| 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 | 54.7 | Low | 52.2 | Low | 185 Ų | 185 | 111 Ų | 111 | 91% | 0.911 | 59% | 0.588 | S | S | * | * | 0 | -70.3 | 0 | -114.7 | 175.9 | 76.8 | 0 | 0 | 113.5 | T3 E4 M5 | M1-T3 PolarHBondContact O-N 2.92Å; M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.13Å; M1-E4 PolarHBondContact O-N 3Å; M1-M5 WeakPolarHBondContact O-CB 3.42Å; M1-M5 PolarHBondContact O-N 3Å | |||
| 2 | E | 52.3 | Low | 52.1 | Low | 149 Ų | 149 | 111.3 Ų | 111.3 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.4 | -35.8 | -174.2 | -151 | 177.2 | -178.1 | 0 | 0 | 113.8 | K6 | E2-K6 PolarHBondContact O-N 3.14Å; E2-K6 VanDerWaalsContact O-N 3.08Å |
| 3 | T | 52.3 | Low | 51.7 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 68% | 0.675 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.6 | -35.1 | 174.2 | -37.6 | 0 | 0 | 0 | 0 | 112.5 | M1 T7 | M1-T3 PolarHBondContact O-N 2.92Å; T3-T7 WeakPolarHBondContact O-CB 3.36Å; T3-T7 PolarHBondContact O-N 2.65Å; T3-T7 PolarHBondContact O-OG1 2.93Å |
| 4 | E | 53.5 | Low | 51.8 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 60% | 0.598 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.3 | -42.4 | 175.2 | -72.6 | 159.4 | 148.2 | 0 | 0 | 110.8 | M1 K6 T7 Q8 | M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.13Å; M1-E4 PolarHBondContact O-N 3Å; E4-K6 PolarHBondContact O-N 2.78Å; E4-T7 PolarHBondContact O-N 3.16Å; E4-Q8 VanDerWaalsContact O-CB 3.27Å; E4-Q8 WeakPolarHBondContact O-CB 2.92Å; E4-Q8 PolarHBondContact O-N 3.26Å |
| 5 | M | 53.3 | Low | 52.3 | Low | 127 Ų | 127 | 111.7 Ų | 111.7 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.1 | -44.4 | 175.6 | -127.5 | 176.5 | 73.3 | 0 | 0 | 111.6 | M1 T7 Q8 T9 | M1-M5 WeakPolarHBondContact O-CB 3.42Å; M1-M5 PolarHBondContact O-N 3Å; M5-T7 PolarHBondContact O-N 3.14Å; M5-Q8 PolarHBondContact O-N 2.82Å; M5-T9 WeakPolarHBondContact O-CB 3.41Å; M5-T9 PolarHBondContact O-N 3Å; M5-T9 PolarHBondContact O-OG1 3.11Å |
| 6 | K | 52.4 | Low | 53.1 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -38.8 | 175.4 | -79 | -178.9 | 178.5 | 175 | 0 | 113.1 | E2 E4 A10 | E2-K6 PolarHBondContact O-N 3.14Å; E2-K6 VanDerWaalsContact O-N 3.08Å; E4-K6 PolarHBondContact O-N 2.78Å; K6-A10 VanDerWaalsContact O-CB 3.31Å; K6-A10 WeakPolarHBondContact O-CB 3.44Å; K6-A10 PolarHBondContact O-N 2.91Å |
| 7 | T | 50.1 | Low | 54.7 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.4 | -37 | 178.3 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | T3 E4 M5 A11 | T3-T7 WeakPolarHBondContact O-CB 3.36Å; T3-T7 PolarHBondContact O-N 2.65Å; T3-T7 PolarHBondContact O-OG1 2.93Å; E4-T7 PolarHBondContact O-N 3.16Å; M5-T7 PolarHBondContact O-N 3.14Å; T7-A11 VanDerWaalsContact O-CB 3.31Å; T7-A11 WeakPolarHBondContact O-CB 3.29Å; T7-A11 PolarHBondContact O-N 3.45Å |
