94Å; L142-F147 HydrophobicContact CB-CE2 3.56Å; L142-F147 HydrophobicContact CD1-CE2 4.08Å; L142-F147 HydrophobicContact CG-CE2 4.45Å; I143-F147 HydrophobicContact CG1-CB 4.21Å; I143-F147 HydrophobicContact CG1-CD2 4.18Å; I143-F147 PolarHBondContact O-N 2.86Å; I143-F147 VanDerWaalsContact O-N 3.12Å; F147-L149 PolarHBondContact O-N 3.34Å; F147-L149 VanDerWaalsContact O-N 3.08Å; F147-F150 HydrophobicContact CD1-CD2 4.35Å; F147-F150 PolarHBondContact O-N 2.85Å; F147-M151 HydrophobicContact CB-SD 4.13Å; F147-M151 WeakPolarHBondContact O-CG 3.38Å; F147-M151 PolarHBondContact O-N 2.82Å; F147-M151 VanDerWaalsContact O-N 3.08Å; F147-W197 HydrophobicContact CD1-CZ2 4.41Å; F147-W197 HydrophobicContact CE1-CD2 4.07Å; F147-W197 AromaticContact CE1-CE2 3.41Å; F147-W197 VanDerWaalsContact CE1-CE2 3.41Å; F147-W197 HydrophobicContact CE1-CH2 4.13Å; F147-W197 AromaticContact CE1-CZ2 3.48Å; F147-W197 HydrophobicContact CE1-CZ2 3.48Å; F147-W197 VanDerWaalsContact CE1-CZ2 3.48Å; F147-W197 AromaticContact CE1-NE1 3.56Å; F147-W197 HydrophobicContact CZ-CD2 4.36Å; F147-W197 AromaticContact CZ-CE2 3.85Å; F147-W197 HydrophobicContact CZ-CE3 4.48Å; F147-W197 AromaticContact CZ-CH2 3.71Å; F147-W197 HydrophobicContact CZ-CH2 3.71Å; F147-W197 AromaticContact CZ-CZ2 3.54Å; F147-W197 HydrophobicContact CZ-CZ2 3.54Å; F147-W197 HydrophobicContact CZ-CZ3 4.17Å |
| 148 | S | 96.1 | Very high | 95.7 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -35.4 | -177.1 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | I143 P144 M151 Q152 | I143-S148 VanDerWaalsContact O-CB 3.28Å; I143-S148 WeakPolarHBondContact O-CB 3.2Å; I143-S148 PolarHBondContact O-N 3Å; P144-S148 PolarHBondContact O-OG 3.39Å; S148-M151 PolarHBondContact O-N 3.19Å; S148-Q152 PolarHBondContact O-NE2 3.37Å |
| 149 | L | 95.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -41 | 176.2 | -170 | 147.9 | 0 | 0 | 0 | 112.6 | F147 Q152 V157 Y161 | F147-L149 PolarHBondContact O-N 3.34Å; F147-L149 VanDerWaalsContact O-N 3.08Å; L149-Q152 WeakPolarHBondContact O-CG 3.22Å; L149-V157 HydrophobicContact CD1-CG1 4.17Å; L149-V157 HydrophobicContact CD2-CG1 4.36Å; L149-V157 HydrophobicContact CG-CG1 3.86Å; L149-Y161 HydrophobicContact CD1-CD2 4.07Å; L149-Y161 HydrophobicContact CD1-CG 4.1Å; L149-Y161 HydrophobicContact CD2-CD1 4.39Å; L149-Y161 HydrophobicContact CD2-CG 4.08Å |
| 150 | F | 96.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.022 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21 | 179.8 | -46.6 | -45.7 | 0 | 0 | 0 | 112.7 | Y116 H146 F147 Q152 T158 Y161 I194 I195 L223 | Y116-F150 HydrophobicContact CD1-CB 3.92Å; Y116-F150 VanDerWaalsContact CD1-O 3.3Å; Y116-F150 WeakPolarHBondContact CD1-O 3.45Å; Y116-F150 HydrophobicContact CE1-CB 3.58Å; Y116-F150 HydrophobicContact CE2-CB 4.48Å; Y116-F150 HydrophobicContact CG-CB 4.49Å; H146-F150 VanDerWaalsContact O-CE2 3.26Å; H146-F150 WeakPolarHBondContact O-CE2 3.37Å; F147-F150 HydrophobicContact CD1-CD2 4.35Å; F147-F150 PolarHBondContact O-N 2.85Å; F150-Q152 VanDerWaalsContact C-N 3.32Å; F150-T158 HydrophobicContact CD1-CG2 3.72Å; F150-T158 HydrophobicContact CE1-CG2 4.11Å; F150-Y161 HydrophobicContact CE1-CD1 4.06Å; F150-Y161 HydrophobicContact CE1-CE1 4.23Å; F150-Y161 HydrophobicContact CZ-CE1 4.25Å; F150-I194 HydrophobicContact CE1-CG2 3.54Å; F150-I194 HydrophobicContact CZ-CG2 3.56Å; F150-I195 HydrophobicContact CD1-CG2 4.23Å; F150-I195 HydrophobicContact CG-CG2 4.41Å; F150-L223 HydrophobicContact CZ-CD1 4.4Å |
| 151 | M | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 18.4 | -178.8 | -59 | -179.3 | 84.1 | 0 | 0 | 113.4 | L107 L113 H114 Y116 F119 I143 F147 S148 | L107-M151 HydrophobicContact CD2-CE 3.51Å; L113-M151 HydrophobicContact CB-CB 4Å; L113-M151 HydrophobicContact CB-CE 4.12Å; L113-M151 HydrophobicContact CB-SD 4.49Å; L113-M151 HydrophobicContact CD1-CB 4.31Å; L113-M151 HydrophobicContact CD1-CE 4.31Å; L113-M151 HydrophobicContact CD1-SD 3.85Å; L113-M151 HydrophobicContact CD2-CB 4.19Å; L113-M151 HydrophobicContact CG-CB 4.4Å; H114-M151 PolarHBondContact N-O 2.93Å; H114-M151 WeakPolarHBondContact O-CA 3.45Å; H114-M151 WeakPolarHBondContact O-CB 3.28Å; Y116-M151 HydrophobicContact CD1-CG 3.72Å; Y116-M151 HydrophobicContact CE1-CG 3.65Å; F119-M151 HydrophobicContact CD1-CE 4.36Å; F119-M151 HydrophobicContact CE1-CE 4.12Å; F119-M151 HydrophobicContact CE2-SD 4.41Å; F119-M151 HydrophobicContact CZ-CE 4.32Å; F119-M151 HydrophobicContact CZ-SD 4.4Å; I143-M151 HydrophobicContact CD1-SD 4.11Å; I143-M151 HydrophobicContact CG1-SD 4.07Å; F147-M151 HydrophobicContact CB-SD 4.13Å; F147-M151 WeakPolarHBondContact O-CG 3.38Å; F147-M151 PolarHBondContact O-N 2.82Å; F147-M151 VanDerWaalsContact O-N 3.08Å; S148-M151 PolarHBondContact O-N 3.19Å |
| 152 | Q | 96.7 | Very high | 95.6 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -71.4 | 162.6 | 172.7 | -64.6 | -58.2 | -48.1 | 0 | 0 | 111.3 | S148 L149 F150 S154 | S148-Q152 PolarHBondContact O-NE2 3.37Å; L149-Q152 WeakPolarHBondContact O-CG 3.22Å; F150-Q152 VanDerWaalsContact C-N 3.32Å; Q152-S154 PolarHBondContact O-N 2.77Å |
| 153 | K | 94.7 | Very high | 95.6 | Very high | 176 Ų | 176 | 39.8 Ų | 39.8 | 77% | 0.765 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -60.3 | -26.6 | 179.6 | -175 | 174.3 | -179.7 | 177.5 | 0 | 113.5 | ||
| 154 | S | 93.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 40.1 Ų | 40.1 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -131.1 | 157.4 | 172.7 | 74.6 | 0 | 0 | 0 | 0 | 110.9 | Q152 D156 | Q152-S154 PolarHBondContact O-N 2.77Å; S154-D156 WeakPolarHBondContact CB-OD2 3.42Å; S154-D156 PolarHBondContact O-N 3.29Å; S154-D156 PolarHBondContact OG-N 3.37Å; S154-D156 PolarHBondContact OG-OD2 3.02Å |
| 155 | M | 91.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 25% | 0.251 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -0.4 | 175.2 | -67.4 | -60.9 | -71.6 | 0 | 0 | 113.3 | V157 T158 L159 I195 | M155-V157 VanDerWaalsContact C-N 3.3Å; M155-V157 PolarHBondContact O-N 3.48Å; M155-T158 HydrophobicContact CE-CG2 3.65Å; M155-T158 WeakPolarHBondContact O-CA 3.38Å; M155-T158 VanDerWaalsContact O-CB 3.29Å; M155-T158 WeakPolarHBondContact O-CB 3.28Å; M155-T158 PolarHBondContact O-N 3.32Å; M155-L159 WeakPolarHBondContact O-CG 3.37Å; M155-L159 PolarHBondContact O-N 3.26Å; M155-I195 HydrophobicContact CE-CG2 4.07Å |
| 156 | D | 93.1 | Very high | 96 | Very high | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -57.4 | -43.6 | -173.5 | -67 | -60.1 | 0 | 0 | 0 | 111.8 | S154 T158 L159 E160 K295 | S154-D156 WeakPolarHBondContact CB-OD2 3.42Å; S154-D156 PolarHBondContact O-N 3.29Å; S154-D156 PolarHBondContact OG-N 3.37Å; S154-D156 PolarHBondContact OG-OD2 3.02Å; D156-T158 VanDerWaalsContact C-N 3.32Å; D156-T158 PolarHBondContact O-N 3.46Å; D156-L159 PolarHBondContact O-N 3.03Å; D156-E160 WeakPolarHBondContact O-CG 3.46Å; D156-E160 PolarHBondContact O-N 3.43Å; D156-K295 IonicContact OD1-NZ 3.11Å; D156-K295 PolarHBondContact OD1-NZ 2.75Å |
| 157 | V | 94.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 35% | 0.352 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.6 | -34.8 | 178.1 | -172 | 0 | 0 | 0 | 0 | 111.2 | L149 M155 E160 Y161 | L149-V157 HydrophobicContact CD1-CG1 4.17Å; L149-V157 HydrophobicContact CD2-CG1 4.36Å; L149-V157 HydrophobicContact CG-CG1 3.86Å; M155-V157 VanDerWaalsContact C-N 3.3Å; M155-V157 PolarHBondContact O-N 3.48Å; V157-E160 PolarHBondContact O-N 3.3Å; V157-Y161 WeakPolarHBondContact O-CB 3.38Å; V157-Y161 PolarHBondContact O-N 3.32Å |
| 158 | T | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 172.3 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | F150 M155 D156 E160 Y161 M162 I195 | F150-T158 HydrophobicContact CD1-CG2 3.72Å; F150-T158 HydrophobicContact CE1-CG2 4.11Å; M155-T158 HydrophobicContact CE-CG2 3.65Å; M155-T158 WeakPolarHBondContact O-CA 3.38Å; M155-T158 VanDerWaalsContact O-CB 3.29Å; M155-T158 WeakPolarHBondContact O-CB 3.28Å; M155-T158 PolarHBondContact O-N 3.32Å; D156-T158 VanDerWaalsContact C-N 3.32Å; D156-T158 PolarHBondContact O-N 3.46Å; T158-E160 VanDerWaalsContact C-N 3.31Å; T158-E160 PolarHBondContact O-N 3.34Å; T158-Y161 WeakPolarHBondContact O-CB 3.3Å; T158-Y161 PolarHBondContact O-N 3.27Å; T158-M162 HydrophobicContact CG2-SD 4.22Å; T158-M162 WeakPolarHBondContact O-CG 3.33Å; T158-M162 PolarHBondContact O-N 3.41Å; T158-I195 HydrophobicContact CG2-CG2 3.91Å |
| 159 | L | 94.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 178.4 | -62.5 | -176.9 | 0 | 0 | 0 | 112.3 | M155 D156 M162 Q163 D188 I191 Y339 | M155-L159 WeakPolarHBondContact O-CG 3.37Å; M155-L159 PolarHBondContact O-N 3.26Å; D156-L159 PolarHBondContact O-N 3.03Å; L159-M162 HydrophobicContact CD2-SD 4.3Å; L159-M162 PolarHBondContact O-N 2.88Å; L159-Q163 PolarHBondContact O-N 3.3Å; L159-D188 VanDerWaalsContact CD2-OD1 3.22Å; L159-D188 WeakPolarHBondContact CD2-OD1 3.46Å; L159-I191 HydrophobicContact CD2-CD1 3.85Å; L159-I191 HydrophobicContact CD2-CG1 4.19Å; L159-Y339 HydrophobicContact CD1-CE2 4.14Å; L159-Y339 WeakPolarHBondContact CD1-OH 3.41Å |
| 160 | E | 96.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -47.8 | 171.7 | -71.8 | 175.7 | 171.6 | 0 | 0 | 111.4 | D156 V157 T158 M162 Q163 I288 Y291 R292 | D156-E160 WeakPolarHBondContact O-CG 3.46Å; D156-E160 PolarHBondContact O-N 3.43Å; V157-E160 PolarHBondContact O-N 3.3Å; T158-E160 VanDerWaalsContact C-N 3.31Å; T158-E160 PolarHBondContact O-N 3.34Å; E160-M162 PolarHBondContact O-N 2.93Å; E160-Q163 WeakPolarHBondContact O-CB 3.3Å; E160-Q163 WeakPolarHBondContact O-CG 3.38Å; E160-Q163 PolarHBondContact O-N 2.97Å; E160-I288 HydrophobicContact CB-CD1 4.34Å; E160-I288 HydrophobicContact CB-CG1 4.22Å; E160-I288 HydrophobicContact CB-CG2 4.08Å; E160-I288 HydrophobicContact CG-CG2 4.08Å; E160-I288 WeakPolarHBondContact O-CD1 3.42Å; E160-I288 VanDerWaalsContact O-CG1 3.24Å; E160-I288 WeakPolarHBondContact O-CG1 3.33Å; E160-Y291 HydrophobicContact CG-CD1 4.25Å; E160-Y291 HydrophobicContact CG-CE1 4.28Å; E160-R292 VanDerWaalsContact CD-NE 3.31Å; E160-R292 WeakPolarHBondContact OE1-CG 3.47Å; E160-R292 IonicContact OE1-CZ 3.34Å; E160-R292 IonicContact OE1-NE 3.77Å; E160-R292 PolarHBondContact OE1-NE 3.04Å; E160-R292 IonicContact OE1-NH2 2.8Å; E160-R292 PolarHBondContact OE1-NH2 3.43Å; E160-R292 IonicContact OE2-CZ 3.52Å; E160-R292 IonicContact OE2-NE 2.73Å; E160-R292 PolarHBondContact OE2-NE 3.03Å; E160-R292 IonicContact OE2-NH2 3.86Å; E160-R292 PolarHBondContact OE2-NH2 2.91Å |
| 161 | Y | 97 | Very high | 96.4 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.4 | -38.8 | 174.2 | 172 | -103.4 | 0 | 0 | 0 | 111.9 | L149 F150 V157 T158 Q163 L164 I194 V224 | L149-Y161 HydrophobicContact CD1-CD2 4.07Å; L149-Y161 HydrophobicContact CD1-CG 4.1Å; L149-Y161 HydrophobicContact CD2-CD1 4.39Å; L149-Y161 HydrophobicContact CD2-CG 4.08Å; F150-Y161 HydrophobicContact CE1-CD1 4.06Å; F150-Y161 HydrophobicContact CE1-CE1 4.23Å; F150-Y161 HydrophobicContact CZ-CE1 4.25Å; V157-Y161 WeakPolarHBondContact O-CB 3.38Å; V157-Y161 PolarHBondContact O-N 3.32Å; T158-Y161 WeakPolarHBondContact O-CB 3.3Å; T158-Y161 PolarHBondContact O-N 3.27Å; Y161-Q163 PolarHBondContact O-N 3.31Å; Y161-L164 HydrophobicContact CD2-CD2 4.17Å; Y161-L164 HydrophobicContact CE2-CD2 4.09Å; Y161-L164 VanDerWaalsContact O-CB 3.31Å; Y161-L164 WeakPolarHBondContact O-CB 3.37Å; Y161-L164 WeakPolarHBondContact O-CD1 3.46Å; Y161-L164 PolarHBondContact O-N 2.89Å; Y161-L164 VanDerWaalsContact O-N 3.09Å; Y161-I194 HydrophobicContact CD1-CG2 4.1Å; Y161-I194 HydrophobicContact CE1-CG2 3.77Å; Y161-V224 HydrophobicContact CE1-CG2 4.12Å; Y161-V224 HydrophobicContact CE2-CG2 4.32Å |
| 162 | M | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.5 | 177.5 | -70.9 | 175.5 | 71.7 | 0 | 0 | 114 | T158 L159 E160 L164 I165 P187 A190 I191 I194 | T158-M162 HydrophobicContact CG2-SD 4.22Å; T158-M162 WeakPolarHBondContact O-CG 3.33Å; T158-M162 PolarHBondContact O-N 3.41Å; L159-M162 HydrophobicContact CD2-SD 4.3Å; L159-M162 PolarHBondContact O-N 2.88Å; E160-M162 PolarHBondContact O-N 2.93Å; M162-L164 PolarHBondContact O-N 3.08Å; M162-I165 HydrophobicContact CB-CD1 4.42Å; M162-I165 HydrophobicContact CE-CD1 4.39Å; M162-I165 VanDerWaalsContact O-CB 3.28Å; M162-I165 WeakPolarHBondContact O-CB 3.32Å; M162-I165 PolarHBondContact O-N 2.79Å; M162-P187 HydrophobicContact CB-CB 4.04Å; M162-P187 HydrophobicContact CB-CG 3.85Å; M162-P187 HydrophobicContact CE-CB 4.3Å; M162-P187 WeakPolarHBondContact CE-O 3.37Å; M162-A190 VanDerWaalsContact CE-C 3.45Å; M162-A190 HydrophobicContact CE-CB 3.82Å; M162-I191 HydrophobicContact CE-CB 4.35Å; M162-I191 HydrophobicContact CE-CG1 3.73Å; M162-I191 VanDerWaalsContact CE-N 3.32Å; M162-I191 HydrophobicContact SD-CB 4.43Å; M162-I191 HydrophobicContact SD-CG1 3.59Å; M162-I191 VanDerWaalsContact SD-CG1 3.59Å; M162-I194 HydrophobicContact CG-CG1 4.32Å |
| 163 | Q | 97.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -20.8 | 170.8 | -61.3 | -58.9 | -45.7 | 0 | 0 | 112.5 | L159 E160 Y161 I165 F166 A167 R287 I288 Y291 | L159-Q163 PolarHBondContact O-N 3.3Å; E160-Q163 WeakPolarHBondContact O-CB 3.3Å; E160-Q163 WeakPolarHBondContact O-CG 3.38Å; E160-Q163 PolarHBondContact O-N 2.97Å; Y161-Q163 PolarHBondContact O-N 3.31Å; Q163-I165 PolarHBondContact O-N 3.13Å; Q163-F166 PolarHBondContact O-N 3.47Å; Q163-A167 PolarHBondContact O-N 3.46Å; Q163-R287 HydrophobicContact CB-CB 4.41Å; Q163-R287 HydrophobicContact CB-CG 4.37Å; Q163-R287 WeakPolarHBondContact O-CD 3.33Å; Q163-I288 HydrophobicContact CB-CG1 3.89Å; Q163-I288 HydrophobicContact CG-CG1 4.22Å; Q163-Y291 HydrophobicContact CG-CD1 4.4Å; Q163-Y291 HydrophobicContact CG-CG 4.19Å |
| 164 | L | 98.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -29.3 | 172 | -80.3 | 58.6 | 0 | 0 | 0 | 111.7 | Y161 M162 F166 A167 L168 I221 V224 I288 | Y161-L164 HydrophobicContact CD2-CD2 4.17Å; Y161-L164 HydrophobicContact CE2-CD2 4.09Å; Y161-L164 VanDerWaalsContact O-CB 3.31Å; Y161-L164 WeakPolarHBondContact O-CB 3.37Å; Y161-L164 WeakPolarHBondContact O-CD1 3.46Å; Y161-L164 PolarHBondContact O-N 2.89Å; Y161-L164 VanDerWaalsContact O-N 3.09Å; M162-L164 PolarHBondContact O-N 3.08Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-A167 PolarHBondContact O-N 3.09Å; L164-L168 WeakPolarHBondContact O-CB 3.38Å; L164-L168 PolarHBondContact O-N 3.36Å; L164-I221 HydrophobicContact CD2-CD1 3.57Å; L164-I221 HydrophobicContact CD2-CG1 4.14Å; L164-V224 HydrophobicContact CB-CG1 3.99Å; L164-V224 HydrophobicContact CB-CG2 4.07Å; L164-I288 HydrophobicContact CD1-CD1 3.8Å |
| 165 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.2 | -61.7 | 172.7 | 0 | 0 | 0 | 109.5 | M162 Q163 L168 L169 A190 I194 V224 V228 I231 | M162-I165 HydrophobicContact CB-CD1 4.42Å; M162-I165 HydrophobicContact CE-CD1 4.39Å; M162-I165 VanDerWaalsContact O-CB 3.28Å; M162-I165 WeakPolarHBondContact O-CB 3.32Å; M162-I165 PolarHBondContact O-N 2.79Å; Q163-I165 PolarHBondContact O-N 3.13Å; I165-L168 PolarHBondContact O-N 3.4Å; I165-L169 VanDerWaalsContact O-CB 3.24Å; I165-L169 WeakPolarHBondContact O-CB 3.31Å; I165-L169 PolarHBondContact O-N 3.11Å; I165-A190 HydrophobicContact CD1-CB 3.84Å; I165-I194 HydrophobicContact CD1-CD1 4.23Å; I165-I194 HydrophobicContact CD1-CG1 4.16Å; I165-V224 HydrophobicContact CG1-CG1 4.01Å; I165-V228 HydrophobicContact CG2-CG2 3.91Å; I165-V228 WeakPolarHBondContact O-CG2 3.45Å; I165-I231 HydrophobicContact CG2-CD1 4.13Å |
| 166 | F | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.9 | -35.7 | 179.7 | -74 | 3.4 | 0 | 0 | 0 | 112.4 | Q163 L164 L168 L169 E170 L177 I180 E181 L185 P187 F189 R287 | Q163-F166 PolarHBondContact O-N 3.47Å; L164-F166 VanDerWaalsContact C-N 3.34Å; F166-L168 VanDerWaalsContact C-N 3.34Å; F166-L169 PolarHBondContact O-N 3.32Å; F166-E170 WeakPolarHBondContact O-CB 3.47Å; F166-E170 PolarHBondContact O-N 3.05Å; F166-L177 HydrophobicContact CB-CD1 3.92Å; F166-L177 HydrophobicContact CD1-CD1 4.11Å; F166-L177 HydrophobicContact CD2-CD1 4.11Å; F166-L177 HydrophobicContact CG-CD1 3.82Å; F166-I180 HydrophobicContact CE1-CG2 4.1Å; F166-I180 HydrophobicContact CZ-CG2 3.68Å; F166-E181 HydrophobicContact CE2-CG 4.38Å; F166-L185 WeakPolarHBondContact CE2-O 3.44Å; F166-L185 VanDerWaalsContact CZ-O 3.32Å; F166-L185 WeakPolarHBondContact CZ-O 3.34Å; F166-P187 HydrophobicContact CD1-CB 4.11Å; F166-P187 HydrophobicContact CE1-CB 3.81Å; F166-P187 HydrophobicContact CE2-CB 4.45Å; F166-P187 HydrophobicContact CZ-CB 4Å; F166-P187 VanDerWaalsContact CZ-N 3.33Å; F166-F189 AromaticContact CE1-CE1 3.85Å; F166-F189 HydrophobicContact CE1-CE1 3.85Å; F166-F189 HydrophobicContact CE1-CZ 4.21Å; F166-F189 HydrophobicContact CZ-CE1 4.18Å; F166-R287 VanDerWaalsContact CB-CZ 3.5Å |
| 167 | A | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q163 L164 H171 L280 L283 R287 | Q163-A167 PolarHBondContact O-N 3.46Å; L164-A167 PolarHBondContact O-N 3.09Å; A167-H171 PolarHBondContact O-N 3.21Å; A167-L280 HydrophobicContact CB-CD1 4.4Å; A167-L283 HydrophobicContact CB-CB 4.21Å; A167-R287 HydrophobicContact CB-CB 4.5Å |
| 168 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71 | -38.7 | 176 | -175.7 | 61.1 | 0 | 0 | 0 | 111.8 | L164 I165 F166 E170 H171 V172 V224 Y225 V228 I271 L275 L280 | L164-L168 WeakPolarHBondContact O-CB 3.38Å; L164-L168 PolarHBondContact O-N 3.36Å; I165-L168 PolarHBondContact O-N 3.4Å; F166-L168 VanDerWaalsContact C-N 3.34Å; L168-E170 VanDerWaalsContact C-N 3.31Å; L168-E170 PolarHBondContact O-N 2.89Å; L168-H171 WeakPolarHBondContact O-CB 3.3Å; L168-H171 PolarHBondContact O-N 2.97Å; L168-V172 HydrophobicContact CD1-CG2 4.31Å; L168-V172 HydrophobicContact CG-CG2 4.39Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; L168-V172 PolarHBondContact O-N 3.19Å; L168-V224 HydrophobicContact CB-CG1 4.45Å; L168-V224 HydrophobicContact CD2-CG1 4.1Å; L168-Y225 HydrophobicContact CD1-CE1 4.16Å; L168-Y225 HydrophobicContact CD2-CD1 3.64Å; L168-Y225 HydrophobicContact CD2-CE1 3.96Å; L168-Y225 HydrophobicContact CD2-CG 4.06Å; L168-V228 HydrophobicContact CB-CG2 3.89Å; L168-V228 HydrophobicContact CD2-CB 3.81Å; L168-V228 HydrophobicContact CD2-CG1 4.27Å; L168-V228 HydrophobicContact CD2-CG2 3.72Å; L168-V228 HydrophobicContact CG-CB 4.14Å; L168-V228 HydrophobicContact CG-CG1 4.11Å; L168-V228 HydrophobicContact CG-CG2 3.9Å; L168-I271 HydrophobicContact CD1-CG2 3.67Å; L168-I271 HydrophobicContact CD2-CG2 3.96Å; L168-I271 HydrophobicContact CG-CG2 4.05Å; L168-L275 HydrophobicContact CD1-CB 4.38Å; L168-L275 HydrophobicContact CD1-CD2 3.55Å; L168-L280 HydrophobicContact CB-CD1 3.64Å; L168-L280 HydrophobicContact CB-CD2 4.32Å; L168-L280 HydrophobicContact CD1-CD1 4.21Å; L168-L280 HydrophobicContact CD1-CD2 4.35Å; L168-L280 HydrophobicContact CD2-CD2 4.05Å; L168-L280 HydrophobicContact CG-CD1 4.43Å; L168-L280 HydrophobicContact CG-CD2 4.49Å |