| 8 | Q | 48.9 | Very low | 57 | Low | 120 Ų | 120 | 112.8 Ų | 112.8 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.6 | -41.4 | 178.4 | -162.4 | 157.5 | 1.5 | 0 | 0 | 112.1 | E4 M5 A10 A11 E12 | E4-Q8 VanDerWaalsContact O-CB 3.27Å; E4-Q8 WeakPolarHBondContact O-CB 2.92Å; E4-Q8 PolarHBondContact O-N 3.26Å; M5-Q8 PolarHBondContact O-N 2.82Å; Q8-A10 PolarHBondContact O-N 3.08Å; Q8-A11 PolarHBondContact O-N 2.99Å; Q8-E12 WeakPolarHBondContact O-CB 3.42Å; Q8-E12 VanDerWaalsContact O-CG 3.29Å; Q8-E12 WeakPolarHBondContact O-CG 3.36Å; Q8-E12 PolarHBondContact O-N 3.45Å |
| 9 | T | 52.8 | Low | 59 | Low | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 173.3 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | M5 Q13 | M5-T9 WeakPolarHBondContact O-CB 3.41Å; M5-T9 PolarHBondContact O-N 3Å; M5-T9 PolarHBondContact O-OG1 3.11Å; T9-Q13 WeakPolarHBondContact O-CB 3.43Å; T9-Q13 VanDerWaalsContact O-CG 3.29Å; T9-Q13 WeakPolarHBondContact O-CG 3.36Å; T9-Q13 PolarHBondContact O-N 3.48Å |
| 10 | A | 50.9 | Low | 60.9 | Low | 45 Ų | 45 | 101.9 Ų | 101.9 | 37% | 0.372 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K6 Q8 Q13 M14 | K6-A10 VanDerWaalsContact O-CB 3.31Å; K6-A10 WeakPolarHBondContact O-CB 3.44Å; K6-A10 PolarHBondContact O-N 2.91Å; Q8-A10 PolarHBondContact O-N 3.08Å; A10-Q13 PolarHBondContact O-N 2.96Å; A10-M14 WeakPolarHBondContact O-CB 3.46Å; A10-M14 WeakPolarHBondContact O-CG 3.42Å; A10-M14 PolarHBondContact O-N 3.25Å |
| 11 | A | 53.4 | Low | 62.5 | Low | 50 Ų | 50 | 100.4 Ų | 100.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | T7 Q8 M14 T15 | T7-A11 VanDerWaalsContact O-CB 3.31Å; T7-A11 WeakPolarHBondContact O-CB 3.29Å; T7-A11 PolarHBondContact O-N 3.45Å; Q8-A11 PolarHBondContact O-N 2.99Å; A11-M14 PolarHBondContact O-N 2.93Å; A11-T15 WeakPolarHBondContact O-CG2 3.22Å; A11-T15 PolarHBondContact O-N 2.97Å; A11-T15 PolarHBondContact O-OG1 3.41Å |
| 12 | E | 50.2 | Low | 64.6 | Low | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.5 | -75 | 170.2 | 178.7 | 0 | 0 | 112.1 | Q8 T15 D16 | Q8-E12 WeakPolarHBondContact O-CB 3.42Å; Q8-E12 VanDerWaalsContact O-CG 3.29Å; Q8-E12 WeakPolarHBondContact O-CG 3.36Å; Q8-E12 PolarHBondContact O-N 3.45Å; E12-T15 WeakPolarHBondContact CA-OG1 3.37Å; E12-T15 PolarHBondContact O-N 3.36Å; E12-T15 PolarHBondContact O-OG1 2.67Å; E12-D16 PolarHBondContact O-N 3.06Å |
| 13 | Q | 47.7 | Very low | 66.7 | Low | 134 Ų | 134 | 86.3 Ų | 86.3 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.1 | -32.6 | 173.5 | -77.7 | -178.2 | -20.1 | 0 | 0 | 113.3 | T9 A10 | T9-Q13 WeakPolarHBondContact O-CB 3.43Å; T9-Q13 VanDerWaalsContact O-CG 3.29Å; T9-Q13 WeakPolarHBondContact O-CG 3.36Å; T9-Q13 PolarHBondContact O-N 3.48Å; A10-Q13 PolarHBondContact O-N 2.96Å |