| 169 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -34.9 | 176.6 | -170.9 | 64.8 | 0 | 0 | 0 | 111.8 | I165 F166 H171 V172 S173 V176 L177 I180 V228 I231 | I165-L169 VanDerWaalsContact O-CB 3.24Å; I165-L169 WeakPolarHBondContact O-CB 3.31Å; I165-L169 PolarHBondContact O-N 3.11Å; F166-L169 PolarHBondContact O-N 3.32Å; L169-H171 VanDerWaalsContact C-N 3.28Å; L169-H171 PolarHBondContact O-N 3.16Å; L169-V172 PolarHBondContact O-N 3.3Å; L169-S173 CarbonylContact O-C 3.45Å; L169-S173 WeakPolarHBondContact O-CA 3.37Å; L169-S173 PolarHBondContact O-N 2.73Å; L169-S173 VanDerWaalsContact O-O 3.08Å; L169-V176 HydrophobicContact CD1-CB 4.36Å; L169-V176 HydrophobicContact CD1-CG1 4.22Å; L169-V176 HydrophobicContact CD2-CG1 4.21Å; L169-L177 HydrophobicContact CD2-CB 4.05Å; L169-L177 HydrophobicContact CD2-CD1 4.17Å; L169-L177 HydrophobicContact CG-CB 4.07Å; L169-I180 HydrophobicContact CD2-CD1 3.79Å; L169-V228 HydrophobicContact CB-CG2 4.5Å; L169-V228 HydrophobicContact CD1-CG1 4.16Å; L169-I231 HydrophobicContact CD1-CB 4.39Å; L169-I231 HydrophobicContact CD1-CG2 3.72Å; L169-I231 HydrophobicContact CD2-CG2 4.15Å |
| 170 | E | 97.7 | Very high | 97.5 | Very high | 97 Ų | 97 | 28.4 Ų | 28.4 | 45% | 0.453 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 173.7 | -165.6 | 166.3 | -176 | 0 | 0 | 112.1 | F166 L168 T174 L177 R287 | F166-E170 WeakPolarHBondContact O-CB 3.47Å; F166-E170 PolarHBondContact O-N 3.05Å; L168-E170 VanDerWaalsContact C-N 3.31Å; L168-E170 PolarHBondContact O-N 2.89Å; E170-T174 PolarHBondContact O-OG1 3.2Å; E170-L177 HydrophobicContact CB-CD2 3.47Å; E170-L177 VanDerWaalsContact CB-CD2 3.47Å; E170-L177 HydrophobicContact CG-CD2 3.8Å; E170-R287 IonicContact OE2-CZ 3.58Å; E170-R287 IonicContact OE2-NH1 2.63Å; E170-R287 PolarHBondContact OE2-NH1 3.02Å |
| 171 | H | 97.2 | Very high | 97.5 | Very high | 84 Ų | 84 | 30.7 Ų | 30.7 | 39% | 0.389 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 176.1 | 179.3 | 84.1 | 0 | 0 | 0 | 112.3 | A167 L168 L169 D274 L275 | A167-H171 PolarHBondContact O-N 3.21Å; L168-H171 WeakPolarHBondContact O-CB 3.3Å; L168-H171 PolarHBondContact O-N 2.97Å; L169-H171 VanDerWaalsContact C-N 3.28Å; L169-H171 PolarHBondContact O-N 3.16Å; H171-D274 IonicContact CD2-OD2 2.69Å; H171-D274 IonicContact CE1-OD2 3.6Å; H171-D274 IonicContact NE2-OD2 3.25Å; H171-D274 PolarHBondContact NE2-OD2 2.93Å; H171-L275 HydrophobicContact CB-CD2 4.47Å |
| 172 | V | 97.7 | Very high | 97.4 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -81.3 | -41.6 | -174.9 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | L168 L169 V228 T232 I271 | L168-V172 HydrophobicContact CD1-CG2 4.31Å; L168-V172 HydrophobicContact CG-CG2 4.39Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; L168-V172 PolarHBondContact O-N 3.19Å; L169-V172 PolarHBondContact O-N 3.3Å; V172-V228 HydrophobicContact CB-CG1 4.31Å; V172-V228 HydrophobicContact CG2-CG1 4.2Å; V172-T232 HydrophobicContact CG1-CG2 3.86Å; V172-T232 WeakPolarHBondContact CG1-OG1 3.47Å; V172-I271 HydrophobicContact CG1-CD1 4.48Å; V172-I271 HydrophobicContact CG2-CD1 4.34Å; V172-I271 HydrophobicContact CG2-CG1 4.19Å; V172-I271 HydrophobicContact CG2-CG2 3.7Å |
| 173 | S | 96.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | trans | -158.4 | 93 | 179 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L169 S175 V176 L177 | L169-S173 CarbonylContact O-C 3.45Å; L169-S173 WeakPolarHBondContact O-CA 3.37Å; L169-S173 PolarHBondContact O-N 2.73Å; L169-S173 VanDerWaalsContact O-O 3.08Å; S173-S175 PolarHBondContact O-N 3.12Å; S173-V176 PolarHBondContact O-N 3.06Å; S173-V176 VanDerWaalsContact OG-CG2 3.29Å; S173-V176 WeakPolarHBondContact OG-CG2 3.11Å; S173-V176 PolarHBondContact OG-N 2.86Å; S173-L177 PolarHBondContact O-N 2.96Å; S173-L177 VanDerWaalsContact O-N 3.15Å | ||
| 174 | T | 97.2 | Very high | 97.1 | Very high | 72 Ų | 72 | 40 Ų | 40 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.2 | -31.3 | 174 | -40.4 | 0 | 0 | 0 | 0 | 112.3 | E170 L177 N178 | E170-T174 PolarHBondContact O-OG1 3.2Å; T174-L177 PolarHBondContact O-N 3.03Å; T174-N178 WeakPolarHBondContact O-CB 3.31Å; T174-N178 PolarHBondContact O-N 3.45Å; T174-N178 PolarHBondContact O-ND2 2.9Å |
| 175 | S | 97.2 | Very high | 96.9 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | S173 L177 N178 S179 E239 | S173-S175 PolarHBondContact O-N 3.12Å; S175-L177 PolarHBondContact O-N 3.36Å; S175-N178 WeakPolarHBondContact O-CB 3.22Å; S175-N178 PolarHBondContact O-N 2.91Å; S175-S179 PolarHBondContact O-N 3.04Å; S175-S179 PolarHBondContact O-OG 3.36Å; S175-E239 WeakPolarHBondContact CB-OE1 3.38Å; S175-E239 PolarHBondContact OG-OE1 2.8Å |
| 176 | V | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | L169 S173 N178 S179 I180 I231 A235 V238 E239 | L169-V176 HydrophobicContact CD1-CB 4.36Å; L169-V176 HydrophobicContact CD1-CG1 4.22Å; L169-V176 HydrophobicContact CD2-CG1 4.21Å; S173-V176 PolarHBondContact O-N 3.06Å; S173-V176 VanDerWaalsContact OG-CG2 3.29Å; S173-V176 WeakPolarHBondContact OG-CG2 3.11Å; S173-V176 PolarHBondContact OG-N 2.86Å; V176-N178 VanDerWaalsContact C-N 3.33Å; V176-N178 PolarHBondContact O-N 3.37Å; V176-S179 WeakPolarHBondContact O-CB 3.37Å; V176-S179 PolarHBondContact O-N 3.35Å; V176-I180 HydrophobicContact CG1-CD1 4.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.42Å; V176-I180 PolarHBondContact O-N 3.03Å; V176-I180 VanDerWaalsContact O-N 3.15Å; V176-I231 HydrophobicContact CG1-CG2 3.55Å; V176-A235 HydrophobicContact CG2-CB 3.59Å; V176-V238 HydrophobicContact CG1-CB 4.26Å; V176-V238 HydrophobicContact CG1-CG1 3.83Å; V176-E239 HydrophobicContact CG2-CG 3.96Å |
| 177 | L | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 175 | 178.6 | 63.1 | 0 | 0 | 0 | 111.5 | F166 L169 E170 S173 T174 S175 S179 I180 E181 | F166-L177 HydrophobicContact CB-CD1 3.92Å; F166-L177 HydrophobicContact CD1-CD1 4.11Å; F166-L177 HydrophobicContact CD2-CD1 4.11Å; F166-L177 HydrophobicContact CG-CD1 3.82Å; L169-L177 HydrophobicContact CD2-CB 4.05Å; L169-L177 HydrophobicContact CD2-CD1 4.17Å; L169-L177 HydrophobicContact CG-CB 4.07Å; E170-L177 HydrophobicContact CB-CD2 3.47Å; E170-L177 VanDerWaalsContact CB-CD2 3.47Å; E170-L177 HydrophobicContact CG-CD2 3.8Å; S173-L177 PolarHBondContact O-N 2.96Å; S173-L177 VanDerWaalsContact O-N 3.15Å; T174-L177 PolarHBondContact O-N 3.03Å; S175-L177 PolarHBondContact O-N 3.36Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.14Å; L177-I180 PolarHBondContact O-N 3.35Å; L177-I180 VanDerWaalsContact O-N 3.1Å; L177-E181 HydrophobicContact CD1-CG 3.85Å; L177-E181 HydrophobicContact CG-CG 4.26Å; L177-E181 PolarHBondContact O-N 3.23Å |
| 178 | N | 97 | Very high | 96.2 | Very high | 91 Ų | 91 | 42.6 Ų | 42.6 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 177.9 | -71.9 | -22.7 | 0 | 0 | 0 | 111.8 | T174 S175 V176 I180 E181 S182 | T174-N178 WeakPolarHBondContact O-CB 3.31Å; T174-N178 PolarHBondContact O-N 3.45Å; T174-N178 PolarHBondContact O-ND2 2.9Å; S175-N178 WeakPolarHBondContact O-CB 3.22Å; S175-N178 PolarHBondContact O-N 2.91Å; V176-N178 VanDerWaalsContact C-N 3.33Å; V176-N178 PolarHBondContact O-N 3.37Å; N178-I180 VanDerWaalsContact C-N 3.31Å; N178-I180 PolarHBondContact O-N 3Å; N178-E181 PolarHBondContact O-N 2.94Å; N178-S182 WeakPolarHBondContact O-CB 3.38Å; N178-S182 PolarHBondContact O-N 2.84Å; N178-S182 PolarHBondContact O-OG 3.47Å |
| 179 | S | 95.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 173.8 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | S175 V176 L177 S182 L248 | S175-S179 PolarHBondContact O-N 3.04Å; S175-S179 PolarHBondContact O-OG 3.36Å; V176-S179 WeakPolarHBondContact O-CB 3.37Å; V176-S179 PolarHBondContact O-N 3.35Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.14Å; S179-S182 PolarHBondContact O-OG 3.37Å; S179-L248 WeakPolarHBondContact O-CD2 3.18Å |
| 180 | I | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -48.9 | 178.6 | -61.7 | 175.3 | 0 | 0 | 0 | 111.4 | F166 L169 V176 L177 N178 S182 V183 L185 F189 V238 L248 L252 | F166-I180 HydrophobicContact CE1-CG2 4.1Å; F166-I180 HydrophobicContact CZ-CG2 3.68Å; L169-I180 HydrophobicContact CD2-CD1 3.79Å; V176-I180 HydrophobicContact CG1-CD1 4.31Å; V176-I180 WeakPolarHBondContact O-CG1 3.42Å; V176-I180 PolarHBondContact O-N 3.03Å; V176-I180 VanDerWaalsContact O-N 3.15Å; L177-I180 PolarHBondContact O-N 3.35Å; L177-I180 VanDerWaalsContact O-N 3.1Å; N178-I180 VanDerWaalsContact C-N 3.31Å; N178-I180 PolarHBondContact O-N 3Å; I180-S182 VanDerWaalsContact C-N 3.33Å; I180-S182 PolarHBondContact O-N 3.49Å; I180-V183 VanDerWaalsContact O-CG2 3.26Å; I180-V183 WeakPolarHBondContact O-CG2 3.35Å; I180-V183 PolarHBondContact O-N 2.95Å; I180-L185 HydrophobicContact CG2-CB 4.07Å; I180-L185 HydrophobicContact CG2-CD2 4.27Å; I180-L185 HydrophobicContact CG2-CG 4.12Å; I180-L185 WeakPolarHBondContact CG2-O 3.49Å; I180-L185 PolarHBondContact O-N 3Å; I180-F189 HydrophobicContact CG2-CE1 4.38Å; I180-V238 HydrophobicContact CG1-CG1 4.23Å; I180-L248 HydrophobicContact CG1-CD2 4.32Å; I180-L252 HydrophobicContact CD1-CD1 4.1Å; I180-L252 HydrophobicContact CD1-CD2 4.06Å; I180-L252 HydrophobicContact CG1-CD1 4.12Å |
| 181 | E | 95.6 | Very high | 96 | Very high | 76 Ų | 76 | 39 Ų | 39 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -73.5 | -23.5 | -176.7 | -65.7 | -164.6 | 127.4 | 0 | 0 | 113.2 | F166 L177 N178 V183 D184 R287 | F166-E181 HydrophobicContact CE2-CG 4.38Å; L177-E181 HydrophobicContact CD1-CG 3.85Å; L177-E181 HydrophobicContact CG-CG 4.26Å; L177-E181 PolarHBondContact O-N 3.23Å; N178-E181 PolarHBondContact O-N 2.94Å; E181-V183 PolarHBondContact O-N 3.31Å; E181-V183 VanDerWaalsContact O-N 3.12Å; E181-D184 PolarHBondContact O-N 3.27Å; E181-R287 IonicContact OE1-CZ 3.72Å; E181-R287 IonicContact OE1-NH2 3.93Å; E181-R287 PolarHBondContact OE1-NH2 3.38Å; E181-R287 IonicContact OE2-NH2 2.93Å; E181-R287 PolarHBondContact OE2-NH2 2.87Å; E181-R287 VanDerWaalsContact OE2-NH2 3.11Å |
| 182 | S | 95.7 | Very high | 95.9 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 49% | 0.49 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.6 | 177.9 | 70.3 | 0 | 0 | 0 | 0 | 114.3 | N178 S179 I180 | N178-S182 WeakPolarHBondContact O-CB 3.38Å; N178-S182 PolarHBondContact O-N 2.84Å; N178-S182 PolarHBondContact O-OG 3.47Å; S179-S182 PolarHBondContact O-OG 3.37Å; I180-S182 VanDerWaalsContact C-N 3.33Å; I180-S182 PolarHBondContact O-N 3.49Å |
| 183 | V | 95.4 | Very high | 96 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 18.2 | 176.6 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | I180 E181 L185 L243 F245 L248 | I180-V183 VanDerWaalsContact O-CG2 3.26Å; I180-V183 WeakPolarHBondContact O-CG2 3.35Å; I180-V183 PolarHBondContact O-N 2.95Å; E181-V183 PolarHBondContact O-N 3.31Å; E181-V183 VanDerWaalsContact O-N 3.12Å; V183-L185 HydrophobicContact CG2-CB 3.83Å; V183-L185 PolarHBondContact O-N 3.18Å; V183-L185 VanDerWaalsContact O-N 3.17Å; V183-L243 HydrophobicContact CG1-CB 4.08Å; V183-F245 WeakPolarHBondContact O-CD2 3.42Å; V183-L248 HydrophobicContact CG2-CD2 3.62Å |
| 184 | D | 93.5 | Very high | 96 | Very high | 150 Ų | 150 | 31.8 Ų | 31.8 | 80% | 0.802 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 27 | -177.4 | -63.3 | -52.6 | 0 | 0 | 0 | 113.9 | E181 G186 | E181-D184 PolarHBondContact O-N 3.27Å; D184-G186 PolarHBondContact O-N 3.45Å |
| 185 | L | 94.3 | Very high | 96 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -83 | 113.4 | -180 | 178.5 | 57.9 | 0 | 0 | 0 | 110.8 | F166 I180 V183 F189 F245 L248 Y249 L252 | F166-L185 WeakPolarHBondContact CE2-O 3.44Å; F166-L185 VanDerWaalsContact CZ-O 3.32Å; F166-L185 WeakPolarHBondContact CZ-O 3.34Å; I180-L185 HydrophobicContact CG2-CB 4.07Å; I180-L185 HydrophobicContact CG2-CD2 4.27Å; I180-L185 HydrophobicContact CG2-CG 4.12Å; I180-L185 WeakPolarHBondContact CG2-O 3.49Å; I180-L185 PolarHBondContact O-N 3Å; V183-L185 HydrophobicContact CG2-CB 3.83Å; V183-L185 PolarHBondContact O-N 3.18Å; V183-L185 VanDerWaalsContact O-N 3.17Å; L185-F189 HydrophobicContact CD1-CD1 4.47Å; L185-F189 HydrophobicContact CD2-CD1 4.21Å; L185-F189 HydrophobicContact CG-CD1 4.21Å; L185-F245 HydrophobicContact CB-CD2 4.21Å; L185-F245 HydrophobicContact CB-CE2 4.16Å; L185-F245 HydrophobicContact CD1-CD2 4.3Å; L185-F245 HydrophobicContact CD1-CE2 3.61Å; L185-F245 HydrophobicContact CD1-CZ 3.84Å; L185-F245 HydrophobicContact CG-CE2 4.48Å; L185-L248 HydrophobicContact CD2-CB 4.45Å; L185-L248 HydrophobicContact CD2-CD2 4.41Å; L185-L248 HydrophobicContact CD2-CG 4.22Å; L185-Y249 HydrophobicContact CD1-CD2 3.72Å; L185-L252 HydrophobicContact CD2-CD1 3.56Å | ||
| 186 | G | 93.3 | Very high | 96 | Very high | 28 Ų | 28 | 25.6 Ų | 25.6 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | trans | -73.6 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D184 D188 F189 | D184-G186 PolarHBondContact O-N 3.45Å; G186-D188 PolarHBondContact O-N 3.48Å; G186-F189 VanDerWaalsContact O-CD1 3.29Å; G186-F189 WeakPolarHBondContact O-CD1 3.34Å | ||
| 187 | P | 95 | Very high | 96 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -72.1 | -0.3 | -177.6 | 32.1 | -36.6 | 0 | 0 | 0 | 113.5 | M162 F166 F189 A190 | M162-P187 HydrophobicContact CB-CB 4.04Å; M162-P187 HydrophobicContact CB-CG 3.85Å; M162-P187 HydrophobicContact CE-CB 4.3Å; M162-P187 WeakPolarHBondContact CE-O 3.37Å; F166-P187 HydrophobicContact CD1-CB 4.11Å; F166-P187 HydrophobicContact CE1-CB 3.81Å; F166-P187 HydrophobicContact CE2-CB 4.45Å; F166-P187 HydrophobicContact CZ-CB 4Å; F166-P187 VanDerWaalsContact CZ-N 3.33Å; P187-F189 PolarHBondContact O-N 3.28Å; P187-A190 PolarHBondContact O-N 2.67Å |
| 188 | D | 92.8 | Very high | 96 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 20% | 0.203 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -52.7 | -26.1 | -174.8 | -63.8 | -5.6 | 0 | 0 | 0 | 114.1 | L159 G186 A190 I191 Y339 | L159-D188 VanDerWaalsContact CD2-OD1 3.22Å; L159-D188 WeakPolarHBondContact CD2-OD1 3.46Å; G186-D188 PolarHBondContact O-N 3.48Å; D188-A190 PolarHBondContact O-N 3.28Å; D188-A190 VanDerWaalsContact O-N 3.14Å; D188-I191 HydrophobicContact CB-CD1 3.83Å; D188-I191 HydrophobicContact CB-CG1 4.45Å; D188-I191 WeakPolarHBondContact O-CB 3.32Å; D188-I191 WeakPolarHBondContact O-CD1 3.47Å; D188-I191 WeakPolarHBondContact O-CG1 3.33Å; D188-I191 PolarHBondContact O-N 3.24Å; D188-Y339 PolarHBondContact OD2-OH 3Å |
| 189 | F | 95.1 | Very high | 96 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -56.9 | -27.2 | 174.2 | 65.9 | -97.7 | 0 | 0 | 0 | 113.1 | F166 I180 L185 G186 P187 W193 I231 Y249 L252 | F166-F189 AromaticContact CE1-CE1 3.85Å; F166-F189 HydrophobicContact CE1-CE1 3.85Å; F166-F189 HydrophobicContact CE1-CZ 4.21Å; F166-F189 HydrophobicContact CZ-CE1 4.18Å; I180-F189 HydrophobicContact CG2-CE1 4.38Å; L185-F189 HydrophobicContact CD1-CD1 4.47Å; L185-F189 HydrophobicContact CD2-CD1 4.21Å; L185-F189 HydrophobicContact CG-CD1 4.21Å; G186-F189 VanDerWaalsContact O-CD1 3.29Å; G186-F189 WeakPolarHBondContact O-CD1 3.34Å; P187-F189 PolarHBondContact O-N 3.28Å; F189-W193 AromaticContact CD2-CH2 3.89Å; F189-W193 HydrophobicContact CD2-CH2 3.89Å; F189-W193 HydrophobicContact CD2-CZ2 4.15Å; F189-W193 HydrophobicContact CD2-CZ3 4.36Å; F189-W193 AromaticContact CE2-CH2 3.76Å; F189-W193 HydrophobicContact CE2-CH2 3.76Å; F189-W193 HydrophobicContact CE2-CZ2 4.47Å; F189-W193 AromaticContact CE2-CZ3 3.94Å; F189-W193 HydrophobicContact CE2-CZ3 3.94Å; F189-I231 HydrophobicContact CE2-CD1 4Å; F189-I231 HydrophobicContact CZ-CD1 3.9Å; F189-Y249 HydrophobicContact CB-CD2 3.84Å; F189-Y249 HydrophobicContact CB-CE2 3.72Å; F189-L252 HydrophobicContact CB-CB 4.35Å; F189-L252 HydrophobicContact CD1-CD1 3.82Å; F189-L252 HydrophobicContact CD2-CB 3.66Å; F189-L252 HydrophobicContact CD2-CD1 4.27Å; F189-L252 HydrophobicContact CD2-CG 4.42Å; F189-L252 HydrophobicContact CE1-CD1 3.83Å; F189-L252 HydrophobicContact CE2-CB 4.07Å; F189-L252 HydrophobicContact CE2-CD1 4.29Å; F189-L252 HydrophobicContact CE2-CD2 4.2Å; F189-L252 HydrophobicContact CE2-CG 4.43Å; F189-L252 HydrophobicContact CG-CB 3.95Å; F189-L252 HydrophobicContact CG-CD1 4.05Å; F189-L252 HydrophobicContact CZ-CD1 4.08Å; F189-L252 HydrophobicContact CZ-CD2 4.32Å |
| 190 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -92.4 | 5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M162 I165 P187 D188 A192 W193 I194 | M162-A190 VanDerWaalsContact CE-C 3.45Å; M162-A190 HydrophobicContact CE-CB 3.82Å; I165-A190 HydrophobicContact CD1-CB 3.84Å; P187-A190 PolarHBondContact O-N 2.67Å; D188-A190 PolarHBondContact O-N 3.28Å; D188-A190 VanDerWaalsContact O-N 3.14Å; A190-A192 VanDerWaalsContact C-N 3.31Å; A190-A192 PolarHBondContact O-N 3.17Å; A190-W193 HydrophobicContact CB-CD2 3.83Å; A190-W193 HydrophobicContact CB-CE3 3.54Å; A190-W193 HydrophobicContact CB-CG 4.3Å; A190-W193 HydrophobicContact CB-CZ3 4Å; A190-W193 VanDerWaalsContact O-CB 3.25Å; A190-W193 WeakPolarHBondContact O-CB 3.3Å; A190-W193 PolarHBondContact O-N 2.89Å; A190-I194 PolarHBondContact O-N 2.99Å; A190-I194 VanDerWaalsContact O-N 3.12Å |