| 14 | M | 53.2 | Low | 68.8 | Low | 132 Ų | 132 | 84.6 Ų | 84.6 | 65% | 0.65 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.1 | -41.3 | 173 | -77 | 174.9 | 66.6 | 0 | 0 | 111.2 | A10 A11 D16 R17 D18 | A10-M14 WeakPolarHBondContact O-CB 3.46Å; A10-M14 WeakPolarHBondContact O-CG 3.42Å; A10-M14 PolarHBondContact O-N 3.25Å; A11-M14 PolarHBondContact O-N 2.93Å; M14-D16 VanDerWaalsContact C-N 3.32Å; M14-D16 PolarHBondContact O-N 3.19Å; M14-R17 PolarHBondContact O-N 2.83Å; M14-D18 PolarHBondContact O-N 3.08Å |
| 15 | T | 58.5 | Low | 70.8 | Confident | 73 Ų | 73 | 85.7 Ų | 85.7 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.7 | -28.6 | 178.3 | 49 | 0 | 0 | 0 | 0 | 114.2 | A11 E12 R17 D18 | A11-T15 WeakPolarHBondContact O-CG2 3.22Å; A11-T15 PolarHBondContact O-N 2.97Å; A11-T15 PolarHBondContact O-OG1 3.41Å; E12-T15 WeakPolarHBondContact CA-OG1 3.37Å; E12-T15 PolarHBondContact O-N 3.36Å; E12-T15 PolarHBondContact O-OG1 2.67Å; T15-R17 PolarHBondContact O-N 2.83Å; T15-D18 PolarHBondContact O-N 3.22Å |
| 16 | D | 66.1 | Low | 72.9 | Confident | 114 Ų | 114 | 82.5 Ų | 82.5 | 61% | 0.61 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -74.9 | -16.5 | 174.7 | -160.6 | 38.5 | 0 | 0 | 0 | 112.3 | E12 M14 Q22 | E12-D16 PolarHBondContact O-N 3.06Å; M14-D16 VanDerWaalsContact C-N 3.32Å; M14-D16 PolarHBondContact O-N 3.19Å; D16-Q22 PolarHBondContact O-NE2 3.4Å |
| 17 | R | 80.4 | Confident | 75 | Confident | 195 Ų | 195 | 75.7 Ų | 75.7 | 74% | 0.736 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -95.1 | -11.8 | 175.1 | -70.9 | -166.2 | 177.9 | -163.5 | -0.1 | 114.5 | M14 T15 L19 Q22 R201 | M14-R17 PolarHBondContact O-N 2.83Å; T15-R17 PolarHBondContact O-N 2.83Å; R17-L19 PolarHBondContact O-N 2.87Å; R17-Q22 VanDerWaalsContact CA-NE2 3.35Å; R17-Q22 PolarHBondContact O-NE2 3.35Å; R17-R201 PolarHBondContact O-NH1 2.95Å |
| 18 | D | 94.8 | Very high | 77.2 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | trans | -63.5 | 122.6 | 179.6 | -83.8 | -16.7 | 0 | 0 | 0 | 110.7 | M14 T15 S20 E21 Q22 N192 | M14-D18 PolarHBondContact O-N 3.08Å; T15-D18 PolarHBondContact O-N 3.22Å; D18-S20 PolarHBondContact O-N 3.48Å; D18-S20 VanDerWaalsContact O-N 3.16Å; D18-E21 PolarHBondContact O-N 3.37Å; D18-E21 VanDerWaalsContact O-N 3.15Å; D18-Q22 WeakPolarHBondContact O-CG 3.49Å; D18-Q22 PolarHBondContact O-N 3.02Å; D18-N192 WeakPolarHBondContact CB-ND2 3.24Å; D18-N192 PolarHBondContact OD1-ND2 2.94Å; D18-N192 PolarHBondContact OD2-ND2 3.3Å | ||
| 19 | L | 96.3 | Very high | 79.5 | Confident | 2 Ų | 2 | 81.1 Ų | 81.1 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.6 | -35.1 | -179.6 | -177.3 | 59.9 | 0 | 0 | 0 | 111.1 | R17 Q22 I23 V136 M191 N192 L196 V204 L205 | R17-L19 PolarHBondContact O-N 2.87Å; L19-Q22 PolarHBondContact O-N 2.84Å; L19-I23 HydrophobicContact CD1-CD1 4.06Å; L19-I23 HydrophobicContact CD1-CG1 4.12Å; L19-I23 HydrophobicContact CG-CD1 3.92Å; L19-I23 HydrophobicContact CG-CG1 4.37Å; L19-I23 WeakPolarHBondContact O-CB 3.4Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 3.48Å; L19-V136 HydrophobicContact CD2-CG1 4.35Å; L19-M191 HydrophobicContact CB-CG 4.44Å; L19-M191 HydrophobicContact CD2-CG 3.81Å; L19-M191 HydrophobicContact CG-CG 4.18Å; L19-N192 PolarHBondContact N-OD1 3.27Å; L19-L196 HydrophobicContact CD1-CD1 4.41Å; L19-L196 HydrophobicContact CD2-CD1 3.88Å; L19-V204 HydrophobicContact CD1-CG1 3.98Å; L19-V204 HydrophobicContact CD2-CG1 4.36Å; L19-L205 HydrophobicContact CD1-CD2 4.19Å |