| 191 | I | 96.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 11% | 0.108 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.3 | -49.7 | -177 | -76.7 | 166.7 | 0 | 0 | 0 | 110.4 | L159 M162 D188 W193 I194 I195 | L159-I191 HydrophobicContact CD2-CD1 3.85Å; L159-I191 HydrophobicContact CD2-CG1 4.19Å; M162-I191 HydrophobicContact CE-CB 4.35Å; M162-I191 HydrophobicContact CE-CG1 3.73Å; M162-I191 VanDerWaalsContact CE-N 3.32Å; M162-I191 HydrophobicContact SD-CB 4.43Å; M162-I191 HydrophobicContact SD-CG1 3.59Å; M162-I191 VanDerWaalsContact SD-CG1 3.59Å; D188-I191 HydrophobicContact CB-CD1 3.83Å; D188-I191 HydrophobicContact CB-CG1 4.45Å; D188-I191 WeakPolarHBondContact O-CB 3.32Å; D188-I191 WeakPolarHBondContact O-CD1 3.47Å; D188-I191 WeakPolarHBondContact O-CG1 3.33Å; D188-I191 PolarHBondContact O-N 3.24Å; I191-W193 PolarHBondContact O-N 2.98Å; I191-I194 PolarHBondContact O-N 3.22Å; I191-I195 HydrophobicContact CG2-CD1 3.75Å; I191-I195 HydrophobicContact CG2-CG1 4.46Å; I191-I195 HydrophobicContact CG2-CG2 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.43Å; I191-I195 WeakPolarHBondContact O-CG2 3.38Å; I191-I195 PolarHBondContact O-N 3.34Å |
| 192 | A | 96 | Very high | 95.9 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -27.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A190 T196 V201 | A190-A192 VanDerWaalsContact C-N 3.31Å; A190-A192 PolarHBondContact O-N 3.17Å; A192-T196 WeakPolarHBondContact O-CB 3.3Å; A192-T196 PolarHBondContact O-OG1 3.28Å; A192-V201 HydrophobicContact CB-CG1 3.9Å |
| 193 | W | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.6 | -50.6 | 179.9 | -53.2 | -3.5 | 0 | 0 | 0 | 110.2 | F189 A190 I191 W197 F198 V201 I230 I231 L252 P256 | F189-W193 AromaticContact CD2-CH2 3.89Å; F189-W193 HydrophobicContact CD2-CH2 3.89Å; F189-W193 HydrophobicContact CD2-CZ2 4.15Å; F189-W193 HydrophobicContact CD2-CZ3 4.36Å; F189-W193 AromaticContact CE2-CH2 3.76Å; F189-W193 HydrophobicContact CE2-CH2 3.76Å; F189-W193 HydrophobicContact CE2-CZ2 4.47Å; F189-W193 AromaticContact CE2-CZ3 3.94Å; F189-W193 HydrophobicContact CE2-CZ3 3.94Å; A190-W193 HydrophobicContact CB-CD2 3.83Å; A190-W193 HydrophobicContact CB-CE3 3.54Å; A190-W193 HydrophobicContact CB-CG 4.3Å; A190-W193 HydrophobicContact CB-CZ3 4Å; A190-W193 VanDerWaalsContact O-CB 3.25Å; A190-W193 WeakPolarHBondContact O-CB 3.3Å; A190-W193 PolarHBondContact O-N 2.89Å; I191-W193 PolarHBondContact O-N 2.98Å; W193-W197 CarbonylContact O-C 3.12Å; W193-W197 WeakPolarHBondContact O-CA 3.35Å; W193-W197 PolarHBondContact O-N 2.96Å; W193-W197 VanDerWaalsContact O-N 3.11Å; W193-F198 HydrophobicContact CB-CD1 3.83Å; W193-F198 HydrophobicContact CB-CE1 3.46Å; W193-F198 VanDerWaalsContact CB-CE1 3.46Å; W193-F198 HydrophobicContact CB-CE2 4.43Å; W193-F198 HydrophobicContact CB-CG 4.45Å; W193-F198 HydrophobicContact CB-CZ 3.81Å; W193-F198 HydrophobicContact CD2-CE1 4.01Å; W193-F198 HydrophobicContact CE3-CE1 4.09Å; W193-F198 HydrophobicContact CG-CD1 4.13Å; W193-F198 AromaticContact CG-CE1 3.77Å; W193-F198 HydrophobicContact CG-CE1 3.77Å; W193-F198 HydrophobicContact CG-CZ 4.49Å; W193-F198 PolarHBondContact O-N 3.11Å; W193-V201 HydrophobicContact CG-CG2 4.49Å; W193-I230 HydrophobicContact CH2-CG2 4.28Å; W193-I230 HydrophobicContact CZ3-CG2 4.36Å; W193-I231 HydrophobicContact CZ3-CG1 4.4Å; W193-L252 WeakPolarHBondContact CH2-O 3.48Å; W193-L252 WeakPolarHBondContact CZ2-O 3.2Å; W193-P256 HydrophobicContact CD2-CG 3.94Å; W193-P256 VanDerWaalsContact CE2-CG 3.45Å; W193-P256 HydrophobicContact CG-CG 4.33Å; W193-P256 HydrophobicContact CH2-CG 4.34Å; W193-P256 HydrophobicContact CZ2-CG 3.7Å |
| 194 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.8 | -50.7 | -175 | -64.1 | -61.8 | 0 | 0 | 0 | 111.1 | F150 Y161 M162 I165 A190 I191 T196 W197 L223 S227 | F150-I194 HydrophobicContact CE1-CG2 3.54Å; F150-I194 HydrophobicContact CZ-CG2 3.56Å; Y161-I194 HydrophobicContact CD1-CG2 4.1Å; Y161-I194 HydrophobicContact CE1-CG2 3.77Å; M162-I194 HydrophobicContact CG-CG1 4.32Å; I165-I194 HydrophobicContact CD1-CD1 4.23Å; I165-I194 HydrophobicContact CD1-CG1 4.16Å; A190-I194 PolarHBondContact O-N 2.99Å; A190-I194 VanDerWaalsContact O-N 3.12Å; I191-I194 PolarHBondContact O-N 3.22Å; I194-T196 VanDerWaalsContact C-N 3.3Å; I194-T196 PolarHBondContact O-N 3.41Å; I194-W197 PolarHBondContact O-N 3.46Å; I194-L223 HydrophobicContact CD1-CB 3.88Å; I194-S227 WeakPolarHBondContact CD1-OG 3.35Å |
| 195 | I | 97.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -76.4 | -20.4 | -170 | 75.9 | -177.1 | 0 | 0 | 0 | 113.2 | Y116 Q117 F150 M155 T158 I191 | Y116-I195 HydrophobicContact CD2-CB 4.14Å; Y116-I195 HydrophobicContact CD2-CD1 4.06Å; Y116-I195 HydrophobicContact CD2-CG1 4.31Å; Y116-I195 HydrophobicContact CE2-CB 3.62Å; Y116-I195 HydrophobicContact CE2-CD1 4.23Å; Y116-I195 HydrophobicContact CE2-CG1 3.97Å; Y116-I195 VanDerWaalsContact CE2-O 3.31Å; Y116-I195 WeakPolarHBondContact CE2-O 3.38Å; Y116-I195 PolarHBondContact OH-O 2.76Å; Q117-I195 VanDerWaalsContact O-CD1 3.29Å; Q117-I195 WeakPolarHBondContact O-CD1 3.34Å; F150-I195 HydrophobicContact CD1-CG2 4.23Å; F150-I195 HydrophobicContact CG-CG2 4.41Å; M155-I195 HydrophobicContact CE-CG2 4.07Å; T158-I195 HydrophobicContact CG2-CG2 3.91Å; I191-I195 HydrophobicContact CG2-CD1 3.75Å; I191-I195 HydrophobicContact CG2-CG1 4.46Å; I191-I195 HydrophobicContact CG2-CG2 4.33Å; I191-I195 WeakPolarHBondContact O-CG1 3.43Å; I191-I195 WeakPolarHBondContact O-CG2 3.38Å; I191-I195 PolarHBondContact O-N 3.34Å |
| 196 | T | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 7.3 | 178.3 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | I122 A192 I194 F198 A199 H200 | I122-T196 WeakPolarHBondContact CD1-O 3.47Å; A192-T196 WeakPolarHBondContact O-CB 3.3Å; A192-T196 PolarHBondContact O-OG1 3.28Å; I194-T196 VanDerWaalsContact C-N 3.3Å; I194-T196 PolarHBondContact O-N 3.41Å; T196-F198 PolarHBondContact O-N 3.47Å; T196-A199 WeakPolarHBondContact O-CB 3.41Å; T196-A199 PolarHBondContact O-N 3.01Å; T196-H200 HydrophobicContact CG2-CB 3.79Å; T196-H200 VanDerWaalsContact OG1-CB 3.22Å; T196-H200 WeakPolarHBondContact OG1-CB 3.49Å; T196-H200 PolarHBondContact OG1-N 3.25Å; T196-H200 VanDerWaalsContact OG1-N 3.12Å |
| 197 | W | 98 | Very high | 95.8 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 44 | -176 | -68.2 | 10.8 | 0 | 0 | 0 | 111.6 | I122 H146 F147 W193 I194 A199 F212 F215 L216 L223 | I122-W197 HydrophobicContact CD1-CB 3.66Å; I122-W197 HydrophobicContact CD1-CD2 4.15Å; I122-W197 HydrophobicContact CD1-CG 3.67Å; H146-W197 HydrophobicContact CB-CH2 4.36Å; H146-W197 HydrophobicContact CB-CZ2 3.86Å; H146-W197 AromaticContact CD2-CH2 3.68Å; H146-W197 AromaticContact CD2-CZ2 3.62Å; F147-W197 HydrophobicContact CD1-CZ2 4.41Å; F147-W197 HydrophobicContact CE1-CD2 4.07Å; F147-W197 AromaticContact CE1-CE2 3.41Å; F147-W197 VanDerWaalsContact CE1-CE2 3.41Å; F147-W197 HydrophobicContact CE1-CH2 4.13Å; F147-W197 AromaticContact CE1-CZ2 3.48Å; F147-W197 HydrophobicContact CE1-CZ2 3.48Å; F147-W197 VanDerWaalsContact CE1-CZ2 3.48Å; F147-W197 AromaticContact CE1-NE1 3.56Å; F147-W197 HydrophobicContact CZ-CD2 4.36Å; F147-W197 AromaticContact CZ-CE2 3.85Å; F147-W197 HydrophobicContact CZ-CE3 4.48Å; F147-W197 AromaticContact CZ-CH2 3.71Å; F147-W197 HydrophobicContact CZ-CH2 3.71Å; F147-W197 AromaticContact CZ-CZ2 3.54Å; F147-W197 HydrophobicContact CZ-CZ2 3.54Å; F147-W197 HydrophobicContact CZ-CZ3 4.17Å; W193-W197 CarbonylContact O-C 3.12Å; W193-W197 WeakPolarHBondContact O-CA 3.35Å; W193-W197 PolarHBondContact O-N 2.96Å; W193-W197 VanDerWaalsContact O-N 3.11Å; I194-W197 PolarHBondContact O-N 3.46Å; W197-A199 PolarHBondContact O-N 2.91Å; W197-F212 HydrophobicContact CB-CD2 4.33Å; W197-F212 HydrophobicContact CB-CE2 3.57Å; W197-F212 HydrophobicContact CB-CZ 3.89Å; W197-F212 HydrophobicContact CD2-CZ 4.44Å; W197-F212 AromaticContact CE3-CD1 3.87Å; W197-F212 HydrophobicContact CE3-CD1 3.87Å; W197-F212 HydrophobicContact CE3-CD2 4.16Å; W197-F212 AromaticContact CE3-CE1 3.75Å; W197-F212 HydrophobicContact CE3-CE1 3.75Å; W197-F212 HydrophobicContact CE3-CE2 4.07Å; W197-F212 HydrophobicContact CE3-CG 4.09Å; W197-F212 AromaticContact CE3-CZ 3.87Å; W197-F212 HydrophobicContact CE3-CZ 3.87Å; W197-F212 HydrophobicContact CG-CE2 4.5Å; W197-F212 HydrophobicContact CZ3-CD1 4.2Å; W197-F212 HydrophobicContact CZ3-CE1 4.34Å; W197-F215 HydrophobicContact CB-CD2 4.07Å; W197-F215 HydrophobicContact CB-CE2 4.01Å; W197-F215 HydrophobicContact CD2-CD2 4.03Å; W197-F215 HydrophobicContact CE3-CB 4.1Å; W197-F215 AromaticContact CE3-CD2 3.86Å; W197-F215 HydrophobicContact CE3-CD2 3.86Å; W197-F215 HydrophobicContact CE3-CG 4.42Å; W197-F215 HydrophobicContact CG-CD2 4.19Å; W197-F215 HydrophobicContact CG-CE2 4.47Å; W197-F215 HydrophobicContact CH2-CB 4.21Å; W197-F215 HydrophobicContact CZ3-CB 3.91Å; W197-L216 HydrophobicContact CH2-CD2 4.3Å; W197-L216 HydrophobicContact CZ3-CD2 4.17Å; W197-L223 HydrophobicContact CB-CD2 4.22Å; W197-L223 HydrophobicContact CD2-CD2 4.41Å; W197-L223 HydrophobicContact CG-CD2 3.83Å |
| 198 | F | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -1.9 | -175.5 | -59.3 | -93.7 | 0 | 0 | 0 | 116.5 | W193 T196 H200 V201 L202 L211 F215 V226 I230 P256 | W193-F198 HydrophobicContact CB-CD1 3.83Å; W193-F198 HydrophobicContact CB-CE1 3.46Å; W193-F198 VanDerWaalsContact CB-CE1 3.46Å; W193-F198 HydrophobicContact CB-CE2 4.43Å; W193-F198 HydrophobicContact CB-CG 4.45Å; W193-F198 HydrophobicContact CB-CZ 3.81Å; W193-F198 HydrophobicContact CD2-CE1 4.01Å; W193-F198 HydrophobicContact CE3-CE1 4.09Å; W193-F198 HydrophobicContact CG-CD1 4.13Å; W193-F198 AromaticContact CG-CE1 3.77Å; W193-F198 HydrophobicContact CG-CE1 3.77Å; W193-F198 HydrophobicContact CG-CZ 4.49Å; W193-F198 PolarHBondContact O-N 3.11Å; T196-F198 PolarHBondContact O-N 3.47Å; F198-H200 PolarHBondContact O-N 2.62Å; F198-V201 HydrophobicContact CB-CG2 4.1Å; F198-V201 HydrophobicContact CD1-CG2 3.92Å; F198-V201 HydrophobicContact CG-CG2 4.47Å; F198-V201 WeakPolarHBondContact O-CG2 3.29Å; F198-V201 PolarHBondContact O-N 3.24Å; F198-V201 VanDerWaalsContact O-N 3.07Å; F198-L202 HydrophobicContact CB-CD1 3.92Å; F198-L202 HydrophobicContact CB-CG 4.08Å; F198-L202 PolarHBondContact O-N 2.94Å; F198-L211 HydrophobicContact CB-CD1 3.75Å; F198-L211 HydrophobicContact CD2-CD1 3.96Å; F198-L211 HydrophobicContact CG-CD1 3.91Å; F198-F215 HydrophobicContact CD2-CE2 4.15Å; F198-F215 AromaticContact CD2-CZ 3.87Å; F198-F215 HydrophobicContact CD2-CZ 3.87Å; F198-F215 HydrophobicContact CE2-CZ 4Å; F198-V226 HydrophobicContact CD2-CG1 4.37Å; F198-V226 HydrophobicContact CE1-CG1 4.35Å; F198-V226 HydrophobicContact CE2-CB 4.09Å; F198-V226 HydrophobicContact CE2-CG1 3.68Å; F198-V226 HydrophobicContact CZ-CB 4.21Å; F198-V226 HydrophobicContact CZ-CG1 3.66Å; F198-I230 HydrophobicContact CD1-CD1 4.02Å; F198-I230 HydrophobicContact CE1-CD1 3.21Å; F198-I230 HydrophobicContact CZ-CD1 3.79Å; F198-P256 HydrophobicContact CD1-CB 4.33Å; F198-P256 HydrophobicContact CD1-CG 4.44Å; F198-P256 HydrophobicContact CE1-CG 4.44Å |
| 199 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -39.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L82 D121 V125 T196 W197 V201 V208 F212 | L82-A199 WeakPolarHBondContact CD2-O 3.29Å; D121-A199 HydrophobicContact CB-CB 4.16Å; V125-A199 HydrophobicContact CG2-CB 3.95Å; T196-A199 WeakPolarHBondContact O-CB 3.41Å; T196-A199 PolarHBondContact O-N 3.01Å; W197-A199 PolarHBondContact O-N 2.91Å; A199-V201 VanDerWaalsContact C-N 3.33Å; A199-V201 PolarHBondContact O-N 3.3Å; A199-V208 HydrophobicContact CB-CG1 3.73Å; A199-F212 HydrophobicContact CB-CE2 4.47Å |
| 200 | H | 95 | Very high | 96.4 | Very high | 48 Ų | 48 | 23.1 Ų | 23.1 | 22% | 0.222 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -25.7 | -178.8 | -165.2 | 77.1 | 0 | 0 | 0 | 114.3 | D121 T196 F198 | D121-H200 WeakPolarHBondContact OD2-CB 3.43Å; D121-H200 IonicContact OD2-CG 2.72Å; D121-H200 IonicContact OD2-ND1 3.11Å; D121-H200 PolarHBondContact OD2-ND1 3.08Å; T196-H200 HydrophobicContact CG2-CB 3.79Å; T196-H200 VanDerWaalsContact OG1-CB 3.22Å; T196-H200 WeakPolarHBondContact OG1-CB 3.49Å; T196-H200 PolarHBondContact OG1-N 3.25Å; T196-H200 VanDerWaalsContact OG1-N 3.12Å; F198-H200 PolarHBondContact O-N 2.62Å |
| 201 | V | 94.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -23.8 | -168 | -61.4 | 0 | 0 | 0 | 0 | 113.6 | A192 W193 F198 A199 P256 K257 | A192-V201 HydrophobicContact CB-CG1 3.9Å; W193-V201 HydrophobicContact CG-CG2 4.49Å; F198-V201 HydrophobicContact CB-CG2 4.1Å; F198-V201 HydrophobicContact CD1-CG2 3.92Å; F198-V201 HydrophobicContact CG-CG2 4.47Å; F198-V201 WeakPolarHBondContact O-CG2 3.29Å; F198-V201 PolarHBondContact O-N 3.24Å; F198-V201 VanDerWaalsContact O-N 3.07Å; A199-V201 VanDerWaalsContact C-N 3.33Å; A199-V201 PolarHBondContact O-N 3.3Å; V201-P256 HydrophobicContact CG2-CB 4.04Å; V201-P256 HydrophobicContact CG2-CG 4.12Å; V201-K257 WeakPolarHBondContact O-CE 3.46Å; V201-K257 VanDerWaalsContact O-CG 3.23Å; V201-K257 WeakPolarHBondContact O-CG 3.4Å |
| 202 | L | 95.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | trans | -80.5 | 142.7 | 176.6 | -69.3 | 177.8 | 0 | 0 | 0 | 111.5 | F198 D207 V208 L211 P256 | F198-L202 HydrophobicContact CB-CD1 3.92Å; F198-L202 HydrophobicContact CB-CG 4.08Å; F198-L202 PolarHBondContact O-N 2.94Å; L202-D207 HydrophobicContact CD1-CB 4.29Å; L202-V208 HydrophobicContact CB-CG2 3.78Å; L202-V208 HydrophobicContact CD1-CG2 4.23Å; L202-L211 HydrophobicContact CD1-CD1 3.51Å; L202-L211 HydrophobicContact CD1-CG 4.43Å; L202-P256 HydrophobicContact CD2-CB 4.1Å; L202-P256 VanDerWaalsContact CD2-O 3.27Å; L202-P256 WeakPolarHBondContact CD2-O 3.21Å | ||
| 203 | P | 90.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 21.9 Ų | 21.9 | 66% | 0.662 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -81.3 | -20.1 | -175.4 | 32.4 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 204 | N | 92.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 21.8 Ų | 21.8 | 36% | 0.358 | 12% | 0.117 | S | C | . | . | trans | -119.2 | 126.7 | -172.9 | -174.8 | -8.4 | 0 | 0 | 0 | 110.8 | D206 D207 V208 | N204-D206 VanDerWaalsContact C-N 3.28Å; N204-D206 PolarHBondContact O-N 2.87Å; N204-D206 PolarHBondContact OD1-N 3.41Å; N204-D207 HydrophobicContact CB-CB 4.33Å; N204-D207 WeakPolarHBondContact CB-OD2 3.33Å; N204-D207 PolarHBondContact O-N 3.25Å; N204-V208 WeakPolarHBondContact O-CG2 3.29Å; N204-V208 PolarHBondContact O-N 3.13Å; N204-V208 VanDerWaalsContact O-N 3.14Å | ||
| 205 | M | 95.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 22 Ų | 22 | 14% | 0.138 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -29.4 | 177.1 | -82.1 | -63.1 | -61.5 | 0 | 0 | 113.5 | L82 Y124 V125 D207 V208 R209 | L82-M205 HydrophobicContact CB-SD 4.09Å; L82-M205 HydrophobicContact CD2-SD 4.19Å; L82-M205 WeakPolarHBondContact O-CG 3.49Å; Y124-M205 HydrophobicContact CD1-CE 4.46Å; Y124-M205 HydrophobicContact CE1-CE 3.91Å; Y124-M205 HydrophobicContact CE1-SD 4.19Å; V125-M205 HydrophobicContact CG2-CE 4.09Å; M205-D207 VanDerWaalsContact C-N 3.33Å; M205-V208 PolarHBondContact O-N 2.87Å; M205-V208 HydrophobicContact SD-CB 4.49Å; M205-R209 WeakPolarHBondContact O-CB 3.24Å; M205-R209 VanDerWaalsContact O-CG 3.25Å; M205-R209 WeakPolarHBondContact O-CG 3.41Å; M205-R209 PolarHBondContact O-N 3.05Å |
| 206 | D | 95.7 | Very high | 96.8 | Very high | 87 Ų | 87 | 22.1 Ų | 22.1 | 47% | 0.465 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 176.2 | -67 | -29.4 | 0 | 0 | 0 | 111.3 | N204 R209 R210 | N204-D206 VanDerWaalsContact C-N 3.28Å; N204-D206 PolarHBondContact O-N 2.87Å; N204-D206 PolarHBondContact OD1-N 3.41Å; D206-R209 PolarHBondContact O-N 3.35Å; D206-R209 IonicContact OD1-NH1 3.51Å; D206-R210 VanDerWaalsContact O-CB 3.22Å; D206-R210 WeakPolarHBondContact O-CB 3.19Å; D206-R210 PolarHBondContact O-N 3.28Å |
| 207 | D | 97.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 22.3 Ų | 22.3 | 25% | 0.251 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.1 | -40 | 175.1 | -65.5 | -26.2 | 0 | 0 | 0 | 111.1 | L202 N204 M205 R210 L211 V261 | L202-D207 HydrophobicContact CD1-CB 4.29Å; N204-D207 HydrophobicContact CB-CB 4.33Å; N204-D207 WeakPolarHBondContact CB-OD2 3.33Å; N204-D207 PolarHBondContact O-N 3.25Å; M205-D207 VanDerWaalsContact C-N 3.33Å; D207-R210 WeakPolarHBondContact O-CB 3.22Å; D207-R210 PolarHBondContact O-N 3.28Å; D207-L211 PolarHBondContact O-N 3.46Å; D207-V261 HydrophobicContact CB-CB 3.91Å; D207-V261 HydrophobicContact CB-CG1 4.08Å; D207-V261 HydrophobicContact CB-CG2 4.23Å; D207-V261 WeakPolarHBondContact OD1-CG1 3.44Å |
| 208 | V | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 173.7 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | V125 A199 L202 N204 M205 R210 L211 F212 | V125-V208 HydrophobicContact CG1-CG1 4.36Å; V125-V208 HydrophobicContact CG2-CG1 3.73Å; A199-V208 HydrophobicContact CB-CG1 3.73Å; L202-V208 HydrophobicContact CB-CG2 3.78Å; L202-V208 HydrophobicContact CD1-CG2 4.23Å; N204-V208 WeakPolarHBondContact O-CG2 3.29Å; N204-V208 PolarHBondContact O-N 3.13Å; N204-V208 VanDerWaalsContact O-N 3.14Å; M205-V208 PolarHBondContact O-N 2.87Å; M205-V208 HydrophobicContact SD-CB 4.49Å; V208-R210 VanDerWaalsContact C-N 3.27Å; V208-R210 PolarHBondContact O-N 2.93Å; V208-L211 WeakPolarHBondContact O-CB 3.48Å; V208-L211 PolarHBondContact O-N 3.25Å; V208-L211 VanDerWaalsContact O-N 3.12Å; V208-F212 HydrophobicContact CG1-CD2 4.03Å; V208-F212 HydrophobicContact CG1-CE2 3.76Å; V208-F212 WeakPolarHBondContact O-CD2 3.38Å; V208-F212 PolarHBondContact O-N 2.87Å |
| 209 | R | 98.4 | Very high | 96.7 | Very high | 30 Ų | 30 | 27 Ų | 27 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -34.5 | 179.7 | -68.1 | 169.6 | -174.4 | 163.8 | -13.8 | 112 | D38 W45 V125 S128 V129 M205 D206 L211 F212 D213 | D38-R209 VanDerWaalsContact OD1-CD 3.26Å; D38-R209 WeakPolarHBondContact OD1-CD 3.39Å; D38-R209 IonicContact OD1-CZ 2.72Å; D38-R209 IonicContact OD1-NE 3.39Å; D38-R209 IonicContact OD1-NH1 2.92Å; D38-R209 IonicContact OD2-CZ 3.21Å; D38-R209 IonicContact OD2-NE 3.64Å; D38-R209 IonicContact OD2-NH1 3.78Å; D38-R209 PolarHBondContact OD2-NH1 3.28Å; D38-R209 IonicContact OD2-NH2 2.75Å; D38-R209 PolarHBondContact OD2-NH2 3.48Å; W45-R209 HydrophobicContact CH2-CG 4.49Å; V125-R209 HydrophobicContact CG1-CG 4.33Å; S128-R209 PolarHBondContact OG-NH2 3.5Å; S128-R209 VanDerWaalsContact OG-NH2 3.16Å; V129-R209 HydrophobicContact CG2-CG 4.42Å; M205-R209 WeakPolarHBondContact O-CB 3.24Å; M205-R209 VanDerWaalsContact O-CG 3.25Å; M205-R209 WeakPolarHBondContact O-CG 3.41Å; M205-R209 PolarHBondContact O-N 3.05Å; D206-R209 PolarHBondContact O-N 3.35Å; D206-R209 IonicContact OD1-NH1 3.51Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.42Å; R209-F212 WeakPolarHBondContact O-CB 3.43Å; R209-F212 PolarHBondContact O-N 3.28Å; R209-D213 VanDerWaalsContact O-CG 3.25Å; R209-D213 PolarHBondContact O-N 3.25Å |
| 210 | R | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 173.8 | 175.4 | 59.1 | -167.6 | 109 | -6.8 | 112.4 | S29 I30 S31 G34 D206 D207 V208 D213 L214 V261 E262 I265 | S29-R210 PolarHBondContact O-NH1 3.23Å; I30-R210 PolarHBondContact O-NH2 3.25Å; S31-R210 PolarHBondContact O-NH2 3.26Å; G34-R210 VanDerWaalsContact CA-CZ 3.48Å; G34-R210 VanDerWaalsContact N-CZ 3.33Å; D206-R210 VanDerWaalsContact O-CB 3.22Å; D206-R210 WeakPolarHBondContact O-CB 3.19Å; D206-R210 PolarHBondContact O-N 3.28Å; D207-R210 WeakPolarHBondContact O-CB 3.22Å; D207-R210 PolarHBondContact O-N 3.28Å; V208-R210 VanDerWaalsContact C-N 3.27Å; V208-R210 PolarHBondContact O-N 2.93Å; R210-D213 WeakPolarHBondContact O-CB 3.32Å; R210-L214 PolarHBondContact O-N 3.43Å; R210-V261 HydrophobicContact CB-CG1 4.4Å; R210-V261 HydrophobicContact CG-CG1 3.98Å; R210-V261 HydrophobicContact CG-CG2 4.32Å; R210-E262 WeakPolarHBondContact CD-OE1 3.47Å; R210-E262 IonicContact CZ-OE1 2.96Å; R210-E262 IonicContact NE-OE1 3.99Å; R210-E262 PolarHBondContact NE-OE1 3.01Å; R210-E262 IonicContact NH2-OE1 2.9Å; R210-E262 IonicContact NH2-OE2 3.75Å; R210-I265 HydrophobicContact CG-CD1 3.85Å; R210-I265 VanDerWaalsContact CZ-CD1 3.48Å |
| 211 | L | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.8 | -37.1 | 171.5 | -74 | -178.2 | 0 | 0 | 0 | 112.4 | F198 L202 D207 V208 R209 D213 L214 F215 V226 V261 I265 | F198-L211 HydrophobicContact CB-CD1 3.75Å; F198-L211 HydrophobicContact CD2-CD1 3.96Å; F198-L211 HydrophobicContact CG-CD1 3.91Å; L202-L211 HydrophobicContact CD1-CD1 3.51Å; L202-L211 HydrophobicContact CD1-CG 4.43Å; D207-L211 PolarHBondContact O-N 3.46Å; V208-L211 WeakPolarHBondContact O-CB 3.48Å; V208-L211 PolarHBondContact O-N 3.25Å; V208-L211 VanDerWaalsContact O-N 3.12Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.42Å; L211-D213 VanDerWaalsContact C-N 3.3Å; L211-D213 PolarHBondContact O-N 3.31Å; L211-L214 WeakPolarHBondContact O-CA 3.29Å; L211-L214 WeakPolarHBondContact O-CB 3.32Å; L211-L214 PolarHBondContact O-N 2.82Å; L211-L214 VanDerWaalsContact O-N 3.09Å; L211-F215 HydrophobicContact CB-CD2 4.29Å; L211-F215 HydrophobicContact CB-CE2 3.65Å; L211-F215 HydrophobicContact CB-CZ 4.01Å; L211-F215 HydrophobicContact CD1-CE2 4.45Å; L211-F215 HydrophobicContact CD1-CZ 4.37Å; L211-F215 HydrophobicContact CD2-CZ 4.26Å; L211-F215 HydrophobicContact CG-CZ 4.46Å; L211-F215 WeakPolarHBondContact O-CD2 3.22Å; L211-F215 VanDerWaalsContact O-CG 3.27Å; L211-F215 WeakPolarHBondContact O-CG 3.25Å; L211-F215 PolarHBondContact O-N 3.48Å; L211-V226 HydrophobicContact CD2-CG1 4.23Å; L211-V226 HydrophobicContact CD2-CG2 4.48Å; L211-V261 HydrophobicContact CD1-CG2 4.39Å; L211-V261 HydrophobicContact CD2-CG2 3.84Å; L211-V261 HydrophobicContact CG-CG2 3.71Å; L211-I265 HydrophobicContact CD2-CD1 3.92Å; L211-I265 HydrophobicContact CD2-CG1 3.7Å |
| 212 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 174.5 | -83.8 | -127.6 | 0 | 0 | 0 | 111.6 | W45 I122 V125 F126 W197 A199 V208 R209 L214 F215 L216 | W45-F212 HydrophobicContact CH2-CB 3.97Å; W45-F212 HydrophobicContact CH2-CD1 4.18Å; W45-F212 HydrophobicContact CH2-CG 4.42Å; W45-F212 HydrophobicContact CZ2-CB 3.62Å; I122-F212 HydrophobicContact CD1-CE1 4.46Å; I122-F212 HydrophobicContact CD1-CZ 3.75Å; I122-F212 HydrophobicContact CG2-CE1 4.47Å; V125-F212 HydrophobicContact CB-CD1 4.34Å; V125-F212 HydrophobicContact CB-CE1 3.73Å; V125-F212 HydrophobicContact CB-CZ 3.81Å; V125-F212 HydrophobicContact CG1-CD1 3.58Å; V125-F212 HydrophobicContact CG1-CD2 4.23Å; V125-F212 HydrophobicContact CG1-CE1 3.47Å; V125-F212 VanDerWaalsContact CG1-CE1 3.47Å; V125-F212 HydrophobicContact CG1-CE2 4.14Å; V125-F212 HydrophobicContact CG1-CG 3.96Å; V125-F212 HydrophobicContact CG1-CZ 3.76Å; V125-F212 HydrophobicContact CG2-CE1 4.33Å; V125-F212 HydrophobicContact CG2-CE2 4.31Å; V125-F212 HydrophobicContact CG2-CZ 3.89Å; F126-F212 HydrophobicContact CD2-CE1 4.2Å; F126-F212 HydrophobicContact CE2-CD1 4.13Å; F126-F212 AromaticContact CE2-CE1 3.79Å; F126-F212 HydrophobicContact CE2-CE1 3.79Å; F126-F212 HydrophobicContact CZ-CD1 4.23Å; F126-F212 HydrophobicContact CZ-CE1 4.35Å; W197-F212 HydrophobicContact CB-CD2 4.33Å; W197-F212 HydrophobicContact CB-CE2 3.57Å; W197-F212 HydrophobicContact CB-CZ 3.89Å; W197-F212 HydrophobicContact CD2-CZ 4.44Å; W197-F212 AromaticContact CE3-CD1 3.87Å; W197-F212 HydrophobicContact CE3-CD1 3.87Å; W197-F212 HydrophobicContact CE3-CD2 4.16Å; W197-F212 AromaticContact CE3-CE1 3.75Å; W197-F212 HydrophobicContact CE3-CE1 3.75Å; W197-F212 HydrophobicContact CE3-CE2 4.07Å; W197-F212 HydrophobicContact CE3-CG 4.09Å; W197-F212 AromaticContact CE3-CZ 3.87Å; W197-F212 HydrophobicContact CE3-CZ 3.87Å; W197-F212 HydrophobicContact CG-CE2 4.5Å; W197-F212 HydrophobicContact CZ3-CD1 4.2Å; W197-F212 HydrophobicContact CZ3-CE1 4.34Å; A199-F212 HydrophobicContact CB-CE2 4.47Å; V208-F212 HydrophobicContact CG1-CD2 4.03Å; V208-F212 HydrophobicContact CG1-CE2 3.76Å; V208-F212 WeakPolarHBondContact O-CD2 3.38Å; V208-F212 PolarHBondContact O-N 2.87Å; R209-F212 WeakPolarHBondContact O-CB 3.43Å; R209-F212 PolarHBondContact O-N 3.28Å; F212-L214 VanDerWaalsContact C-N 3.26Å; F212-L214 PolarHBondContact O-N 2.94Å; F212-F215 PolarHBondContact O-N 3.17Å; F212-L216 WeakPolarHBondContact O-CB 3.47Å; F212-L216 VanDerWaalsContact O-CG 3.23Å; F212-L216 WeakPolarHBondContact O-CG 3.41Å; F212-L216 PolarHBondContact O-N 3.2Å |
| 213 | D | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.6 | -47.1 | 171.5 | -60.3 | -24.6 | 0 | 0 | 0 | 110.6 | S29 L35 R41 W45 R209 R210 L211 A217 | S29-D213 WeakPolarHBondContact CB-O 3.27Å; L35-D213 HydrophobicContact CD1-CB 4.41Å; L35-D213 WeakPolarHBondContact CD1-OD1 3.4Å; L35-D213 HydrophobicContact CG-CB 4.22Å; L35-D213 PolarHBondContact N-OD2 3.45Å; R41-D213 WeakPolarHBondContact CD-OD1 3.28Å; R41-D213 WeakPolarHBondContact CG-OD1 3.35Å; R41-D213 IonicContact CZ-OD1 3.85Å; R41-D213 IonicContact CZ-OD2 2.77Å; R41-D213 IonicContact NE-OD1 3.64Å; R41-D213 PolarHBondContact NE-OD1 3.45Å; R41-D213 IonicContact NE-OD2 2.8Å; R41-D213 PolarHBondContact NE-OD2 3.45Å; R41-D213 IonicContact NH2-OD2 3.84Å; R41-D213 PolarHBondContact NH2-OD2 2.93Å; W45-D213 PolarHBondContact NE1-OD1 2.88Å; R209-D213 VanDerWaalsContact O-CG 3.25Å; R209-D213 PolarHBondContact O-N 3.25Å; R210-D213 WeakPolarHBondContact O-CB 3.32Å; L211-D213 VanDerWaalsContact C-N 3.3Å; L211-D213 PolarHBondContact O-N 3.31Å; D213-A217 WeakPolarHBondContact O-CB 3.47Å; D213-A217 PolarHBondContact O-N 3.47Å |
| 214 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -50.9 | 178 | 176.4 | 70.1 | 0 | 0 | 0 | 111.8 | I30 R210 L211 F212 L216 A217 T218 M222 V226 I265 L269 | I30-L214 HydrophobicContact CG1-CD1 4.21Å; I30-L214 HydrophobicContact CG2-CD1 4.41Å; R210-L214 PolarHBondContact O-N 3.43Å; L211-L214 WeakPolarHBondContact O-CA 3.29Å; L211-L214 WeakPolarHBondContact O-CB 3.32Å; L211-L214 PolarHBondContact O-N 2.82Å; L211-L214 VanDerWaalsContact O-N 3.09Å; F212-L214 VanDerWaalsContact C-N 3.26Å; F212-L214 PolarHBondContact O-N 2.94Å; L214-L216 VanDerWaalsContact C-N 3.33Å; L214-L216 PolarHBondContact O-N 3.18Å; L214-A217 PolarHBondContact O-N 2.97Å; L214-A217 VanDerWaalsContact O-N 3.13Å; L214-T218 HydrophobicContact CD1-CG2 3.87Å; L214-T218 WeakPolarHBondContact O-CB 3.18Å; L214-T218 WeakPolarHBondContact O-CG2 3.36Å; L214-T218 PolarHBondContact O-N 3.24Å; L214-T218 VanDerWaalsContact O-N 3.14Å; L214-T218 PolarHBondContact O-OG1 2.92Å; L214-M222 HydrophobicContact CD1-CG 4.42Å; L214-M222 HydrophobicContact CD2-CG 3.84Å; L214-M222 HydrophobicContact CD2-SD 4.18Å; L214-M222 HydrophobicContact CG-CG 3.89Å; L214-V226 HydrophobicContact CD2-CG2 3.9Å; L214-I265 HydrophobicContact CD1-CG2 4.46Å; L214-I265 HydrophobicContact CD2-CG1 4.01Å; L214-I265 HydrophobicContact CD2-CG2 4.13Å; L214-L269 HydrophobicContact CD1-CD2 4.2Å |
| 215 | F | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.3 | -34.3 | -175.4 | -58.9 | -37.8 | 0 | 0 | 0 | 112.9 | W197 F198 L211 F212 A217 M222 L223 V226 | W197-F215 HydrophobicContact CB-CD2 4.07Å; W197-F215 HydrophobicContact CB-CE2 4.01Å; W197-F215 HydrophobicContact CD2-CD2 4.03Å; W197-F215 HydrophobicContact CE3-CB 4.1Å; W197-F215 AromaticContact CE3-CD2 3.86Å; W197-F215 HydrophobicContact CE3-CD2 3.86Å; W197-F215 HydrophobicContact CE3-CG 4.42Å; W197-F215 HydrophobicContact CG-CD2 4.19Å; W197-F215 HydrophobicContact CG-CE2 4.47Å; W197-F215 HydrophobicContact CH2-CB 4.21Å; W197-F215 HydrophobicContact CZ3-CB 3.91Å; F198-F215 HydrophobicContact CD2-CE2 4.15Å; F198-F215 AromaticContact CD2-CZ 3.87Å; F198-F215 HydrophobicContact CD2-CZ 3.87Å; F198-F215 HydrophobicContact CE2-CZ 4Å; L211-F215 HydrophobicContact CB-CD2 4.29Å; L211-F215 HydrophobicContact CB-CE2 3.65Å; L211-F215 HydrophobicContact CB-CZ 4.01Å; L211-F215 HydrophobicContact CD1-CE2 4.45Å; L211-F215 HydrophobicContact CD1-CZ 4.37Å; L211-F215 HydrophobicContact CD2-CZ 4.26Å; L211-F215 HydrophobicContact CG-CZ 4.46Å; L211-F215 WeakPolarHBondContact O-CD2 3.22Å; L211-F215 VanDerWaalsContact O-CG 3.27Å; L211-F215 WeakPolarHBondContact O-CG 3.25Å; L211-F215 PolarHBondContact O-N 3.48Å; F212-F215 PolarHBondContact O-N 3.17Å; F215-A217 VanDerWaalsContact C-N 3.3Å; F215-A217 PolarHBondContact O-N 3.49Å; F215-M222 HydrophobicContact CD1-CB 4.16Å; F215-M222 HydrophobicContact CD1-CG 3.98Å; F215-M222 HydrophobicContact CE1-CG 4.14Å; F215-L223 HydrophobicContact CD1-CD2 4.01Å; F215-L223 HydrophobicContact CD1-CG 4.36Å; F215-L223 HydrophobicContact CD2-CD2 3.9Å; F215-L223 HydrophobicContact CE1-CD2 3.75Å; F215-L223 HydrophobicContact CE1-CG 4.32Å; F215-L223 HydrophobicContact CE2-CD2 3.62Å; F215-L223 HydrophobicContact CG-CD2 4.1Å; F215-L223 HydrophobicContact CZ-CD2 3.56Å; F215-V226 HydrophobicContact CE1-CB 4.38Å; F215-V226 HydrophobicContact CE1-CG2 3.79Å; F215-V226 HydrophobicContact CZ-CB 4.47Å; F215-V226 HydrophobicContact CZ-CG2 4.2Å |
| 216 | L | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74.2 | -22.6 | 176.3 | -65.3 | 176.4 | 0 | 0 | 0 | 113.1 | R26 W45 L48 V49 F126 L142 W197 F212 L214 | R26-L216 PolarHBondContact NH1-O 3.23Å; W45-L216 HydrophobicContact CB-CD1 4.1Å; W45-L216 HydrophobicContact CD2-CD1 3.69Å; W45-L216 HydrophobicContact CE3-CD1 4.35Å; W45-L216 HydrophobicContact CG-CD1 3.57Å; L48-L216 HydrophobicContact CD1-CB 4.34Å; V49-L216 HydrophobicContact CG2-CD2 3.82Å; F126-L216 HydrophobicContact CE1-CD1 4.27Å; F126-L216 HydrophobicContact CZ-CD1 4.48Å; F126-L216 HydrophobicContact CZ-CD2 4.22Å; L142-L216 HydrophobicContact CD1-CD2 3.72Å; L142-L216 HydrophobicContact CD2-CD2 3.88Å; L142-L216 HydrophobicContact CG-CD2 4.45Å; W197-L216 HydrophobicContact CH2-CD2 4.3Å; W197-L216 HydrophobicContact CZ3-CD2 4.17Å; F212-L216 WeakPolarHBondContact O-CB 3.47Å; F212-L216 VanDerWaalsContact O-CG 3.23Å; F212-L216 WeakPolarHBondContact O-CG 3.41Å; F212-L216 PolarHBondContact O-N 3.2Å; L214-L216 VanDerWaalsContact C-N 3.33Å; L214-L216 PolarHBondContact O-N 3.18Å |
| 217 | A | 98 | Very high | 98.1 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 5% | 0.05 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -92.6 | -16.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R26 I30 L48 D213 L214 F215 | R26-A217 HydrophobicContact CB-CB 4.26Å; R26-A217 HydrophobicContact CG-CB 4.25Å; R26-A217 PolarHBondContact NH1-O 3.02Å; R26-A217 VanDerWaalsContact NH1-O 3.07Å; I30-A217 HydrophobicContact CD1-CB 4.39Å; I30-A217 HydrophobicContact CG1-CB 3.98Å; L48-A217 HydrophobicContact CD1-CB 4.49Å; D213-A217 WeakPolarHBondContact O-CB 3.47Å; D213-A217 PolarHBondContact O-N 3.47Å; L214-A217 PolarHBondContact O-N 2.97Å; L214-A217 VanDerWaalsContact O-N 3.13Å; F215-A217 VanDerWaalsContact C-N 3.3Å; F215-A217 PolarHBondContact O-N 3.49Å |
| 218 | T | 97.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 10.9 Ų | 10.9 | 13% | 0.129 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -121.6 | 179.1 | -171.8 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | I30 L214 M222 | I30-T218 HydrophobicContact CD1-CG2 3.63Å; I30-T218 HydrophobicContact CG1-CG2 3.65Å; L214-T218 HydrophobicContact CD1-CG2 3.87Å; L214-T218 WeakPolarHBondContact O-CB 3.18Å; L214-T218 WeakPolarHBondContact O-CG2 3.36Å; L214-T218 PolarHBondContact O-N 3.24Å; L214-T218 VanDerWaalsContact O-N 3.14Å; L214-T218 PolarHBondContact O-OG1 2.92Å; T218-M222 HydrophobicContact CG2-CE 3.97Å; T218-M222 VanDerWaalsContact OG1-CB 3.29Å; T218-M222 WeakPolarHBondContact OG1-CB 3.37Å; T218-M222 WeakPolarHBondContact OG1-CG 3.41Å |
| 219 | D | 95.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 10.8 Ų | 10.8 | 43% | 0.433 | 6% | 0.059 | S | C | . | . | trans | -64.7 | 144.8 | 175.8 | -65 | -87.9 | 0 | 0 | 0 | 111.7 | I221 M222 Y272 | D219-I221 HydrophobicContact CB-CG2 3.92Å; D219-I221 PolarHBondContact O-N 2.95Å; D219-M222 VanDerWaalsContact O-CB 3.22Å; D219-M222 WeakPolarHBondContact O-CB 3.44Å; D219-M222 PolarHBondContact O-N 3.21Å; D219-Y272 PolarHBondContact OD2-OH 3.18Å | ||
| 220 | P | 96.3 | Very high | 98.2 | Very high | 49 Ų | 49 | 9.4 Ų | 9.4 | 32% | 0.318 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.2 | -177.9 | -26.9 | 32.9 | 0 | 0 | 0 | 114.5 | M222 | P220-M222 PolarHBondContact O-N 3.25Š|
| 221 | I | 96.9 | Very high | 98.2 | Very high | 14 Ų | 14 | 9 Ų | 9 | 7% | 0.072 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.5 | 177.3 | -165.3 | 165.5 | 0 | 0 | 0 | 113.5 | L164 D219 L223 V224 Y225 P277 L280 I281 | L164-I221 HydrophobicContact CD2-CD1 3.57Å; L164-I221 HydrophobicContact CD2-CG1 4.14Å; D219-I221 HydrophobicContact CB-CG2 3.92Å; D219-I221 PolarHBondContact O-N 2.95Å; I221-L223 PolarHBondContact O-N 3.34Å; I221-V224 HydrophobicContact CG1-CB 4.2Å; I221-V224 HydrophobicContact CG1-CG2 4.01Å; I221-V224 VanDerWaalsContact O-CB 3.3Å; I221-V224 WeakPolarHBondContact O-CB 3.39Å; I221-V224 PolarHBondContact O-N 3.01Å; I221-Y225 HydrophobicContact CG1-CE2 4.21Å; I221-Y225 HydrophobicContact CG2-CD2 4.46Å; I221-Y225 HydrophobicContact CG2-CE2 3.92Å; I221-Y225 WeakPolarHBondContact O-CD2 3.43Å; I221-P277 HydrophobicContact CG2-CB 4.01Å; I221-P277 HydrophobicContact CG2-CG 4.18Å; I221-L280 HydrophobicContact CD1-CB 4.38Å; I221-L280 HydrophobicContact CD1-CD2 3.71Å; I221-L280 HydrophobicContact CD1-CG 3.94Å; I221-L280 HydrophobicContact CG1-CD2 4.04Å; I221-I281 HydrophobicContact CD1-CD1 4.39Å; I221-I281 HydrophobicContact CD1-CG1 3.76Å |
| 222 | M | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -52.9 | -26.9 | 176.2 | -176.1 | 56.2 | 69.4 | 0 | 0 | 112.9 | L214 F215 T218 D219 P220 V224 Y225 V226 L269 Y272 | L214-M222 HydrophobicContact CD1-CG 4.42Å; L214-M222 HydrophobicContact CD2-CG 3.84Å; L214-M222 HydrophobicContact CD2-SD 4.18Å; L214-M222 HydrophobicContact CG-CG 3.89Å; F215-M222 HydrophobicContact CD1-CB 4.16Å; F215-M222 HydrophobicContact CD1-CG 3.98Å; F215-M222 HydrophobicContact CE1-CG 4.14Å; T218-M222 HydrophobicContact CG2-CE 3.97Å; T218-M222 VanDerWaalsContact OG1-CB 3.29Å; T218-M222 WeakPolarHBondContact OG1-CB 3.37Å; T218-M222 WeakPolarHBondContact OG1-CG 3.41Å; D219-M222 VanDerWaalsContact O-CB 3.22Å; D219-M222 WeakPolarHBondContact O-CB 3.44Å; D219-M222 PolarHBondContact O-N 3.21Å; P220-M222 PolarHBondContact O-N 3.25Å; M222-V224 PolarHBondContact O-N 3.12Å; M222-Y225 PolarHBondContact O-N 3.3Å; M222-Y225 VanDerWaalsContact O-N 3.16Å; M222-Y225 HydrophobicContact SD-CG 4.47Å; M222-V226 HydrophobicContact CG-CG2 4.42Å; M222-V226 PolarHBondContact O-N 3.18Å; M222-V226 HydrophobicContact SD-CG2 4.47Å; M222-L269 HydrophobicContact CE-CD2 4.16Å; M222-Y272 HydrophobicContact CE-CD1 4.45Å; M222-Y272 HydrophobicContact CE-CD2 3.26Å; M222-Y272 HydrophobicContact CE-CE2 3.56Å; M222-Y272 HydrophobicContact CE-CG 3.75Å; M222-Y272 HydrophobicContact SD-CD2 4.28Å |
| 223 | L | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -54.5 | -38.7 | 170.7 | -66.6 | 166.6 | 0 | 0 | 0 | 113.1 | F150 I194 W197 F215 I221 S227 | F150-L223 HydrophobicContact CZ-CD1 4.4Å; I194-L223 HydrophobicContact CD1-CB 3.88Å; W197-L223 HydrophobicContact CB-CD2 4.22Å; W197-L223 HydrophobicContact CD2-CD2 4.41Å; W197-L223 HydrophobicContact CG-CD2 3.83Å; F215-L223 HydrophobicContact CD1-CD2 4.01Å; F215-L223 HydrophobicContact CD1-CG 4.36Å; F215-L223 HydrophobicContact CD2-CD2 3.9Å; F215-L223 HydrophobicContact CE1-CD2 3.75Å; F215-L223 HydrophobicContact CE1-CG 4.32Å; F215-L223 HydrophobicContact CE2-CD2 3.62Å; F215-L223 HydrophobicContact CG-CD2 4.1Å; F215-L223 HydrophobicContact CZ-CD2 3.56Å; I221-L223 PolarHBondContact O-N 3.34Å; L223-S227 WeakPolarHBondContact O-CB 3.24Å; L223-S227 PolarHBondContact O-N 2.96Å; L223-S227 PolarHBondContact O-OG 3.3Å |
| 224 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.9 | -43.9 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | Y161 L164 I165 L168 I221 M222 S227 V228 L280 | Y161-V224 HydrophobicContact CE1-CG2 4.12Å; Y161-V224 HydrophobicContact CE2-CG2 4.32Å; L164-V224 HydrophobicContact CB-CG1 3.99Å; L164-V224 HydrophobicContact CB-CG2 4.07Å; I165-V224 HydrophobicContact CG1-CG1 4.01Å; L168-V224 HydrophobicContact CB-CG1 4.45Å; L168-V224 HydrophobicContact CD2-CG1 4.1Å; I221-V224 HydrophobicContact CG1-CB 4.2Å; I221-V224 HydrophobicContact CG1-CG2 4.01Å; I221-V224 VanDerWaalsContact O-CB 3.3Å; I221-V224 WeakPolarHBondContact O-CB 3.39Å; I221-V224 PolarHBondContact O-N 3.01Å; M222-V224 PolarHBondContact O-N 3.12Å; V224-S227 WeakPolarHBondContact O-CB 3.43Å; V224-S227 PolarHBondContact O-N 3.02Å; V224-V228 PolarHBondContact O-N 3.19Å; V224-L280 HydrophobicContact CG1-CD2 4.09Å |