| 20 | S | 95.7 | Very high | 81.6 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.028 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 178.1 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | D18 K24 N192 | D18-S20 PolarHBondContact O-N 3.48Å; D18-S20 VanDerWaalsContact O-N 3.16Å; S20-K24 VanDerWaalsContact O-CB 3.26Å; S20-K24 WeakPolarHBondContact O-CB 3.45Å; S20-K24 PolarHBondContact O-N 3.23Å; S20-K24 VanDerWaalsContact O-N 3.09Å; S20-N192 WeakPolarHBondContact CB-OD1 3.39Å; S20-N192 PolarHBondContact N-OD1 3.12Å; S20-N192 PolarHBondContact OG-ND2 3.32Å; S20-N192 VanDerWaalsContact OG-ND2 3.12Å; S20-N192 PolarHBondContact OG-OD1 3.19Å; S20-N192 VanDerWaalsContact OG-OD1 3.14Å |
| 21 | E | 96 | Very high | 83.6 | Confident | 72 Ų | 72 | 79 Ų | 79 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.5 | -34.3 | 179.5 | -68.8 | -54.9 | 122.2 | 0 | 0 | 110.7 | D18 K24 K25 | D18-E21 PolarHBondContact O-N 3.37Å; D18-E21 VanDerWaalsContact O-N 3.15Å; E21-K24 PolarHBondContact O-N 3.06Å; E21-K24 IonicContact OE1-NZ 3.5Å; E21-K24 PolarHBondContact OE1-NZ 3.44Å; E21-K24 IonicContact OE2-NZ 2.86Å; E21-K24 PolarHBondContact OE2-NZ 3.33Å; E21-K25 VanDerWaalsContact O-CB 3.28Å; E21-K25 WeakPolarHBondContact O-CB 3.4Å; E21-K25 PolarHBondContact O-N 3.03Å |
| 22 | Q | 97.3 | Very high | 85.6 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 173.2 | -68 | 179.1 | 11.7 | 0 | 0 | 112 | D16 R17 D18 L19 K24 K25 V26 L205 | D16-Q22 PolarHBondContact O-NE2 3.4Å; R17-Q22 VanDerWaalsContact CA-NE2 3.35Å; R17-Q22 PolarHBondContact O-NE2 3.35Å; D18-Q22 WeakPolarHBondContact O-CG 3.49Å; D18-Q22 PolarHBondContact O-N 3.02Å; L19-Q22 PolarHBondContact O-N 2.84Å; Q22-K24 PolarHBondContact O-N 3.22Å; Q22-K25 WeakPolarHBondContact O-CB 3.39Å; Q22-K25 PolarHBondContact O-N 3.16Å; Q22-V26 WeakPolarHBondContact O-CG2 3.41Å; Q22-V26 PolarHBondContact O-N 2.84Å; Q22-L205 HydrophobicContact CB-CD1 4.28Å; Q22-L205 HydrophobicContact CB-CD2 3.66Å |
| 23 | I | 97.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.1 | -51.8 | 176.3 | -72.6 | 175 | 0 | 0 | 0 | 109.8 | L19 K25 V26 T27 Y140 M191 V204 L205 A208 | L19-I23 HydrophobicContact CD1-CD1 4.06Å; L19-I23 HydrophobicContact CD1-CG1 4.12Å; L19-I23 HydrophobicContact CG-CD1 3.92Å; L19-I23 HydrophobicContact CG-CG1 4.37Å; L19-I23 WeakPolarHBondContact O-CB 3.4Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 3.48Å; I23-K25 PolarHBondContact O-N 3.08Å; I23-V26 WeakPolarHBondContact O-CG2 3.42Å; I23-V26 PolarHBondContact O-N 3.34Å; I23-T27 