| 225 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.6 | -69.4 | -88.3 | 0 | 0 | 0 | 112.2 | L168 I221 M222 S227 V228 A229 I271 Y272 L275 P277 L280 | L168-Y225 HydrophobicContact CD1-CE1 4.16Å; L168-Y225 HydrophobicContact CD2-CD1 3.64Å; L168-Y225 HydrophobicContact CD2-CE1 3.96Å; L168-Y225 HydrophobicContact CD2-CG 4.06Å; I221-Y225 HydrophobicContact CG1-CE2 4.21Å; I221-Y225 HydrophobicContact CG2-CD2 4.46Å; I221-Y225 HydrophobicContact CG2-CE2 3.92Å; I221-Y225 WeakPolarHBondContact O-CD2 3.43Å; M222-Y225 PolarHBondContact O-N 3.3Å; M222-Y225 VanDerWaalsContact O-N 3.16Å; M222-Y225 HydrophobicContact SD-CG 4.47Å; Y225-S227 VanDerWaalsContact C-N 3.32Å; Y225-S227 PolarHBondContact O-N 2.85Å; Y225-V228 PolarHBondContact O-N 2.96Å; Y225-A229 WeakPolarHBondContact O-CB 3.45Å; Y225-A229 PolarHBondContact O-N 2.6Å; Y225-I271 HydrophobicContact CD1-CB 4.24Å; Y225-I271 HydrophobicContact CD1-CG2 3.8Å; Y225-I271 HydrophobicContact CE1-CG2 4.15Å; Y225-Y272 HydrophobicContact CD1-CD2 4.12Å; Y225-Y272 AromaticContact CD2-CD2 3.72Å; Y225-Y272 HydrophobicContact CD2-CD2 3.72Å; Y225-Y272 HydrophobicContact CD2-CE2 4.32Å; Y225-Y272 VanDerWaalsContact CE1-CA 3.46Å; Y225-Y272 HydrophobicContact CE1-CD2 4.04Å; Y225-Y272 HydrophobicContact CE1-CG 4.43Å; Y225-Y272 AromaticContact CE2-CD2 3.6Å; Y225-Y272 HydrophobicContact CE2-CD2 3.6Å; Y225-Y272 AromaticContact CE2-CE2 3.99Å; Y225-Y272 HydrophobicContact CE2-CE2 3.99Å; Y225-Y272 AromaticContact CG-CD2 3.96Å; Y225-Y272 HydrophobicContact CG-CD2 3.96Å; Y225-Y272 AromaticContact CZ-CD2 3.75Å; Y225-L275 WeakPolarHBondContact CE1-O 3.1Å; Y225-L275 PolarHBondContact OH-O 3.12Å; Y225-P277 WeakPolarHBondContact OH-CA 3.27Å; Y225-L280 HydrophobicContact CD2-CD2 4.28Å; Y225-L280 HydrophobicContact CE1-CD2 4.15Å; Y225-L280 HydrophobicContact CE2-CD2 3.56Å |
| 226 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 174 | 176 | 0 | 0 | 0 | 0 | 111.2 | F198 L211 L214 F215 M222 V228 A229 I230 A268 | F198-V226 HydrophobicContact CD2-CG1 4.37Å; F198-V226 HydrophobicContact CE1-CG1 4.35Å; F198-V226 HydrophobicContact CE2-CB 4.09Å; F198-V226 HydrophobicContact CE2-CG1 3.68Å; F198-V226 HydrophobicContact CZ-CB 4.21Å; F198-V226 HydrophobicContact CZ-CG1 3.66Å; L211-V226 HydrophobicContact CD2-CG1 4.23Å; L211-V226 HydrophobicContact CD2-CG2 4.48Å; L214-V226 HydrophobicContact CD2-CG2 3.9Å; F215-V226 HydrophobicContact CE1-CB 4.38Å; F215-V226 HydrophobicContact CE1-CG2 3.79Å; F215-V226 HydrophobicContact CZ-CB 4.47Å; F215-V226 HydrophobicContact CZ-CG2 4.2Å; M222-V226 HydrophobicContact CG-CG2 4.42Å; M222-V226 PolarHBondContact O-N 3.18Å; M222-V226 HydrophobicContact SD-CG2 4.47Å; V226-V228 PolarHBondContact O-N 2.86Å; V226-A229 PolarHBondContact O-N 2.83Å; V226-I230 HydrophobicContact CG1-CD1 4.14Å; V226-I230 WeakPolarHBondContact O-CD1 3.33Å; V226-I230 WeakPolarHBondContact O-CG1 3.45Å; V226-I230 PolarHBondContact O-N 3.47Å; V226-I230 VanDerWaalsContact O-N 3.1Å; V226-A268 HydrophobicContact CB-CB 4.46Å; V226-A268 HydrophobicContact CG2-CB 3.83Å |
| 227 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | I194 L223 V224 Y225 I231 | I194-S227 WeakPolarHBondContact CD1-OG 3.35Å; L223-S227 WeakPolarHBondContact O-CB 3.24Å; L223-S227 PolarHBondContact O-N 2.96Å; L223-S227 PolarHBondContact O-OG 3.3Å; V224-S227 WeakPolarHBondContact O-CB 3.43Å; V224-S227 PolarHBondContact O-N 3.02Å; Y225-S227 VanDerWaalsContact C-N 3.32Å; Y225-S227 PolarHBondContact O-N 2.85Å; S227-I231 WeakPolarHBondContact O-CG1 3.27Å; S227-I231 PolarHBondContact O-N 3.21Å |
| 228 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.5 | -37.3 | 177 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | I165 L168 L169 V172 V224 Y225 V226 I230 I231 T232 I271 | I165-V228 HydrophobicContact CG2-CG2 3.91Å; I165-V228 WeakPolarHBondContact O-CG2 3.45Å; L168-V228 HydrophobicContact CB-CG2 3.89Å; L168-V228 HydrophobicContact CD2-CB 3.81Å; L168-V228 HydrophobicContact CD2-CG1 4.27Å; L168-V228 HydrophobicContact CD2-CG2 3.72Å; L168-V228 HydrophobicContact CG-CB 4.14Å; L168-V228 HydrophobicContact CG-CG1 4.11Å; L168-V228 HydrophobicContact CG-CG2 3.9Å; L169-V228 HydrophobicContact CB-CG2 4.5Å; L169-V228 HydrophobicContact CD1-CG1 4.16Å; V172-V228 HydrophobicContact CB-CG1 4.31Å; V172-V228 HydrophobicContact CG2-CG1 4.2Å; V224-V228 PolarHBondContact O-N 3.19Å; Y225-V228 PolarHBondContact O-N 2.96Å; V226-V228 PolarHBondContact O-N 2.86Å; V228-I230 VanDerWaalsContact C-N 3.28Å; V228-I230 PolarHBondContact O-N 3.14Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-I231 VanDerWaalsContact O-N 3.09Å; V228-T232 WeakPolarHBondContact O-CB 3.45Å; V228-T232 PolarHBondContact O-N 3.31Å; V228-T232 PolarHBondContact O-OG1 2.96Å; V228-I271 HydrophobicContact CG1-CD1 4.18Å |
| 229 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.5 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y225 V226 I231 T232 I233 L264 E267 A268 I271 | Y225-A229 WeakPolarHBondContact O-CB 3.45Å; Y225-A229 PolarHBondContact O-N 2.6Å; V226-A229 PolarHBondContact O-N 2.83Å; A229-I231 VanDerWaalsContact C-N 3.33Å; A229-I231 PolarHBondContact O-N 2.87Å; A229-T232 PolarHBondContact O-N 3.07Å; A229-I233 WeakPolarHBondContact O-CB 3.5Å; A229-I233 WeakPolarHBondContact O-CD1 3.46Å; A229-I233 VanDerWaalsContact O-CG1 3.24Å; A229-I233 WeakPolarHBondContact O-CG1 3.41Å; A229-I233 PolarHBondContact O-N 2.75Å; A229-L264 WeakPolarHBondContact CB-O 3.37Å; A229-E267 HydrophobicContact CB-CB 4.02Å; A229-E267 HydrophobicContact CB-CG 4.21Å; A229-A268 HydrophobicContact CB-CB 3.84Å; A229-I271 HydrophobicContact CB-CD1 4.27Å |
| 230 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 175.5 | -70.1 | 161.1 | 0 | 0 | 0 | 111.3 | W193 F198 V226 V228 S234 L255 P256 L264 | W193-I230 HydrophobicContact CH2-CG2 4.28Å; W193-I230 HydrophobicContact CZ3-CG2 4.36Å; F198-I230 HydrophobicContact CD1-CD1 4.02Å; F198-I230 HydrophobicContact CE1-CD1 3.21Å; F198-I230 HydrophobicContact CZ-CD1 3.79Å; V226-I230 HydrophobicContact CG1-CD1 4.14Å; V226-I230 WeakPolarHBondContact O-CD1 3.33Å; V226-I230 WeakPolarHBondContact O-CG1 3.45Å; V226-I230 PolarHBondContact O-N 3.47Å; V226-I230 VanDerWaalsContact O-N 3.1Å; V228-I230 VanDerWaalsContact C-N 3.28Å; V228-I230 PolarHBondContact O-N 3.14Å; I230-S234 PolarHBondContact O-N 3.4Å; I230-L255 HydrophobicContact CG2-CB 3.42Å; I230-L255 VanDerWaalsContact CG2-CB 3.42Å; I230-L255 HydrophobicContact CG2-CD1 4.38Å; I230-P256 HydrophobicContact CD1-CB 4.09Å; I230-P256 HydrophobicContact CD1-CG 4.11Å; I230-P256 HydrophobicContact CG2-CG 4.25Å; I230-L264 HydrophobicContact CB-CD2 4.35Å; I230-L264 HydrophobicContact CD1-CD1 4.17Å; I230-L264 HydrophobicContact CG1-CD1 3.78Å; I230-L264 HydrophobicContact CG1-CD2 3.54Å; I230-L264 HydrophobicContact CG1-CG 4.16Å |
| 231 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.2 | -44.6 | 179.5 | -64 | 167.2 | 0 | 0 | 0 | 110.6 | I165 L169 V176 F189 W193 S227 V228 A229 S234 A235 L252 | I165-I231 HydrophobicContact CG2-CD1 4.13Å; L169-I231 HydrophobicContact CD1-CB 4.39Å; L169-I231 HydrophobicContact CD1-CG2 3.72Å; L169-I231 HydrophobicContact CD2-CG2 4.15Å; V176-I231 HydrophobicContact CG1-CG2 3.55Å; F189-I231 HydrophobicContact CE2-CD1 4Å; F189-I231 HydrophobicContact CZ-CD1 3.9Å; W193-I231 HydrophobicContact CZ3-CG1 4.4Å; S227-I231 WeakPolarHBondContact O-CG1 3.27Å; S227-I231 PolarHBondContact O-N 3.21Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-I231 VanDerWaalsContact O-N 3.09Å; A229-I231 VanDerWaalsContact C-N 3.33Å; A229-I231 PolarHBondContact O-N 2.87Å; I231-S234 CarbonylContact O-C 3.24Å; I231-S234 VanDerWaalsContact O-C 3.24Å; I231-S234 PolarHBondContact O-N 3.36Å; I231-A235 WeakPolarHBondContact O-CA 3.5Å; I231-A235 PolarHBondContact O-N 3.45Å; I231-L252 HydrophobicContact CG1-CD2 4.35Å |
| 232 | T | 97.5 | Very high | 97.6 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | V172 V228 A229 S234 A235 | V172-T232 HydrophobicContact CG1-CG2 3.86Å; V172-T232 WeakPolarHBondContact CG1-OG1 3.47Å; V228-T232 WeakPolarHBondContact O-CB 3.45Å; V228-T232 PolarHBondContact O-N 3.31Å; V228-T232 PolarHBondContact O-OG1 2.96Å; A229-T232 PolarHBondContact O-N 3.07Å; T232-S234 PolarHBondContact O-N 2.86Å; T232-A235 WeakPolarHBondContact O-CB 3.35Å; T232-A235 PolarHBondContact O-N 2.91Å; T232-A235 VanDerWaalsContact O-N 3.12Å |
| 233 | I | 97.6 | Very high | 97.3 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 24% | 0.236 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | 177 | -66.1 | 161.4 | 0 | 0 | 0 | 110.5 | A229 H259 E263 L264 E267 | A229-I233 WeakPolarHBondContact O-CB 3.5Å; A229-I233 WeakPolarHBondContact O-CD1 3.46Å; A229-I233 VanDerWaalsContact O-CG1 3.24Å; A229-I233 WeakPolarHBondContact O-CG1 3.41Å; A229-I233 PolarHBondContact O-N 2.75Å; I233-H259 VanDerWaalsContact CG2-CE1 3.44Å; I233-H259 WeakPolarHBondContact CG2-CE1 3.29Å; I233-E263 HydrophobicContact CD1-CG 3.97Å; I233-L264 HydrophobicContact CD1-CD2 3.66Å; I233-E267 HydrophobicContact CD1-CB 3.82Å; I233-E267 HydrophobicContact CD1-CG 4.29Å; I233-E267 HydrophobicContact CG1-CB 4.15Å; I233-E267 HydrophobicContact CG1-CG 4.09Å |
| 234 | S | 97.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 15.3 | 175.8 | -84.2 | 0 | 0 | 0 | 0 | 114.5 | I230 I231 T232 K236 E237 V238 L255 H259 | I230-S234 PolarHBondContact O-N 3.4Å; I231-S234 CarbonylContact O-C 3.24Å; I231-S234 VanDerWaalsContact O-C 3.24Å; I231-S234 PolarHBondContact O-N 3.36Å; T232-S234 PolarHBondContact O-N 2.86Å; S234-K236 VanDerWaalsContact C-N 3.3Å; S234-K236 PolarHBondContact O-N 3.47Å; S234-E237 WeakPolarHBondContact O-CA 3.39Å; S234-E237 WeakPolarHBondContact O-CB 3.27Å; S234-E237 PolarHBondContact O-N 3.03Å; S234-V238 WeakPolarHBondContact O-CG2 3.43Å; S234-V238 PolarHBondContact O-N 3.07Å; S234-L255 WeakPolarHBondContact OG-CD2 3.23Å; S234-H259 PolarHBondContact OG-NE2 3Å |
| 235 | A | 97.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 43 Ų | 43 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -51.3 | -47.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | V176 I231 T232 E237 V238 E239 | V176-A235 HydrophobicContact CG2-CB 3.59Å; I231-A235 WeakPolarHBondContact O-CA 3.5Å; I231-A235 PolarHBondContact O-N 3.45Å; T232-A235 WeakPolarHBondContact O-CB 3.35Å; T232-A235 PolarHBondContact O-N 2.91Å; T232-A235 VanDerWaalsContact O-N 3.12Å; A235-E237 VanDerWaalsContact C-N 3.28Å; A235-E237 PolarHBondContact O-N 3.43Å; A235-V238 PolarHBondContact O-N 3.34Å; A235-E239 WeakPolarHBondContact O-CB 3.32Å; A235-E239 WeakPolarHBondContact O-CG 3.31Å; A235-E239 PolarHBondContact O-N 2.76Å |
| 236 | K | 96.5 | Very high | 96.9 | Very high | 177 Ų | 177 | 46 Ų | 46 | 77% | 0.77 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.4 | -39.8 | 178.3 | -176.2 | 178.1 | 179.9 | -179.8 | 0 | 112.7 | S234 S240 | S234-K236 VanDerWaalsContact C-N 3.3Å; S234-K236 PolarHBondContact O-N 3.47Å; K236-S240 WeakPolarHBondContact O-CB 3.49Å; K236-S240 PolarHBondContact O-N 3.32Å; K236-S240 PolarHBondContact O-OG 3.41Å |
| 237 | E | 96.5 | Very high | 96.8 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 179.2 | -175.2 | 170.9 | -164.5 | 0 | 0 | 111 | S234 A235 S240 T241 T251 R254 L258 | S234-E237 WeakPolarHBondContact O-CA 3.39Å; S234-E237 WeakPolarHBondContact O-CB 3.27Å; S234-E237 PolarHBondContact O-N 3.03Å; A235-E237 VanDerWaalsContact C-N 3.28Å; A235-E237 PolarHBondContact O-N 3.43Å; E237-S240 WeakPolarHBondContact CA-OG 3.24Å; E237-S240 PolarHBondContact O-N 2.97Å; E237-S240 PolarHBondContact O-OG 3.23Å; E237-T241 PolarHBondContact O-N 3Å; E237-T241 VanDerWaalsContact O-N 3.13Å; E237-T241 PolarHBondContact O-OG1 3.35Å; E237-T251 HydrophobicContact CG-CG2 4.14Å; E237-R254 IonicContact OE1-CZ 3.82Å; E237-R254 IonicContact OE1-NH1 3.81Å; E237-R254 PolarHBondContact OE1-NH1 3.5Å; E237-R254 IonicContact OE1-NH2 3.72Å; E237-R254 PolarHBondContact OE1-NH2 3.41Å; E237-L258 WeakPolarHBondContact OE2-CD1 3.49Å |
| 238 | V | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | V176 I180 S234 A235 S240 T241 L248 L252 L255 | V176-V238 HydrophobicContact CG1-CB 4.26Å; V176-V238 HydrophobicContact CG1-CG1 3.83Å; I180-V238 HydrophobicContact CG1-CG1 4.23Å; S234-V238 WeakPolarHBondContact O-CG2 3.43Å; S234-V238 PolarHBondContact O-N 3.07Å; A235-V238 PolarHBondContact O-N 3.34Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 3.18Å; V238-T241 WeakPolarHBondContact O-CB 3.36Å; V238-T241 PolarHBondContact O-N 3.34Å; V238-L248 HydrophobicContact CG1-CD1 3.91Å; V238-L252 HydrophobicContact CG1-CD2 4.19Å; V238-L252 HydrophobicContact CG2-CD2 3.9Å; V238-L255 HydrophobicContact CG2-CD1 3.89Å |
| 239 | E | 96.7 | Very high | 96.6 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -29.6 | -179.6 | -68.6 | 174.7 | 147.5 | 0 | 0 | 113.1 | S175 V176 A235 T241 | S175-E239 WeakPolarHBondContact CB-OE1 3.38Å; S175-E239 PolarHBondContact OG-OE1 2.8Å; V176-E239 HydrophobicContact CG2-CG 3.96Å; A235-E239 WeakPolarHBondContact O-CB 3.32Å; A235-E239 WeakPolarHBondContact O-CG 3.31Å; A235-E239 PolarHBondContact O-N 2.76Å; E239-T241 VanDerWaalsContact C-N 3.32Å |
| 240 | S | 96.5 | Very high | 96.5 | Very high | 86 Ų | 86 | 58 Ų | 58 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -81.1 | -10.9 | 176 | 72 | 0 | 0 | 0 | 0 | 114 | K236 E237 V238 | K236-S240 WeakPolarHBondContact O-CB 3.49Å; K236-S240 PolarHBondContact O-N 3.32Å; K236-S240 PolarHBondContact O-OG 3.41Å; E237-S240 WeakPolarHBondContact CA-OG 3.24Å; E237-S240 PolarHBondContact O-N 2.97Å; E237-S240 PolarHBondContact O-OG 3.23Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 3.18Å |
| 241 | T | 96.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.5 | 134.4 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 108.9 | E237 V238 E239 L243 L247 L248 T251 | E237-T241 PolarHBondContact O-N 3Å; E237-T241 VanDerWaalsContact O-N 3.13Å; E237-T241 PolarHBondContact O-OG1 3.35Å; V238-T241 WeakPolarHBondContact O-CB 3.36Å; V238-T241 PolarHBondContact O-N 3.34Å; E239-T241 VanDerWaalsContact C-N 3.32Å; T241-L243 PolarHBondContact O-N 3.46Å; T241-L247 HydrophobicContact CG2-CB 4.13Å; T241-L248 HydrophobicContact CG2-CB 4.36Å; T241-L248 HydrophobicContact CG2-CD1 4.03Å; T241-T251 PolarHBondContact OG1-OG1 3.09Å |
| 242 | P | 94.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | trans | -51.9 | 143 | 174.6 | -27 | 35.1 | 0 | 0 | 0 | 111.4 | D244 L247 | P242-D244 PolarHBondContact O-N 2.81Å; P242-L247 HydrophobicContact CB-CD1 4.09Å; P242-L247 HydrophobicContact CG-CD1 4.14Å | ||
| 243 | L | 92.4 | Very high | 96.3 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -71.9 | 69.7 | 179 | -59.4 | -177.8 | 0 | 0 | 0 | 110.9 | V183 T241 | V183-L243 HydrophobicContact CG1-CB 4.08Å; T241-L243 PolarHBondContact O-N 3.46Å |
| 244 | D | 96.2 | Very high | 96.1 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | trans | -131.3 | 131.8 | 176.6 | 173.9 | -91.1 | 0 | 0 | 0 | 108.5 | P242 A246 L247 L248 | P242-D244 PolarHBondContact O-N 2.81Å; D244-A246 VanDerWaalsContact C-N 3.34Å; D244-A246 PolarHBondContact O-N 3.49Å; D244-A246 WeakPolarHBondContact OD1-CB 3.47Å; D244-A246 PolarHBondContact OD1-N 3.36Å; D244-L247 HydrophobicContact CB-CB 4.17Å; D244-L247 HydrophobicContact CB-CD1 4.06Å; D244-L247 HydrophobicContact CB-CG 4.19Å; D244-L247 PolarHBondContact O-N 3Å; D244-L247 PolarHBondContact OD1-N 3.33Å; D244-L248 VanDerWaalsContact O-CB 3.31Å; D244-L248 WeakPolarHBondContact O-CB 3.34Å; D244-L248 PolarHBondContact O-N 2.95Å | ||
| 245 | F | 95.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 47% | 0.469 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.6 | -47 | -176.2 | 177.4 | -83.5 | 0 | 0 | 0 | 112.3 | V183 L185 Y249 | V183-F245 WeakPolarHBondContact O-CD2 3.42Å; L185-F245 HydrophobicContact CB-CD2 4.21Å; L185-F245 HydrophobicContact CB-CE2 4.16Å; L185-F245 HydrophobicContact CD1-CD2 4.3Å; L185-F245 HydrophobicContact CD1-CE2 3.61Å; L185-F245 HydrophobicContact CD1-CZ 3.84Å; L185-F245 HydrophobicContact CG-CE2 4.48Å; F245-Y249 WeakPolarHBondContact O-CB 3.22Å; F245-Y249 PolarHBondContact O-N 3.43Å |
| 246 | A | 96 | Very high | 96 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.8 | -42.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D244 Q250 | D244-A246 VanDerWaalsContact C-N 3.34Å; D244-A246 PolarHBondContact O-N 3.49Å; D244-A246 WeakPolarHBondContact OD1-CB 3.47Å; D244-A246 PolarHBondContact OD1-N 3.36Å; A246-Q250 WeakPolarHBondContact O-CB 3.19Å; A246-Q250 PolarHBondContact O-N 2.95Å |
| 247 | L | 96.8 | Very high | 95.9 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.3 | -66.8 | 179.2 | 0 | 0 | 0 | 111.4 | T241 P242 D244 Q250 T251 | T241-L247 HydrophobicContact CG2-CB 4.13Å; P242-L247 HydrophobicContact CB-CD1 4.09Å; P242-L247 HydrophobicContact CG-CD1 4.14Å; D244-L247 HydrophobicContact CB-CB 4.17Å; D244-L247 HydrophobicContact CB-CD1 4.06Å; D244-L247 HydrophobicContact CB-CG 4.19Å; D244-L247 PolarHBondContact O-N 3Å; D244-L247 PolarHBondContact OD1-N 3.33Å; L247-Q250 PolarHBondContact O-N 3.23Å; L247-T251 WeakPolarHBondContact O-CB 3.48Å; L247-T251 PolarHBondContact O-N 2.69Å; L247-T251 PolarHBondContact O-OG1 3.1Å |
| 248 | L | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 179.7 | -168.6 | 59.2 | 0 | 0 | 0 | 111.9 | S179 I180 V183 L185 V238 T241 D244 Q250 T251 L252 | S179-L248 WeakPolarHBondContact O-CD2 3.18Å; I180-L248 HydrophobicContact CG1-CD2 4.32Å; V183-L248 HydrophobicContact CG2-CD2 3.62Å; L185-L248 HydrophobicContact CD2-CB 4.45Å; L185-L248 HydrophobicContact CD2-CD2 4.41Å; L185-L248 HydrophobicContact CD2-CG 4.22Å; V238-L248 HydrophobicContact CG1-CD1 3.91Å; T241-L248 HydrophobicContact CG2-CB 4.36Å; T241-L248 HydrophobicContact CG2-CD1 4.03Å; D244-L248 VanDerWaalsContact O-CB 3.31Å; D244-L248 WeakPolarHBondContact O-CB 3.34Å; D244-L248 PolarHBondContact O-N 2.95Å; L248-Q250 VanDerWaalsContact C-N 3.34Å; L248-Q250 PolarHBondContact O-N 3.34Å; L248-T251 PolarHBondContact O-N 2.71Å; L248-L252 HydrophobicContact CD1-CD1 4.48Å; L248-L252 HydrophobicContact CG-CD1 4.04Å; L248-L252 WeakPolarHBondContact O-CB 3.48Å; L248-L252 WeakPolarHBondContact O-CG 2.92Å; L248-L252 PolarHBondContact O-N 3.15Å |
| 249 | Y | 96.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 173.7 | -177.1 | -83.5 | 0 | 0 | 0 | 111.6 | L185 F189 F245 L252 A253 F332 | L185-Y249 HydrophobicContact CD1-CD2 3.72Å; F189-Y249 HydrophobicContact CB-CD2 3.84Å; F189-Y249 HydrophobicContact CB-CE2 3.72Å; F245-Y249 WeakPolarHBondContact O-CB 3.22Å; F245-Y249 PolarHBondContact O-N 3.43Å; Y249-L252 PolarHBondContact O-N 3.31Å; Y249-A253 WeakPolarHBondContact O-CB 3.11Å; Y249-A253 PolarHBondContact O-N 3.15Å; Y249-F332 AromaticContact CE1-CE1 3.83Å; Y249-F332 HydrophobicContact CE1-CE1 3.83Å; Y249-F332 AromaticContact CE1-CZ 3.57Å; Y249-F332 HydrophobicContact CE1-CZ 3.57Å; Y249-F332 AromaticContact CZ-CZ 3.89Å; Y249-F332 WeakPolarHBondContact OH-CZ 3.4Å |
| 250 | Q | 95.7 | Very high | 95.6 | Very high | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 179.5 | -173.8 | -178.9 | 13.7 | 0 | 0 | 112 | A246 L247 L248 R254 | A246-Q250 WeakPolarHBondContact O-CB 3.19Å; A246-Q250 PolarHBondContact O-N 2.95Å; L247-Q250 PolarHBondContact O-N 3.23Å; L248-Q250 VanDerWaalsContact C-N 3.34Å; L248-Q250 PolarHBondContact O-N 3.34Å; Q250-R254 WeakPolarHBondContact O-CG 3.37Å; Q250-R254 PolarHBondContact O-N 3.48Å |
| 251 | T | 96.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.086 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -51.3 | 175 | -73.2 | 0 | 0 | 0 | 0 | 110.7 | E237 T241 L247 L248 R254 L255 | E237-T251 HydrophobicContact CG-CG2 4.14Å; T241-T251 PolarHBondContact OG1-OG1 3.09Å; L247-T251 WeakPolarHBondContact O-CB 3.48Å; L247-T251 PolarHBondContact O-N 2.69Å; L247-T251 PolarHBondContact O-OG1 3.1Å; L248-T251 PolarHBondContact O-N 2.71Å; T251-R254 WeakPolarHBondContact O-CG 3.31Å; T251-R254 PolarHBondContact O-N 3.03Å; T251-L255 HydrophobicContact CG2-CD2 4.22Å; T251-L255 WeakPolarHBondContact O-CD2 3.39Å; T251-L255 VanDerWaalsContact O-CG 3.3Å; T251-L255 WeakPolarHBondContact O-CG 2.85Å |
| 252 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -52 | -179.9 | -72.2 | 164 | 0 | 0 | 0 | 111.1 | I180 L185 F189 W193 I231 V238 L248 Y249 R254 L255 | I180-L252 HydrophobicContact CD1-CD1 4.1Å; I180-L252 HydrophobicContact CD1-CD2 4.06Å; I180-L252 HydrophobicContact CG1-CD1 4.12Å; L185-L252 HydrophobicContact CD2-CD1 3.56Å; F189-L252 HydrophobicContact CB-CB 4.35Å; F189-L252 HydrophobicContact CD1-CD1 3.82Å; F189-L252 HydrophobicContact CD2-CB 3.66Å; F189-L252 HydrophobicContact CD2-CD1 4.27Å; F189-L252 HydrophobicContact CD2-CG 4.42Å; F189-L252 HydrophobicContact CE1-CD1 3.83Å; F189-L252 HydrophobicContact CE2-CB 4.07Å; F189-L252 HydrophobicContact CE2-CD1 4.29Å; F189-L252 HydrophobicContact CE2-CD2 4.2Å; F189-L252 HydrophobicContact CE2-CG 4.43Å; F189-L252 HydrophobicContact CG-CB 3.95Å; F189-L252 HydrophobicContact CG-CD1 4.05Å; F189-L252 HydrophobicContact CZ-CD1 4.08Å; F189-L252 HydrophobicContact CZ-CD2 4.32Å; W193-L252 WeakPolarHBondContact CH2-O 3.48Å; W193-L252 WeakPolarHBondContact CZ2-O 3.2Å; I231-L252 HydrophobicContact CG1-CD2 4.35Å; V238-L252 HydrophobicContact CG1-CD2 4.19Å; V238-L252 HydrophobicContact CG2-CD2 3.9Å; L248-L252 HydrophobicContact CD1-CD1 4.48Å; L248-L252 HydrophobicContact CG-CD1 4.04Å; L248-L252 WeakPolarHBondContact O-CB 3.48Å; L248-L252 WeakPolarHBondContact O-CG 2.92Å; L248-L252 PolarHBondContact O-N 3.15Å; Y249-L252 PolarHBondContact O-N 3.31Å; L252-R254 PolarHBondContact O-N 2.98Å; L252-L255 HydrophobicContact CD2-CD1 3.97Å; L252-L255 WeakPolarHBondContact O-CB 3.32Å; L252-L255 VanDerWaalsContact O-CG 3.29Å; L252-L255 WeakPolarHBondContact O-CG 3.49Å; L252-L255 PolarHBondContact O-N 3.3Å |
| 253 | A | 95.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -26.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y249 F332 | Y249-A253 WeakPolarHBondContact O-CB 3.11Å; Y249-A253 PolarHBondContact O-N 3.15Å; A253-F332 HydrophobicContact CB-CZ 4.27Å |
| 254 | R | 94.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 50.9 Ų | 50.9 | 35% | 0.347 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -92.4 | -12.5 | 179.4 | 67.5 | 173.7 | 170.9 | 85.1 | 4.6 | 114.9 | E237 Q250 T251 L252 K257 L258 | E237-R254 IonicContact OE1-CZ 3.82Å; E237-R254 IonicContact OE1-NH1 3.81Å; E237-R254 PolarHBondContact OE1-NH1 3.5Å; E237-R254 IonicContact OE1-NH2 3.72Å; E237-R254 PolarHBondContact OE1-NH2 3.41Å; Q250-R254 WeakPolarHBondContact O-CG 3.37Å; Q250-R254 PolarHBondContact O-N 3.48Å; T251-R254 WeakPolarHBondContact O-CG 3.31Å; T251-R254 PolarHBondContact O-N 3.03Å; L252-R254 PolarHBondContact O-N 2.98Å; R254-K257 PolarHBondContact O-N 3.36Å; R254-L258 VanDerWaalsContact NH1-CD1 3.27Å |
| 255 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -53.3 | -39.3 | -173.5 | -63.2 | -176.7 | 0 | 0 | 0 | 115.2 | I230 S234 V238 T251 L252 K257 L258 | I230-L255 HydrophobicContact CG2-CB 3.42Å; I230-L255 VanDerWaalsContact CG2-CB 3.42Å; I230-L255 HydrophobicContact CG2-CD1 4.38Å; S234-L255 WeakPolarHBondContact OG-CD2 3.23Å; V238-L255 HydrophobicContact CG2-CD1 3.89Å; T251-L255 HydrophobicContact CG2-CD2 4.22Å; T251-L255 WeakPolarHBondContact O-CD2 3.39Å; T251-L255 VanDerWaalsContact O-CG 3.3Å; T251-L255 WeakPolarHBondContact O-CG 2.85Å; L252-L255 HydrophobicContact CD2-CD1 3.97Å; L252-L255 WeakPolarHBondContact O-CB 3.32Å; L252-L255 VanDerWaalsContact O-CG 3.29Å; L252-L255 WeakPolarHBondContact O-CG 3.49Å; L252-L255 PolarHBondContact O-N 3.3Å; L255-K257 PolarHBondContact O-N 3.3Å; L255-L258 HydrophobicContact CD2-CD1 3.76Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 3.44Å |
| 256 | P | 95 | Very high | 96.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -57.8 | -24.4 | -178 | -23.5 | 31.2 | 0 | 0 | 0 | 114 | W193 F198 V201 L202 I230 L258 | W193-P256 HydrophobicContact CD2-CG 3.94Å; W193-P256 VanDerWaalsContact CE2-CG 3.45Å; W193-P256 HydrophobicContact CG-CG 4.33Å; W193-P256 HydrophobicContact CH2-CG 4.34Å; W193-P256 HydrophobicContact CZ2-CG 3.7Å; F198-P256 HydrophobicContact CD1-CB 4.33Å; F198-P256 HydrophobicContact CD1-CG 4.44Å; F198-P256 HydrophobicContact CE1-CG 4.44Å; V201-P256 HydrophobicContact CG2-CB 4.04Å; V201-P256 HydrophobicContact CG2-CG 4.12Å; L202-P256 HydrophobicContact CD2-CB 4.1Å; L202-P256 VanDerWaalsContact CD2-O 3.27Å; L202-P256 WeakPolarHBondContact CD2-O 3.21Å; I230-P256 HydrophobicContact CD1-CB 4.09Å; I230-P256 HydrophobicContact CD1-CG 4.11Å; I230-P256 HydrophobicContact CG2-CG 4.25Å; P256-L258 VanDerWaalsContact C-N 3.34Å |
| 257 | K | 94.3 | Very high | 96.5 | Very high | 127 Ų | 127 | 48.6 Ų | 48.6 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -82.2 | -10.1 | -177.8 | -60.8 | 177.3 | 178.3 | 177.3 | 0 | 113.8 | V201 R254 L255 | V201-K257 WeakPolarHBondContact O-CE 3.46Å; V201-K257 VanDerWaalsContact O-CG 3.23Å; V201-K257 WeakPolarHBondContact O-CG 3.4Å; R254-K257 PolarHBondContact O-N 3.36Å; L255-K257 PolarHBondContact O-N 3.3Å |
| 258 | L | 94.2 | Very high | 96.5 | Very high | 76 Ų | 76 | 45 Ų | 45 | 40% | 0.398 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -91.4 | -16.2 | -168.7 | -56 | 179 | 0 | 0 | 0 | 113.3 | E237 R254 L255 P256 | E237-L258 WeakPolarHBondContact OE2-CD1 3.49Å; R254-L258 VanDerWaalsContact NH1-CD1 3.27Å; L255-L258 HydrophobicContact CD2-CD1 3.76Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 3.44Å; P256-L258 VanDerWaalsContact C-N 3.34Å |
| 259 | H | 94.1 | Very high | 96.6 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -125.6 | 144 | -169.1 | -57.6 | -64.4 | 0 | 0 | 0 | 111.6 | I233 S234 L264 | I233-H259 VanDerWaalsContact CG2-CE1 3.44Å; I233-H259 WeakPolarHBondContact CG2-CE1 3.29Å; S234-H259 PolarHBondContact OG-NE2 3Å; H259-L264 HydrophobicContact CB-CD2 3.63Å; H259-L264 HydrophobicContact CB-CG 4.06Å |
| 260 | P | 96 | Very high | 96.7 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | trans | -59.1 | 138.9 | 170.8 | -21.7 | 33.2 | 0 | 0 | 0 | 111.8 | E262 E263 L264 | P260-E262 VanDerWaalsContact C-N 3.26Å; P260-E262 PolarHBondContact O-N 2.88Å; P260-E263 WeakPolarHBondContact O-CB 3.21Å; P260-E263 PolarHBondContact O-N 3.23Å; P260-L264 PolarHBondContact O-N 2.93Å | ||
| 261 | V | 97.2 | Very high | 96.8 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | -176.3 | 71.8 | 0 | 0 | 0 | 0 | 113.4 | D207 R210 L211 E263 L264 I265 | D207-V261 HydrophobicContact CB-CB 3.91Å; D207-V261 HydrophobicContact CB-CG1 4.08Å; D207-V261 HydrophobicContact CB-CG2 4.23Å; D207-V261 WeakPolarHBondContact OD1-CG1 3.44Å; R210-V261 HydrophobicContact CB-CG1 4.4Å; R210-V261 HydrophobicContact CG-CG1 3.98Å; R210-V261 HydrophobicContact CG-CG2 4.32Å; L211-V261 HydrophobicContact CD1-CG2 4.39Å; L211-V261 HydrophobicContact CD2-CG2 3.84Å; L211-V261 HydrophobicContact CG-CG2 3.71Å; V261-E263 VanDerWaalsContact C-N 3.28Å; V261-E263 PolarHBondContact O-N 3.42Å; V261-L264 WeakPolarHBondContact O-CB 3.49Å; V261-L264 PolarHBondContact O-N 3.35Å; V261-I265 HydrophobicContact CG2-CD1 4.08Å; V261-I265 HydrophobicContact CG2-CG1 4.41Å; V261-I265 VanDerWaalsContact O-CG1 3.32Å; V261-I265 WeakPolarHBondContact O-CG1 3.2Å; V261-I265 PolarHBondContact O-N 2.62Å |
| 262 | E | 97.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -29.2 | 179.4 | -68.8 | -65.2 | 150.6 | 0 | 0 | 112.6 | R32 Y33 R210 P260 R266 | R32-E262 WeakPolarHBondContact CA-OE2 3.44Å; Y33-E262 WeakPolarHBondContact CA-OE1 3.31Å; Y33-E262 PolarHBondContact N-OE1 2.62Å; Y33-E262 PolarHBondContact N-OE2 3.32Å; R210-E262 WeakPolarHBondContact CD-OE1 3.47Å; R210-E262 IonicContact CZ-OE1 2.96Å; R210-E262 IonicContact NE-OE1 3.99Å; R210-E262 PolarHBondContact NE-OE1 3.01Å; R210-E262 IonicContact NH2-OE1 2.9Å; R210-E262 IonicContact NH2-OE2 3.75Å; P260-E262 VanDerWaalsContact C-N 3.26Å; P260-E262 PolarHBondContact O-N 2.88Å; E262-R266 VanDerWaalsContact O-CB 3.3Å; E262-R266 WeakPolarHBondContact O-CB 3.4Å; E262-R266 PolarHBondContact O-N 2.91Å |
| 263 | E | 97.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.4 | -43.4 | 174.5 | 179.7 | 165.5 | -149.3 | 0 | 0 | 111 | I233 P260 V261 I265 R266 E267 | I233-E263 HydrophobicContact CD1-CG 3.97Å; P260-E263 WeakPolarHBondContact O-CB 3.21Å; P260-E263 PolarHBondContact O-N 3.23Å; V261-E263 VanDerWaalsContact C-N 3.28Å; V261-E263 PolarHBondContact O-N 3.42Å; E263-I265 PolarHBondContact O-N 3.11Å; E263-R266 PolarHBondContact O-N 3.05Å; E263-R266 IonicContact OE1-NH2 3.41Å; E263-E267 PolarHBondContact O-N 3.14Å |
| 264 | L | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 174.7 | -58.7 | -178.5 | 0 | 0 | 0 | 111.4 | A229 I230 I233 H259 P260 V261 E267 A268 | A229-L264 WeakPolarHBondContact CB-O 3.37Å; I230-L264 HydrophobicContact CB-CD2 4.35Å; I230-L264 HydrophobicContact CD1-CD1 4.17Å; I230-L264 HydrophobicContact CG1-CD1 3.78Å; I230-L264 HydrophobicContact CG1-CD2 3.54Å; I230-L264 HydrophobicContact CG1-CG 4.16Å; I233-L264 HydrophobicContact CD1-CD2 3.66Å; H259-L264 HydrophobicContact CB-CD2 3.63Å; H259-L264 HydrophobicContact CB-CG 4.06Å; P260-L264 PolarHBondContact O-N 2.93Å; V261-L264 WeakPolarHBondContact O-CB 3.49Å; V261-L264 PolarHBondContact O-N 3.35Å; L264-E267 PolarHBondContact O-N 3.25Å; L264-A268 VanDerWaalsContact O-CB 3.3Å; L264-A268 WeakPolarHBondContact O-CB 3.46Å; L264-A268 PolarHBondContact O-N 3.23Å |
| 265 | I | 98.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 179.1 | -67.7 | 174.7 | 0 | 0 | 0 | 110.9 | R210 L211 L214 V261 E263 E267 A268 L269 | R210-I265 HydrophobicContact CG-CD1 3.85Å; R210-I265 VanDerWaalsContact CZ-CD1 3.48Å; L211-I265 HydrophobicContact CD2-CD1 3.92Å; L211-I265 HydrophobicContact CD2-CG1 3.7Å; L214-I265 HydrophobicContact CD1-CG2 4.46Å; L214-I265 HydrophobicContact CD2-CG1 4.01Å; L214-I265 HydrophobicContact CD2-CG2 4.13Å; V261-I265 HydrophobicContact CG2-CD1 4.08Å; V261-I265 HydrophobicContact CG2-CG1 4.41Å; V261-I265 VanDerWaalsContact O-CG1 3.32Å; V261-I265 WeakPolarHBondContact O-CG1 3.2Å; V261-I265 PolarHBondContact O-N 2.62Å; E263-I265 PolarHBondContact O-N 3.11Å; I265-E267 PolarHBondContact O-N 3.05Å; I265-A268 PolarHBondContact O-N 2.98Å; I265-L269 HydrophobicContact CG2-CD1 3.85Å; I265-L269 HydrophobicContact CG2-CG 4.27Å; I265-L269 VanDerWaalsContact O-CG 3.3Å; I265-L269 WeakPolarHBondContact O-CG 3.49Å; I265-L269 PolarHBondContact O-N 3.15Å |
| 266 | R | 98.4 | Very high | 97.2 | Very high | 157 Ų | 157 | 60 Ų | 60 | 59% | 0.592 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 179.3 | 179.6 | -174.3 | 60.9 | 178.9 | -4.3 | 111.8 | E262 E263 L269 K270 | E262-R266 VanDerWaalsContact O-CB 3.3Å; E262-R266 WeakPolarHBondContact O-CB 3.4Å; E262-R266 PolarHBondContact O-N 2.91Å; E263-R266 PolarHBondContact O-N 3.05Å; E263-R266 IonicContact OE1-NH2 3.41Å; R266-L269 PolarHBondContact O-N 3.47Å; R266-K270 PolarHBondContact O-N 3.29Å; R266-K270 VanDerWaalsContact O-N 3.11Å |
| 267 | E | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 60.8 Ų | 60.8 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 178.4 | -169.3 | 63.7 | -158.2 | 0 | 0 | 111.3 | A229 I233 E263 L264 I265 L269 K270 I271 | A229-E267 HydrophobicContact CB-CB 4.02Å; A229-E267 HydrophobicContact CB-CG 4.21Å; I233-E267 HydrophobicContact CD1-CB 3.82Å; I233-E267 HydrophobicContact CD1-CG 4.29Å; I233-E267 HydrophobicContact CG1-CB 4.15Å; I233-E267 HydrophobicContact CG1-CG 4.09Å; E263-E267 PolarHBondContact O-N 3.14Å; L264-E267 PolarHBondContact O-N 3.25Å; I265-E267 PolarHBondContact O-N 3.05Å; E267-L269 VanDerWaalsContact C-N 3.35Å; E267-L269 PolarHBondContact O-N 3.44Å; E267-K270 WeakPolarHBondContact O-CB 3.21Å; E267-K270 PolarHBondContact O-N 3Å; E267-K270 IonicContact OE1-NZ 2.62Å; E267-K270 PolarHBondContact OE1-NZ 2.89Å; E267-K270 IonicContact OE2-NZ 2.72Å; E267-K270 PolarHBondContact OE2-NZ 3.17Å; E267-I271 HydrophobicContact CG-CD1 4.18Å; E267-I271 WeakPolarHBondContact O-CG1 3.06Å; E267-I271 PolarHBondContact O-N 3.02Å |
| 268 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V226 A229 L264 I265 K270 I271 Y272 | V226-A268 HydrophobicContact CB-CB 4.46Å; V226-A268 HydrophobicContact CG2-CB 3.83Å; A229-A268 HydrophobicContact CB-CB 3.84Å; L264-A268 VanDerWaalsContact O-CB 3.3Å; L264-A268 WeakPolarHBondContact O-CB 3.46Å; L264-A268 PolarHBondContact O-N 3.23Å; I265-A268 PolarHBondContact O-N 2.98Å; A268-K270 PolarHBondContact O-N 3.44Å; A268-I271 PolarHBondContact O-N 3.28Å; A268-Y272 VanDerWaalsContact O-CB 3.3Å; A268-Y272 WeakPolarHBondContact O-CB 3.47Å; A268-Y272 PolarHBondContact O-N 3.36Å |
| 269 | L | 98.5 | Very high | 97.7 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 177.4 | -69.7 | 172.7 | 0 | 0 | 0 | 112.6 | I30 L214 M222 I265 R266 E267 Y272 I273 | I30-L269 HydrophobicContact CG2-CD1 3.72Å; I30-L269 HydrophobicContact CG2-CD2 3.79Å; I30-L269 HydrophobicContact CG2-CG 4.43Å; L214-L269 HydrophobicContact CD1-CD2 4.2Å; M222-L269 HydrophobicContact CE-CD2 4.16Å; I265-L269 HydrophobicContact CG2-CD1 3.85Å; I265-L269 HydrophobicContact CG2-CG 4.27Å; I265-L269 VanDerWaalsContact O-CG 3.3Å; I265-L269 WeakPolarHBondContact O-CG 3.49Å; I265-L269 PolarHBondContact O-N 3.15Å; R266-L269 PolarHBondContact O-N 3.47Å; E267-L269 VanDerWaalsContact C-N 3.35Å; E267-L269 PolarHBondContact O-N 3.44Å; L269-Y272 WeakPolarHBondContact O-CB 3.2Å; L269-Y272 PolarHBondContact O-N 3.2Å; L269-I273 VanDerWaalsContact O-CG1 3.31Å; L269-I273 WeakPolarHBondContact O-CG1 3.33Å; L269-I273 PolarHBondContact O-N 2.94Å |
| 270 | K | 98.4 | Very high | 97.9 | Very high | 127 Ų | 127 | 60 Ų | 60 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 173.8 | 174.8 | -176.7 | 154 | -141.1 | 0 | 111.1 | R266 E267 A268 Y272 I273 D274 | R266-K270 PolarHBondContact O-N 3.29Å; R266-K270 VanDerWaalsContact O-N 3.11Å; E267-K270 WeakPolarHBondContact O-CB 3.21Å; E267-K270 PolarHBondContact O-N 3Å; E267-K270 IonicContact OE1-NZ 2.62Å; E267-K270 PolarHBondContact OE1-NZ 2.89Å; E267-K270 IonicContact OE2-NZ 2.72Å; E267-K270 PolarHBondContact OE2-NZ 3.17Å; A268-K270 PolarHBondContact O-N 3.44Å; K270-Y272 VanDerWaalsContact C-N 3.29Å; K270-Y272 PolarHBondContact O-N 2.8Å; K270-I273 PolarHBondContact O-N 3.3Å; K270-D274 PolarHBondContact O-N 3.32Å; K270-D274 VanDerWaalsContact O-N 3.11Å |
| 271 | I | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 176.5 | -61.5 | 164.3 | 0 | 0 | 0 | 110.6 | L168 V172 Y225 V228 A229 E267 A268 I273 D274 L275 | L168-I271 HydrophobicContact CD1-CG2 3.67Å; L168-I271 HydrophobicContact CD2-CG2 3.96Å; L168-I271 HydrophobicContact CG-CG2 4.05Å; V172-I271 HydrophobicContact CG1-CD1 4.48Å; V172-I271 HydrophobicContact CG2-CD1 4.34Å; V172-I271 HydrophobicContact CG2-CG1 4.19Å; V172-I271 HydrophobicContact CG2-CG2 3.7Å; Y225-I271 HydrophobicContact CD1-CB 4.24Å; Y225-I271 HydrophobicContact CD1-CG2 3.8Å; Y225-I271 HydrophobicContact CE1-CG2 4.15Å; V228-I271 HydrophobicContact CG1-CD1 4.18Å; A229-I271 HydrophobicContact CB-CD1 4.27Å; E267-I271 HydrophobicContact CG-CD1 4.18Å; E267-I271 WeakPolarHBondContact O-CG1 3.06Å; E267-I271 PolarHBondContact O-N 3.02Å; A268-I271 PolarHBondContact O-N 3.28Å; I271-I273 VanDerWaalsContact C-N 3.33Å; I271-I273 PolarHBondContact O-N 3.12Å; I271-D274 PolarHBondContact O-N 2.95Å; I271-L275 PolarHBondContact O-N 2.98Å |
| 272 | Y | 98.2 | Very high | 98.1 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 177.8 | -171.9 | -85.7 | 0 | 0 | 0 | 113.5 | D219 M222 Y225 A268 L269 K270 L275 P277 | D219-Y272 PolarHBondContact OD2-OH 3.18Å; M222-Y272 HydrophobicContact CE-CD1 4.45Å; M222-Y272 HydrophobicContact CE-CD2 3.26Å; M222-Y272 HydrophobicContact CE-CE2 3.56Å; M222-Y272 HydrophobicContact CE-CG 3.75Å; M222-Y272 HydrophobicContact SD-CD2 4.28Å; Y225-Y272 HydrophobicContact CD1-CD2 4.12Å; Y225-Y272 AromaticContact CD2-CD2 3.72Å; Y225-Y272 HydrophobicContact CD2-CD2 3.72Å; Y225-Y272 HydrophobicContact CD2-CE2 4.32Å; Y225-Y272 VanDerWaalsContact CE1-CA 3.46Å; Y225-Y272 HydrophobicContact CE1-CD2 4.04Å; Y225-Y272 HydrophobicContact CE1-CG 4.43Å; Y225-Y272 AromaticContact CE2-CD2 3.6Å; Y225-Y272 HydrophobicContact CE2-CD2 3.6Å; Y225-Y272 AromaticContact CE2-CE2 3.99Å; Y225-Y272 HydrophobicContact CE2-CE2 3.99Å; Y225-Y272 AromaticContact CG-CD2 3.96Å; Y225-Y272 HydrophobicContact CG-CD2 3.96Å; Y225-Y272 AromaticContact CZ-CD2 3.75Å; A268-Y272 VanDerWaalsContact O-CB 3.3Å; A268-Y272 WeakPolarHBondContact O-CB 3.47Å; A268-Y272 PolarHBondContact O-N 3.36Å; L269-Y272 WeakPolarHBondContact O-CB 3.2Å; L269-Y272 PolarHBondContact O-N 3.2Å; K270-Y272 VanDerWaalsContact C-N 3.29Å; K270-Y272 PolarHBondContact O-N 2.8Å; Y272-L275 CarbonylContact O-C 3.11Å; Y272-P277 HydrophobicContact CD2-CG 4.44Å; Y272-P277 HydrophobicContact CE1-CG 4.44Å; Y272-P277 HydrophobicContact CE2-CG 3.48Å; Y272-P277 VanDerWaalsContact CE2-CG 3.48Å; Y272-P277 VanDerWaalsContact CZ-CG 3.47Å; Y272-P277 WeakPolarHBondContact OH-CG 3.32Å |
| 273 | I | 97.2 | Very high | 98.1 | Very high | 135 Ų | 135 | 62.8 Ų | 62.8 | 69% | 0.692 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -72.5 | -37.1 | 175.7 | -68.7 | 164.4 | 0 | 0 | 0 | 111.1 | L269 K270 I271 | L269-I273 VanDerWaalsContact O-CG1 3.31Å; L269-I273 WeakPolarHBondContact O-CG1 3.33Å; L269-I273 PolarHBondContact O-N 2.94Å; K270-I273 PolarHBondContact O-N 3.3Å; I271-I273 VanDerWaalsContact C-N 3.33Å; I271-I273 PolarHBondContact O-N 3.12Å |
| 274 | D | 98.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 60% | 0.599 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.7 | -38.7 | -179.9 | -174.7 | 62.6 | 0 | 0 | 0 | 112.7 | H171 K270 I271 | H171-D274 IonicContact CD2-OD2 2.69Å; H171-D274 IonicContact CE1-OD2 3.6Å; H171-D274 IonicContact NE2-OD2 3.25Å; H171-D274 PolarHBondContact NE2-OD2 2.93Å; K270-D274 PolarHBondContact O-N 3.32Å; K270-D274 VanDerWaalsContact O-N 3.11Å; I271-D274 PolarHBondContact O-N 2.95Å |
| 275 | L | 98.1 | Very high | 98.1 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -130.9 | 100.1 | 177.2 | -168.2 | 79.2 | 0 | 0 | 0 | 110.6 | L168 H171 Y225 I271 Y272 K279 L280 L283 | L168-L275 HydrophobicContact CD1-CB 4.38Å; L168-L275 HydrophobicContact CD1-CD2 3.55Å; H171-L275 HydrophobicContact CB-CD2 4.47Å; Y225-L275 WeakPolarHBondContact CE1-O 3.1Å; Y225-L275 PolarHBondContact OH-O 3.12Å; I271-L275 PolarHBondContact O-N 2.98Å; Y272-L275 CarbonylContact O-C 3.11Å; L275-K279 HydrophobicContact CD1-CB 4.01Å; L275-K279 HydrophobicContact CD1-CG 3.57Å; L275-K279 HydrophobicContact CG-CB 4.39Å; L275-K279 HydrophobicContact CG-CG 4.41Å; L275-L280 HydrophobicContact CD2-CB 4.03Å; L275-L280 HydrophobicContact CD2-CD1 4.24Å; L275-L283 HydrophobicContact CD1-CD1 4.39Å; L275-L283 HydrophobicContact CD2-CD1 4.12Å |
| 276 | E | 97.1 | Very high | 98.1 | Very high | 136 Ų | 136 | 69.8 Ų | 69.8 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | trans | -62.5 | 152.9 | 180 | -63.8 | -176.2 | 161.5 | 0 | 0 | 112.9 | D278 K279 L280 | E276-D278 PolarHBondContact O-N 3.32Å; E276-K279 PolarHBondContact O-N 3.24Å; E276-K279 VanDerWaalsContact O-N 3.08Å; E276-L280 PolarHBondContact O-N 3.44Å; E276-L280 VanDerWaalsContact O-N 3.13Å | ||
| 277 | P | 97.7 | Very high | 98 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -48.7 | -46.4 | -176.7 | -34.7 | 37.9 | 0 | 0 | 0 | 116.1 | I221 Y225 Y272 K279 L280 I281 | I221-P277 HydrophobicContact CG2-CB 4.01Å; I221-P277 HydrophobicContact CG2-CG 4.18Å; Y225-P277 WeakPolarHBondContact OH-CA 3.27Å; Y272-P277 HydrophobicContact CD2-CG 4.44Å; Y272-P277 HydrophobicContact CE1-CG 4.44Å; Y272-P277 HydrophobicContact CE2-CG 3.48Å; Y272-P277 VanDerWaalsContact CE2-CG 3.48Å; Y272-P277 VanDerWaalsContact CZ-CG 3.47Å; Y272-P277 WeakPolarHBondContact OH-CG 3.32Å; P277-K279 PolarHBondContact O-N 3.48Å; P277-L280 PolarHBondContact O-N 3.24Å; P277-L280 VanDerWaalsContact O-N 3.14Å; P277-I281 VanDerWaalsContact O-CG1 3.28Å; P277-I281 WeakPolarHBondContact O-CG1 3.4Å; P277-I281 PolarHBondContact O-N 3.01Å |
| 278 | D | 97.6 | Very high | 98 | Very high | 135 Ų | 135 | 62.8 Ų | 62.8 | 72% | 0.722 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | -176.7 | -73.6 | -16.1 | 0 | 0 | 0 | 111.2 | E276 I281 E282 | E276-D278 PolarHBondContact O-N 3.32Å; D278-I281 PolarHBondContact O-N 3.48Å; D278-E282 PolarHBondContact O-N 2.97Å; D278-E282 VanDerWaalsContact O-N 3.08Å |
| 279 | K | 98.2 | Very high | 97.9 | Very high | 92 Ų | 92 | 67.4 Ų | 67.4 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.3 | -40.6 | 177 | -170.5 | 63.2 | -176.8 | 176.2 | 0 | 111.5 | L275 E276 P277 I281 E282 L283 | L275-K279 HydrophobicContact CD1-CB 4.01Å; L275-K279 HydrophobicContact CD1-CG 3.57Å; L275-K279 HydrophobicContact CG-CB 4.39Å; L275-K279 HydrophobicContact CG-CG 4.41Å; E276-K279 PolarHBondContact O-N 3.24Å; E276-K279 VanDerWaalsContact O-N 3.08Å; P277-K279 PolarHBondContact O-N 3.48Å; K279-I281 VanDerWaalsContact C-N 3.31Å; K279-I281 PolarHBondContact O-N 3.42Å; K279-E282 WeakPolarHBondContact CD-OE2 3.37Å; K279-E282 IonicContact NZ-OE1 2.62Å; K279-E282 PolarHBondContact NZ-OE1 2.77Å; K279-E282 IonicContact NZ-OE2 3.92Å; K279-E282 PolarHBondContact NZ-OE2 2.95Å; K279-E282 WeakPolarHBondContact O-CB 3.29Å; K279-E282 PolarHBondContact O-N 3.49Å; K279-L283 WeakPolarHBondContact O-CG 3.48Å; K279-L283 PolarHBondContact O-N 3.41Å |
| 280 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 174.2 | 176.5 | 54.9 | 0 | 0 | 0 | 111.6 | A167 L168 I221 V224 Y225 L275 E276 P277 E282 L283 G284 | A167-L280 HydrophobicContact CB-CD1 4.4Å; L168-L280 HydrophobicContact CB-CD1 3.64Å; L168-L280 HydrophobicContact CB-CD2 4.32Å; L168-L280 HydrophobicContact CD1-CD1 4.21Å; L168-L280 HydrophobicContact CD1-CD2 4.35Å; L168-L280 HydrophobicContact CD2-CD2 4.05Å; L168-L280 HydrophobicContact CG-CD1 4.43Å; L168-L280 HydrophobicContact CG-CD2 4.49Å; I221-L280 HydrophobicContact CD1-CB 4.38Å; I221-L280 HydrophobicContact CD1-CD2 3.71Å; I221-L280 HydrophobicContact CD1-CG 3.94Å; I221-L280 HydrophobicContact CG1-CD2 4.04Å; V224-L280 HydrophobicContact CG1-CD2 4.09Å; Y225-L280 HydrophobicContact CD2-CD2 4.28Å; Y225-L280 HydrophobicContact CE1-CD2 4.15Å; Y225-L280 HydrophobicContact CE2-CD2 3.56Å; L275-L280 HydrophobicContact CD2-CB 4.03Å; L275-L280 HydrophobicContact CD2-CD1 4.24Å; E276-L280 PolarHBondContact O-N 3.44Å; E276-L280 VanDerWaalsContact O-N 3.13Å; P277-L280 PolarHBondContact O-N 3.24Å; P277-L280 VanDerWaalsContact O-N 3.14Å; L280-E282 VanDerWaalsContact C-N 3.34Å; L280-E282 PolarHBondContact O-N 2.79Å; L280-L283 PolarHBondContact O-N 2.73Å; L280-G284 PolarHBondContact O-N 2.91Å |
| 281 | I | 98.2 | Very high | 97.5 | Very high | 70 Ų | 70 | 67.6 Ų | 67.6 | 36% | 0.359 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.1 | -69.3 | 164.3 | 0 | 0 | 0 | 110.6 | I221 P277 D278 K279 G284 N285 | I221-I281 HydrophobicContact CD1-CD1 4.39Å; I221-I281 HydrophobicContact CD1-CG1 3.76Å; P277-I281 VanDerWaalsContact O-CG1 3.28Å; P277-I281 WeakPolarHBondContact O-CG1 3.4Å; P277-I281 PolarHBondContact O-N 3.01Å; D278-I281 PolarHBondContact O-N 3.48Å; K279-I281 VanDerWaalsContact C-N 3.31Å; K279-I281 PolarHBondContact O-N 3.42Å; I281-G284 PolarHBondContact O-N 2.89Å; I281-N285 WeakPolarHBondContact O-CB 3.17Å; I281-N285 PolarHBondContact O-N 3.28Å; I281-N285 PolarHBondContact O-ND2 3.29Å; I281-N285 VanDerWaalsContact O-ND2 3.16Å |
| 282 | E | 98.1 | Very high | 97.3 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 175.7 | -167.5 | -153 | 135.1 | 0 | 0 | 112.1 | D278 K279 L280 N285 K286 | D278-E282 PolarHBondContact O-N 2.97Å; D278-E282 VanDerWaalsContact O-N 3.08Å; K279-E282 WeakPolarHBondContact CD-OE2 3.37Å; K279-E282 IonicContact NZ-OE1 2.62Å; K279-E282 PolarHBondContact NZ-OE1 2.77Å; K279-E282 IonicContact NZ-OE2 3.92Å; K279-E282 PolarHBondContact NZ-OE2 2.95Å; K279-E282 WeakPolarHBondContact O-CB 3.29Å; K279-E282 PolarHBondContact O-N 3.49Å; L280-E282 VanDerWaalsContact C-N 3.34Å; L280-E282 PolarHBondContact O-N 2.79Å; E282-N285 PolarHBondContact O-N 3.3Å; E282-K286 PolarHBondContact O-N 2.81Å; E282-K286 IonicContact OE1-NZ 3.61Å; E282-K286 PolarHBondContact OE1-NZ 3.36Å |
| 283 | L | 98.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 75.5 Ų | 75.5 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 178.5 | -66.1 | 176 | 0 | 0 | 0 | 111.8 | A167 L275 K279 L280 N285 K286 R287 | A167-L283 HydrophobicContact CB-CB 4.21Å; L275-L283 HydrophobicContact CD1-CD1 4.39Å; L275-L283 HydrophobicContact CD2-CD1 4.12Å; K279-L283 WeakPolarHBondContact O-CG 3.48Å; K279-L283 PolarHBondContact O-N 3.41Å; L280-L283 PolarHBondContact O-N 2.73Å; L283-N285 PolarHBondContact O-N 3.28Å; L283-K286 WeakPolarHBondContact O-CB 3.41Å; L283-K286 PolarHBondContact O-N 3.09Å; L283-R287 PolarHBondContact O-N 2.78Å; L283-R287 VanDerWaalsContact O-N 3.13Å |
| 284 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L280 I281 K286 R287 I288 | L280-G284 PolarHBondContact O-N 2.91Å; I281-G284 PolarHBondContact O-N 2.89Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 3.44Å; G284-R287 PolarHBondContact O-N 3.47Å; G284-R287 VanDerWaalsContact O-N 3.08Å; G284-I288 VanDerWaalsContact O-CG1 3.29Å; G284-I288 WeakPolarHBondContact O-CG1 3.29Å; G284-I288 PolarHBondContact O-N 3.47Å |
| 285 | N | 98.1 | Very high | 96.2 | Very high | 95 Ų | 95 | 70.9 Ų | 70.9 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 177.9 | -76.2 | -30.1 | 0 | 0 | 0 | 112.7 | I281 E282 L283 R287 I288 L289 | I281-N285 WeakPolarHBondContact O-CB 3.17Å; I281-N285 PolarHBondContact O-N 3.28Å; I281-N285 PolarHBondContact O-ND2 3.29Å; I281-N285 VanDerWaalsContact O-ND2 3.16Å; E282-N285 PolarHBondContact O-N 3.3Å; L283-N285 PolarHBondContact O-N 3.28Å; N285-R287 VanDerWaalsContact C-N 3.33Å; N285-I288 PolarHBondContact O-N 2.94Å; N285-L289 PolarHBondContact O-N 3.43Å |
| 286 | K | 97.8 | Very high | 95.9 | Very high | 125 Ų | 125 | 75.8 Ų | 75.8 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.4 | -70.2 | 168.6 | 174.4 | 166.7 | 0 | 111.2 | E282 L283 G284 L289 K290 | E282-K286 PolarHBondContact O-N 2.81Å; E282-K286 IonicContact OE1-NZ 3.61Å; E282-K286 PolarHBondContact OE1-NZ 3.36Å; L283-K286 WeakPolarHBondContact O-CB 3.41Å; L283-K286 PolarHBondContact O-N 3.09Å; G284-K286 VanDerWaalsContact C-N 3.32Å; G284-K286 PolarHBondContact O-N 3.44Å; K286-L289 PolarHBondContact O-N 3.37Å; K286-K290 PolarHBondContact O-N 3.44Å |
| 287 | R | 96.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 75.2 Ų | 75.2 | 10% | 0.102 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.5 | -157.4 | -178.6 | -162.3 | 94.2 | -0 | 112.6 | Q163 F166 A167 E170 E181 L283 G284 N285 L289 K290 Y291 | Q163-R287 HydrophobicContact CB-CB 4.41Å; Q163-R287 HydrophobicContact CB-CG 4.37Å; Q163-R287 WeakPolarHBondContact O-CD 3.33Å; F166-R287 VanDerWaalsContact CB-CZ 3.5Å; A167-R287 HydrophobicContact CB-CB 4.5Å; E170-R287 IonicContact OE2-CZ 3.58Å; E170-R287 IonicContact OE2-NH1 2.63Å; E170-R287 PolarHBondContact OE2-NH1 3.02Å; E181-R287 IonicContact OE1-CZ 3.72Å; E181-R287 IonicContact OE1-NH2 3.93Å; E181-R287 PolarHBondContact OE1-NH2 3.38Å; E181-R287 IonicContact OE2-NH2 2.93Å; E181-R287 PolarHBondContact OE2-NH2 2.87Å; E181-R287 VanDerWaalsContact OE2-NH2 3.11Å; L283-R287 PolarHBondContact O-N 2.78Å; L283-R287 VanDerWaalsContact O-N 3.13Å; G284-R287 PolarHBondContact O-N 3.47Å; G284-R287 VanDerWaalsContact O-N 3.08Å; N285-R287 VanDerWaalsContact C-N 3.33Å; R287-L289 VanDerWaalsContact C-N 3.3Å; R287-L289 PolarHBondContact O-N 3.39Å; R287-K290 PolarHBondContact O-N 3.15Å; R287-Y291 WeakPolarHBondContact O-CB 3.26Å; R287-Y291 PolarHBondContact O-N 3.41Å |
| 288 | I | 97.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 175.6 | -70.1 | 166.8 | 0 | 0 | 0 | 110.8 | E160 Q163 L164 G284 N285 Y291 R292 | E160-I288 HydrophobicContact CB-CD1 4.34Å; E160-I288 HydrophobicContact CB-CG1 4.22Å; E160-I288 HydrophobicContact CB-CG2 4.08Å; E160-I288 HydrophobicContact CG-CG2 4.08Å; E160-I288 WeakPolarHBondContact O-CD1 3.42Å; E160-I288 VanDerWaalsContact O-CG1 3.24Å; E160-I288 WeakPolarHBondContact O-CG1 3.33Å; Q163-I288 HydrophobicContact CB-CG1 3.89Å; Q163-I288 HydrophobicContact CG-CG1 4.22Å; L164-I288 HydrophobicContact CD1-CD1 3.8Å; G284-I288 VanDerWaalsContact O-CG1 3.29Å; G284-I288 WeakPolarHBondContact O-CG1 3.29Å; G284-I288 PolarHBondContact O-N 3.47Å; N285-I288 PolarHBondContact O-N 2.94Å; I288-Y291 PolarHBondContact O-N 3.44Å; I288-R292 HydrophobicContact CG2-CG 4.37Å; I288-R292 WeakPolarHBondContact O-CB 3.46Å; I288-R292 WeakPolarHBondContact O-CG 3.36Å; I288-R292 PolarHBondContact O-N 2.95Å |
| 289 | L | 97.2 | Very high | 93.5 | Very high | 97 Ų | 97 | 82.2 Ų | 82.2 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 177.5 | -176.9 | 60.6 | 0 | 0 | 0 | 111.3 | N285 K286 R287 Y291 R292 E293 | N285-L289 PolarHBondContact O-N 3.43Å; K286-L289 PolarHBondContact O-N 3.37Å; R287-L289 VanDerWaalsContact C-N 3.3Å; R287-L289 PolarHBondContact O-N 3.39Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 2.86Å; L289-R292 PolarHBondContact O-N 3.1Å; L289-E293 WeakPolarHBondContact O-CG 3.46Å; L289-E293 PolarHBondContact O-N 3.5Å |
| 290 | K | 94.9 | Very high | 90.8 | Very high | 122 Ų | 122 | 81.6 Ų | 81.6 | 53% | 0.53 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 175.6 | -175.5 | -177.9 | 177.5 | -172.4 | 0 | 112.1 | K286 R287 E293 Q294 | K286-K290 PolarHBondContact O-N 3.44Å; R287-K290 PolarHBondContact O-N 3.15Å; K290-E293 PolarHBondContact O-N 3.48Å; K290-Q294 WeakPolarHBondContact O-CG 3.49Å; K290-Q294 PolarHBondContact O-N 3.03Å |
| 291 | Y | 93.5 | Very high | 88.5 | Confident | 49 Ų | 49 | 87.3 Ų | 87.3 | 19% | 0.192 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.9 | 173.5 | -103.1 | 0 | 0 | 0 | 112.1 | E160 Q163 R287 I288 L289 Q294 K295 | E160-Y291 HydrophobicContact CG-CD1 4.25Å; E160-Y291 HydrophobicContact CG-CE1 4.28Å; Q163-Y291 HydrophobicContact CG-CD1 4.4Å; Q163-Y291 HydrophobicContact CG-CG 4.19Å; R287-Y291 WeakPolarHBondContact O-CB 3.26Å; R287-Y291 PolarHBondContact O-N 3.41Å; I288-Y291 PolarHBondContact O-N 3.44Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 2.86Å; Y291-Q294 PolarHBondContact O-N 3.25Å; Y291-K295 HydrophobicContact CE1-CD 4.41Å; Y291-K295 WeakPolarHBondContact O-CB 3.3Å; Y291-K295 PolarHBondContact O-N 3.46Å |
| 292 | R | 94.3 | Very high | 85.8 | Confident | 116 Ų | 116 | 90.1 Ų | 90.1 | 44% | 0.438 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.7 | -75.4 | 174.7 | 175.6 | 165.3 | 2.8 | 111.8 | E160 I288 L289 Q294 K295 L296 | E160-R292 VanDerWaalsContact CD-NE 3.31Å; E160-R292 WeakPolarHBondContact OE1-CG 3.47Å; E160-R292 IonicContact OE1-CZ 3.34Å; E160-R292 IonicContact OE1-NE 3.77Å; E160-R292 PolarHBondContact OE1-NE 3.04Å; E160-R292 IonicContact OE1-NH2 2.8Å; E160-R292 PolarHBondContact OE1-NH2 3.43Å; E160-R292 IonicContact OE2-CZ 3.52Å; E160-R292 IonicContact OE2-NE 2.73Å; E160-R292 PolarHBondContact OE2-NE 3.03Å; E160-R292 IonicContact OE2-NH2 3.86Å; E160-R292 PolarHBondContact OE2-NH2 2.91Å; I288-R292 HydrophobicContact CG2-CG 4.37Å; I288-R292 WeakPolarHBondContact O-CB 3.46Å; I288-R292 WeakPolarHBondContact O-CG 3.36Å; I288-R292 PolarHBondContact O-N 2.95Å; L289-R292 PolarHBondContact O-N 3.1Å; R292-Q294 PolarHBondContact O-N 3.22Å; R292-K295 PolarHBondContact O-N 3.35Å; R292-L296 VanDerWaalsContact O-CG 3.32Å; R292-L296 WeakPolarHBondContact O-CG 3.18Å; R292-L296 PolarHBondContact O-N 3.39Å |
| 293 | E | 94 | Very high | 82.7 | Confident | 104 Ų | 104 | 93.5 Ų | 93.5 | 49% | 0.486 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 176.8 | -72 | 170.2 | -179.9 | 0 | 0 | 111.5 | L289 K290 K295 L296 L297 | L289-E293 WeakPolarHBondContact O-CG 3.46Å; L289-E293 PolarHBondContact O-N 3.5Å; K290-E293 PolarHBondContact O-N 3.48Å; E293-K295 PolarHBondContact O-N 3.44Å; E293-L296 PolarHBondContact O-N 2.6Å; E293-L297 WeakPolarHBondContact O-CG 3.47Å; E293-L297 PolarHBondContact O-N 3.29Å |
| 294 | Q | 89.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.7 | -71.2 | 172.7 | -12.6 | 0 | 0 | 112.2 | K290 Y291 R292 L296 L297 N298 | K290-Q294 WeakPolarHBondContact O-CG 3.49Å; K290-Q294 PolarHBondContact O-N 3.03Å; Y291-Q294 PolarHBondContact O-N 3.25Å; R292-Q294 PolarHBondContact O-N 3.22Å; Q294-L296 VanDerWaalsContact C-N 3.32Å; Q294-L296 PolarHBondContact O-N 2.86Å; Q294-L297 PolarHBondContact O-N 2.91Å; Q294-N298 WeakPolarHBondContact O-CB 3.18Å; Q294-N298 VanDerWaalsContact O-CG 3.26Å; Q294-N298 PolarHBondContact O-N 2.82Å; Q294-N298 PolarHBondContact O-ND2 2.97Å |
| 295 | K | 87.6 | Confident | 76.3 | Confident | 56 Ų | 56 | 108.2 Ų | 108.2 | 24% | 0.243 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.5 | -35.7 | 177.6 | -170.3 | 172.8 | 178.8 | 174.6 | 0 | 112.2 | D156 Y291 R292 E293 R299 | D156-K295 IonicContact OD1-NZ 3.11Å; D156-K295 PolarHBondContact OD1-NZ 2.75Å; Y291-K295 HydrophobicContact CE1-CD 4.41Å; Y291-K295 WeakPolarHBondContact O-CB 3.3Å; Y291-K295 PolarHBondContact O-N 3.46Å; R292-K295 PolarHBondContact O-N 3.35Å; E293-K295 PolarHBondContact O-N 3.44Å; K295-R299 VanDerWaalsContact O-CG 3.31Å; K295-R299 WeakPolarHBondContact O-CG 3.33Å; K295-R299 PolarHBondContact O-N 2.93Å |
| 296 | L | 90.4 | Very high | 73.1 | Confident | 116 Ų | 116 | 109.6 Ų | 109.6 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.8 | -42.2 | 175.2 | -72.4 | 171.1 | 0 | 0 | 0 | 112 | R292 E293 Q294 N298 R299 | R292-L296 VanDerWaalsContact O-CG 3.32Å; R292-L296 WeakPolarHBondContact O-CG 3.18Å; R292-L296 PolarHBondContact O-N 3.39Å; E293-L296 PolarHBondContact O-N 2.6Å; Q294-L296 VanDerWaalsContact C-N 3.32Å; Q294-L296 PolarHBondContact O-N 2.86Å; L296-N298 VanDerWaalsContact C-N 3.34Å; L296-N298 PolarHBondContact O-N 3.18Å; L296-R299 PolarHBondContact O-N 3Å |
| 297 | L | 88.6 | Confident | 70.1 | Confident | 124 Ų | 124 | 113.5 Ų | 113.5 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.7 | -42.9 | 176.3 | -70.3 | 168.9 | 0 | 0 | 0 | 111.7 | E293 Q294 R299 S300 | E293-L297 WeakPolarHBondContact O-CG 3.47Å; E293-L297 PolarHBondContact O-N 3.29Å; Q294-L297 PolarHBondContact O-N 2.91Å; L297-R299 PolarHBondContact O-N 3.17Å; L297-S300 PolarHBondContact O-N 2.72Å; L297-S300 PolarHBondContact O-OG 3.36Å |
| 298 | N | 83 | Confident | 66.9 | Low | 140 Ų | 140 | 117.4 Ų | 117.4 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.2 | -15.9 | 179.3 | -68.5 | -11.2 | 0 | 0 | 0 | 113.8 | Q294 L296 S300 | Q294-N298 WeakPolarHBondContact O-CB 3.18Å; Q294-N298 VanDerWaalsContact O-CG 3.26Å; Q294-N298 PolarHBondContact O-N 2.82Å; Q294-N298 PolarHBondContact O-ND2 2.97Å; L296-N298 VanDerWaalsContact C-N 3.34Å; L296-N298 PolarHBondContact O-N 3.18Å; N298-S300 VanDerWaalsContact C-N 3.25Å; N298-S300 PolarHBondContact O-N 3.26Å |
| 299 | R | 70.5 | Confident | 63.7 | Low | 158 Ų | 158 | 126.3 Ų | 126.3 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -0.5 | 174.8 | -83 | 177.1 | 173.7 | -172.6 | 0.2 | 114 | K295 L296 L297 | K295-R299 VanDerWaalsContact O-CG 3.31Å; K295-R299 WeakPolarHBondContact O-CG 3.33Å; K295-R299 PolarHBondContact O-N 2.93Å; L296-R299 PolarHBondContact O-N 3Å; L297-R299 PolarHBondContact O-N 3.17Å |
| 300 | S | 42.9 | Very low | 60.6 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 56% | 0.559 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -53.9 | 129 | 174.5 | -63.3 | 0 | 0 | 0 | 0 | 109.8 | L297 N298 V302 | L297-S300 PolarHBondContact O-N 2.72Å; L297-S300 PolarHBondContact O-OG 3.36Å; N298-S300 VanDerWaalsContact C-N 3.25Å; N298-S300 PolarHBondContact O-N 3.26Å; S300-V302 PolarHBondContact O-N 3.31Å |
| 301 | P | 48.4 | Very low | 57.5 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | trans | -65.5 | 110.1 | -165.2 | 24.4 | -32.6 | 0 | 0 | 0 | 110 | I303 | P301-I303 PolarHBondContact O-N 2.91Š| ||
| 302 | V | 41.8 | Very low | 54.5 | Low | 130 Ų | 130 | 130.4 Ų | 130.4 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | trans | -55.5 | 108.4 | 157.9 | 177.9 | 0 | 0 | 0 | 0 | 105.6 | S300 R304 | S300-V302 PolarHBondContact O-N 3.31Å; V302-R304 PolarHBondContact O-N 3.32Å | ||
| 303 | I | 32.8 | Very low | 51.8 | Low | 147 Ų | 147 | 133.8 Ų | 133.8 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -53.8 | 106.1 | 170.9 | -64.4 | 170.4 | 0 | 0 | 0 | 105.3 | P301 Q305 | P301-I303 PolarHBondContact O-N 2.91Å; I303-Q305 PolarHBondContact O-N 2.75Å | ||
| 304 | R | 33.1 | Very low | 49 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 75% | 0.751 | 71% | 0.705 | S | S | * | * | trans | -62 | 92.3 | 174.4 | -71.1 | -174.8 | 177.6 | -160.4 | -2.8 | 106.9 | V302 D347 | V302-R304 PolarHBondContact O-N 3.32Å; R304-D347 PolarHBondContact NH2-O 2.88Å; R304-D347 PolarHBondContact NH2-OXT 3.49Å | ||
| 305 | Q | 29 | Very low | 46.5 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | -64.2 | 124.9 | 160.9 | -73.9 | -165.3 | -3.4 | 0 | 0 | 106.2 | I303 F307 | I303-Q305 PolarHBondContact O-N 2.75Å; Q305-F307 PolarHBondContact O-N 3.12Å | ||
| 306 | P | 31.2 | Very low | 43.9 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -62.9 | 109.1 | -177.5 | 23.9 | -31 | 0 | 0 | 0 | 108.2 | S308 | P306-S308 PolarHBondContact O-N 2.7Š| ||
| 307 | F | 34.6 | Very low | 40.9 | Very low | 206 Ų | 206 | 148.4 Ų | 148.4 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -55.8 | 113.7 | 169.7 | -92 | -92.6 | 0 | 0 | 0 | 108.1 | Q305 K309 | Q305-F307 PolarHBondContact O-N 3.12Å; F307-K309 PolarHBondContact O-N 3.17Å | ||
| 308 | S | 30.2 | Very low | 38 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -47.5 | 131.3 | 170 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | P306 S310 | P306-S308 PolarHBondContact O-N 2.7Å; S308-S310 VanDerWaalsContact C-N 3.32Å; S308-S310 PolarHBondContact O-N 2.99Å | ||
| 309 | K | 29.9 | Very low | 35.5 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | trans | -61.8 | 88.8 | 178.3 | -68.9 | 176.7 | 178.7 | 175.2 | 0 | 109.8 | F307 | F307-K309 PolarHBondContact O-N 3.17Š| ||
| 310 | S | 32.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -91.4 | 105.7 | 162.7 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | S308 N312 | S308-S310 VanDerWaalsContact C-N 3.32Å; S308-S310 PolarHBondContact O-N 2.99Å; S310-N312 PolarHBondContact O-N 3.43Å | ||
| 311 | T | 29.9 | Very low | 33.6 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -66.2 | 113.9 | 173.7 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 312 | N | 31.2 | Very low | 32.9 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -153.6 | 74.2 | 153.2 | -99.8 | -26 | 0 | 0 | 0 | 110.2 | S310 H314 | S310-N312 PolarHBondContact O-N 3.43Å; N312-H314 PolarHBondContact O-N 3.29Å | ||
| 313 | K | 36.9 | Very low | 32.5 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 10.5 | 179.4 | -89.4 | -172.4 | 175.4 | -176.8 | 0 | 115 | ||
| 314 | H | 35.7 | Very low | 32.5 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 1.5 | -172.4 | -74 | -67.5 | 0 | 0 | 0 | 117 | N312 | N312-H314 PolarHBondContact O-N 3.29Š|
| 315 | I | 35.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 65% | 0.646 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -98.3 | -20.4 | -179.7 | -61.1 | 178.3 | 0 | 0 | 0 | 113.3 | ||
| 316 | L | 32.8 | Very low | 32.5 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -91.3 | -13.8 | -174.3 | -79.7 | 161.1 | 0 | 0 | 0 | 115.9 | ||
| 317 | W | 28.6 | Very low | 33 | Very low | 229 Ų | 229 | 152.8 Ų | 152.8 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -81.5 | -17.5 | 177.3 | -96.3 | 72.9 | 0 | 0 | 0 | 113.8 | ||
| 318 | G | 27.3 | Very low | 32.9 | Very low | 57 Ų | 57 | 151.1 Ų | 151.1 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -82.4 | -11.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 319 | L | 29.8 | Very low | 33.4 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -105.2 | -8.6 | -173.6 | -80.1 | 159.8 | 0 | 0 | 0 | 114.4 | ||
| 320 | V | 36.1 | Very low | 33.9 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -87.8 | -13.9 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 113 | ||
| 321 | T | 37.6 | Very low | 34.6 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -98.2 | 2 | -173.8 | 50.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 322 | Q | 35 | Very low | 35.2 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -122.9 | 18 | -173.7 | -153.7 | 161.8 | -2.6 | 0 | 0 | 117.2 | ||
| 323 | H | 32.8 | Very low | 35.9 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 83% | 0.833 | 68% | 0.681 | S | S | * | * | trans | -128.5 | 60 | 170.9 | -94.2 | 36.2 | 0 | 0 | 0 | 112.5 | R325 | H323-R325 VanDerWaalsContact C-N 3.31Š| ||
| 324 | Q | 32.9 | Very low | 36.5 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | trans | -89.8 | 23.6 | 166.5 | -93.3 | -170.4 | -19.7 | 0 | 0 | 113.6 | ||||
| 325 | R | 28.7 | Very low | 37.2 | Very low | 232 Ų | 232 | 121.9 Ų | 121.9 | 88% | 0.875 | 63% | 0.625 | S | S | * | * | trans | -135.4 | 77.8 | -178.4 | -72.2 | -173.4 | 172.2 | -166.2 | -2.3 | 112.4 | H323 | H323-R325 VanDerWaalsContact C-N 3.31Š| ||
| 326 | T | 34.1 | Very low | 37.9 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | trans | -176.7 | 101.9 | 146.7 | 17.7 | 0 | 0 | 0 | 0 | 109.3 | L328 | T326-L328 VanDerWaalsContact C-N 3.35Å; T326-L328 PolarHBondContact O-N 2.8Å | ||
| 327 | I | 40.9 | Very low | 38.8 | Very low | 154 Ų | 154 | 114.5 Ų | 114.5 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 12.6 | -164.5 | -79.2 | 172.7 | 0 | 0 | 0 | 114.8 | ||
| 328 | L | 33.3 | Very low | 39.9 | Very low | 171 Ų | 171 | 106.3 Ų | 106.3 | 90% | 0.895 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 17.6 | -172.1 | -77.4 | 166.5 | 0 | 0 | 0 | 117.3 | T326 | T326-L328 VanDerWaalsContact C-N 3.35Å; T326-L328 PolarHBondContact O-N 2.8Å |
| 329 | S | 40.4 | Very low | 41.1 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -140.8 | 2.1 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 115.7 | S331 F332 I333 | S329-S331 PolarHBondContact O-N 2.95Å; S329-F332 PolarHBondContact O-N 3.31Å; S329-I333 WeakPolarHBondContact O-CG1 3.45Å; S329-I333 PolarHBondContact O-N 2.97Å; S329-I333 VanDerWaalsContact O-N 3.09Å |
| 330 | L | 39.3 | Very low | 42.2 | Very low | 103 Ų | 103 | 104.1 Ų | 104.1 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | -176.5 | -90.6 | 151.2 | 0 | 0 | 0 | 113.4 | V334 | L330-V334 VanDerWaalsContact O-CB 3.27Å; L330-V334 WeakPolarHBondContact O-CB 3.48Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 2.9Å |
| 331 | S | 46.6 | Very low | 42.9 | Very low | 37 Ų | 37 | 102.9 Ų | 102.9 | 26% | 0.259 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 178.1 | 34.2 | 0 | 0 | 0 | 0 | 112.3 | S329 V334 I335 | S329-S331 PolarHBondContact O-N 2.95Å; S331-V334 PolarHBondContact O-N 3.34Å; S331-I335 VanDerWaalsContact O-CG1 3.31Å; S331-I335 WeakPolarHBondContact O-CG1 3.4Å; S331-I335 PolarHBondContact O-N 2.96Å |
| 332 | F | 43.2 | Very low | 43.3 | Very low | 69 Ų | 69 | 101.7 Ų | 101.7 | 30% | 0.303 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 176.2 | -172.2 | -102.1 | 0 | 0 | 0 | 111.7 | Y249 A253 S329 V334 I335 V336 | Y249-F332 AromaticContact CE1-CE1 3.83Å; Y249-F332 HydrophobicContact CE1-CE1 3.83Å; Y249-F332 AromaticContact CE1-CZ 3.57Å; Y249-F332 HydrophobicContact CE1-CZ 3.57Å; Y249-F332 AromaticContact CZ-CZ 3.89Å; Y249-F332 WeakPolarHBondContact OH-CZ 3.4Å; A253-F332 HydrophobicContact CB-CZ 4.27Å; S329-F332 PolarHBondContact O-N 3.31Å; F332-V334 VanDerWaalsContact C-N 3.3Å; F332-V334 PolarHBondContact O-N 3.43Å; F332-I335 PolarHBondContact O-N 3.28Å; F332-V336 HydrophobicContact CD1-CG2 4.11Å; F332-V336 HydrophobicContact CE1-CG2 3.83Å; F332-V336 HydrophobicContact CE2-CG2 4.46Å; F332-V336 HydrophobicContact CZ-CG2 4.04Å; F332-V336 WeakPolarHBondContact O-CB 3.47Å; F332-V336 WeakPolarHBondContact O-CG2 3.21Å; F332-V336 PolarHBondContact O-N 2.82Å |
| 333 | I | 45.9 | Very low | 43.9 | Very low | 72 Ų | 72 | 99 Ų | 99 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.1 | -68.8 | 171.8 | 0 | 0 | 0 | 110.3 | S329 V336 I337 | S329-I333 WeakPolarHBondContact O-CG1 3.45Å; S329-I333 PolarHBondContact O-N 2.97Å; S329-I333 VanDerWaalsContact O-N 3.09Å; I333-V336 PolarHBondContact O-N 3.43Å; I333-I337 HydrophobicContact CG2-CD1 3.28Å; I333-I337 HydrophobicContact CG2-CG1 3.84Å; I333-I337 WeakPolarHBondContact O-CA 3.2Å; I333-I337 WeakPolarHBondContact O-CB 3.15Å; I333-I337 WeakPolarHBondContact O-CG1 3.09Å; I333-I337 PolarHBondContact O-N 3.48Å |
| 334 | V | 49.3 | Very low | 44.3 | Very low | 48 Ų | 48 | 94.3 Ų | 94.3 | 29% | 0.291 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | L330 S331 F332 S338 | L330-V334 VanDerWaalsContact O-CB 3.27Å; L330-V334 WeakPolarHBondContact O-CB 3.48Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 2.9Å; S331-V334 PolarHBondContact O-N 3.34Å; F332-V334 VanDerWaalsContact C-N 3.3Å; F332-V334 PolarHBondContact O-N 3.43Å; V334-S338 WeakPolarHBondContact O-CA 3.44Å; V334-S338 WeakPolarHBondContact O-CB 3.34Å; V334-S338 PolarHBondContact O-N 3.19Å; V334-S338 PolarHBondContact O-OG 3.41Å |
| 335 | I | 51.9 | Low | 44.8 | Very low | 29 Ų | 29 | 92.2 Ų | 92.2 | 15% | 0.149 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63 | -49.4 | 173.6 | -68 | 165.6 | 0 | 0 | 0 | 109.7 | Q117 S331 F332 Y339 | Q117-I335 HydrophobicContact CG-CG1 4.24Å; S331-I335 VanDerWaalsContact O-CG1 3.31Å; S331-I335 WeakPolarHBondContact O-CG1 3.4Å; S331-I335 PolarHBondContact O-N 2.96Å; F332-I335 PolarHBondContact O-N 3.28Å; I335-Y339 WeakPolarHBondContact O-CB 3.44Å; I335-Y339 PolarHBondContact O-N 2.63Å |
| 336 | V | 50.1 | Low | 45.5 | Very low | 37 Ų | 37 | 87.9 Ų | 87.9 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F332 I333 Y339 L340 | F332-V336 HydrophobicContact CD1-CG2 4.11Å; F332-V336 HydrophobicContact CE1-CG2 3.83Å; F332-V336 HydrophobicContact CE2-CG2 4.46Å; F332-V336 HydrophobicContact CZ-CG2 4.04Å; F332-V336 WeakPolarHBondContact O-CB 3.47Å; F332-V336 WeakPolarHBondContact O-CG2 3.21Å; F332-V336 PolarHBondContact O-N 2.82Å; I333-V336 PolarHBondContact O-N 3.43Å; V336-Y339 WeakPolarHBondContact O-CB 3.18Å; V336-Y339 PolarHBondContact O-N 3.13Å; V336-L340 HydrophobicContact CG1-CD1 3.74Å; V336-L340 HydrophobicContact CG1-CG 4.16Å; V336-L340 WeakPolarHBondContact O-CB 3.29Å; V336-L340 WeakPolarHBondContact O-CG 3.35Å; V336-L340 PolarHBondContact O-N 3.4Å |
| 337 | I | 50.3 | Low | 45.9 | Very low | 80 Ų | 80 | 89.3 Ų | 89.3 | 41% | 0.41 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 177.9 | -71.8 | -178.6 | 0 | 0 | 0 | 110.7 | I333 Y339 L340 L341 | I333-I337 HydrophobicContact CG2-CD1 3.28Å; I333-I337 HydrophobicContact CG2-CG1 3.84Å; I333-I337 WeakPolarHBondContact O-CA 3.2Å; I333-I337 WeakPolarHBondContact O-CB 3.15Å; I333-I337 WeakPolarHBondContact O-CG1 3.09Å; I333-I337 PolarHBondContact O-N 3.48Å; I337-Y339 VanDerWaalsContact C-N 3.27Å; I337-Y339 PolarHBondContact O-N 2.98Å; I337-L340 PolarHBondContact O-N 2.98Å; I337-L341 HydrophobicContact CG2-CD1 3.46Å; I337-L341 VanDerWaalsContact CG2-CD1 3.46Å; I337-L341 HydrophobicContact CG2-CG 3.91Å; I337-L341 WeakPolarHBondContact O-CB 3.48Å; I337-L341 WeakPolarHBondContact O-CG 3.31Å; I337-L341 PolarHBondContact O-N 2.85Å |
| 338 | S | 52.4 | Low | 46.1 | Very low | 56 Ų | 56 | 86.1 Ų | 86.1 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | V334 N342 | V334-S338 WeakPolarHBondContact O-CA 3.44Å; V334-S338 WeakPolarHBondContact O-CB 3.34Å; V334-S338 PolarHBondContact O-N 3.19Å; V334-S338 PolarHBondContact O-OG 3.41Å; S338-N342 WeakPolarHBondContact O-CB 3.47Å; S338-N342 PolarHBondContact O-N 3.34Å |
| 339 | Y | 52.7 | Low | 46.8 | Very low | 62 Ų | 62 | 81.6 Ų | 81.6 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 172.7 | 175.5 | -110.9 | 0 | 0 | 0 | 112.6 | L159 D188 I335 V336 I337 L341 N342 K343 | L159-Y339 HydrophobicContact CD1-CE2 4.14Å; L159-Y339 WeakPolarHBondContact CD1-OH 3.41Å; D188-Y339 PolarHBondContact OD2-OH 3Å; I335-Y339 WeakPolarHBondContact O-CB 3.44Å; I335-Y339 PolarHBondContact O-N 2.63Å; V336-Y339 WeakPolarHBondContact O-CB 3.18Å; V336-Y339 PolarHBondContact O-N 3.13Å; I337-Y339 VanDerWaalsContact C-N 3.27Å; I337-Y339 PolarHBondContact O-N 2.98Å; Y339-L341 PolarHBondContact O-N 2.95Å; Y339-N342 PolarHBondContact O-N 2.92Å; Y339-K343 WeakPolarHBondContact O-CB 3.35Å; Y339-K343 PolarHBondContact O-N 3.48Å |
| 340 | L | 53.2 | Low | 47.2 | Very low | 92 Ų | 92 | 83 Ų | 83 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 179.5 | -71.4 | 175.2 | 0 | 0 | 0 | 112.6 | V336 I337 K343 S344 | V336-L340 HydrophobicContact CG1-CD1 3.74Å; V336-L340 HydrophobicContact CG1-CG 4.16Å; V336-L340 WeakPolarHBondContact O-CB 3.29Å; V336-L340 WeakPolarHBondContact O-CG 3.35Å; V336-L340 PolarHBondContact O-N 3.4Å; I337-L340 PolarHBondContact O-N 2.98Å; L340-K343 WeakPolarHBondContact O-CB 3.5Å; L340-K343 PolarHBondContact O-N 2.73Å; L340-S344 WeakPolarHBondContact O-CB 3.37Å; L340-S344 PolarHBondContact O-N 2.92Å |
| 341 | L | 50.5 | Low | 47.6 | Very low | 99 Ų | 99 | 81.8 Ų | 81.8 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 174.4 | -73.6 | 173.2 | 0 | 0 | 0 | 111.3 | I337 Y339 K343 S344 L345 | I337-L341 HydrophobicContact CG2-CD1 3.46Å; I337-L341 VanDerWaalsContact CG2-CD1 3.46Å; I337-L341 HydrophobicContact CG2-CG 3.91Å; I337-L341 WeakPolarHBondContact O-CB 3.48Å; I337-L341 WeakPolarHBondContact O-CG 3.31Å; I337-L341 PolarHBondContact O-N 2.85Å; Y339-L341 PolarHBondContact O-N 2.95Å; L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 PolarHBondContact O-N 2.77Å; L341-S344 PolarHBondContact O-N 3Å; L341-L345 WeakPolarHBondContact O-CB 3.16Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 3.42Å |
| 342 | N | 46.7 | Very low | 47.7 | Very low | 94 Ų | 94 | 84.6 Ų | 84.6 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.2 | -25.3 | 176.8 | -143.4 | 0.3 | 0 | 0 | 0 | 112.1 | S338 Y339 | S338-N342 WeakPolarHBondContact O-CB 3.47Å; S338-N342 PolarHBondContact O-N 3.34Å; Y339-N342 PolarHBondContact O-N 2.92Å |
| 343 | K | 46.1 | Very low | 48 | Very low | 113 Ų | 113 | 85.7 Ų | 85.7 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.2 | -50 | 167.4 | -169.4 | 176.5 | 179.6 | 178.3 | 0 | 110.6 | Y339 L340 L341 L345 K346 D347 | Y339-K343 WeakPolarHBondContact O-CB 3.35Å; Y339-K343 PolarHBondContact O-N 3.48Å; L340-K343 WeakPolarHBondContact O-CB 3.5Å; L340-K343 PolarHBondContact O-N 2.73Å; L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 PolarHBondContact O-N 2.77Å; K343-L345 VanDerWaalsContact C-N 3.31Å; K343-L345 PolarHBondContact O-N 2.82Å; K343-K346 PolarHBondContact O-N 3.4Å; K343-D347 PolarHBondContact O-N 3.2Å |
| 344 | S | 42.8 | Very low | 48.1 | Very low | 80 Ų | 80 | 86.6 Ų | 86.6 | 56% | 0.559 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63 | -28.9 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 114.8 | L340 L341 | L340-S344 WeakPolarHBondContact O-CB 3.37Å; L340-S344 PolarHBondContact O-N 2.92Å; L341-S344 PolarHBondContact O-N 3Å |
| 345 | L | 41.6 | Very low | 48.1 | Very low | 142 Ų | 142 | 89.6 Ų | 89.6 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.2 | 177.8 | -73.5 | 167.8 | 0 | 0 | 0 | 114 | L341 K343 | L341-L345 WeakPolarHBondContact O-CB 3.16Å; L341-L345 VanDerWaalsContact O-CG 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 3.42Å; K343-L345 VanDerWaalsContact C-N 3.31Å; K343-L345 PolarHBondContact O-N 2.82Å |
| 346 | K | 44.1 | Very low | 47.7 | Very low | 141 Ų | 141 | 94.7 Ų | 94.7 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -9.5 | 178.9 | -76.9 | -176.9 | 179.1 | 177.8 | 0 | 114 | K343 | K343-K346 PolarHBondContact O-N 3.4Š|
| 347 | D | 42.4 | Very low | 47.5 | Very low | 140 Ų | 140 | 99.9 Ų | 99.9 | 75% | 0.749 | 52% | 0.519 | S | S | * | . | trans | -96.7 | 0 | 168.3 | -59.5 | -29.3 | 0 | 0 | 0 | 110.1 | R304 K343 | R304-D347 PolarHBondContact NH2-O 2.88Å; R304-D347 PolarHBondContact NH2-OXT 3.49Å; K343-D347 PolarHBondContact O-N 3.2Å |
Retrieved 347 of 347 residues in 77.7 ms
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