HydrophobicContact CG2-CG2 4.04Å; I23-T27 WeakPolarHBondContact O-CB 3.27Å; I23-T27 WeakPolarHBondContact O-CG2 3.45Å; I23-T27 PolarHBondContact O-N 3.28Å; I23-T27 PolarHBondContact O-OG1 3.31Å; I23-Y140 HydrophobicContact CB-CE1 4.39Å; I23-Y140 HydrophobicContact CG2-CD1 3.44Å; I23-Y140 VanDerWaalsContact CG2-CD1 3.44Å; I23-Y140 HydrophobicContact CG2-CE1 3.31Å; I23-Y140 HydrophobicContact CG2-CG 4.15Å; I23-M191 HydrophobicContact CD1-CE 4.41Å; I23-M191 HydrophobicContact CD1-SD 3.93Å; I23-V204 HydrophobicContact CD1-CG1 4.06Å; I23-L205 HydrophobicContact CB-CD2 4.47Å; I23-L205 HydrophobicContact CG1-CD2 3.69Å; I23-A208 HydrophobicContact CG1-CB 4.24Å; I23-A208 HydrophobicContact CG2-CB 3.8Å |
| 24 | K | 95.3 | Very high | 90.1 | Very high | 75 Ų | 75 | 74 Ų | 74 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.7 | -39.8 | 178.4 | 176.6 | -179.1 | 163.7 | -157.9 | 0 | 112.7 | S20 E21 Q22 R28 | S20-K24 VanDerWaalsContact O-CB 3.26Å; S20-K24 WeakPolarHBondContact O-CB 3.45Å; S20-K24 PolarHBondContact O-N 3.23Å; S20-K24 VanDerWaalsContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 3.06Å; E21-K24 IonicContact OE1-NZ 3.5Å; E21-K24 PolarHBondContact OE1-NZ 3.44Å; E21-K24 IonicContact OE2-NZ 2.86Å; E21-K24 PolarHBondContact OE2-NZ 3.33Å; Q22-K24 PolarHBondContact O-N 3.22Å; K24-R28 PolarHBondContact O-N 3.03Å |
| 25 | K | 96.6 | Very high | 92 | Very high | 151 Ų | 151 | 71.6 Ų | 71.6 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -51.7 | 177.5 | -178 | -179.6 | 178.5 | -178.3 | 0 | 111.5 | E21 Q22 I23 T27 R28 | E21-K25 VanDerWaalsContact O-CB 3.28Å; E21-K25 WeakPolarHBondContact O-CB 3.4Å; E21-K25 PolarHBondContact O-N 3.03Å; Q22-K25 WeakPolarHBondContact O-CB 3.39Å; Q22-K25 PolarHBondContact O-N 3.16Å; I23-K25 PolarHBondContact O-N 3.08Å; K25-T27 VanDerWaalsContact C-N 3.34Å; K25-T27 PolarHBondContact O-N 3.44Å; K25-R28 WeakPolarHBondContact O-CB 3.04Å; K25-R28 PolarHBondContact O-N 3.37Å |
| 26 | V | 97.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 72.6 Ų | 72.6 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.9 | -29.4 | -176.1 | -58 | 0 | 0 | 0 | 0 | 112.6 | Q22 I23 R28 L205 V209 | Q22-V26 WeakPolarHBondContact O-CG2 3.41Å; Q22-V26 PolarHBondContact O-N 2.84Å; I23-V26 WeakPolarHBondContact O-CG2 3.42Å; I23-V26 PolarHBondContact O-N 3.34Å; V26-R28 VanDerWaalsContact C-N 3.33Å; V26-L205 HydrophobicContact CG2-CB 4.24Å; V26-L205 HydrophobicContact CG2-CD2 4.14Å; V26-V209 HydrophobicContact CB-CG2 4.28Å; V26-V209 HydrophobicContact CG2-CG2 4.13Å |
| 27 | T | 97.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.4 | 179.3 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | I23 K25 E29 S30 H31 A208 V209 F212 | I23-T27 HydrophobicContact CG2-CG2 4.04Å; I23-T27 WeakPolarHBondContact O-CB 3.27Å; I23-T27 WeakPolarHBondContact O-CG2 3.45Å; I23-T27 PolarHBondContact O-N 3.28Å; I23-T27 PolarHBondContact O-OG1 3.31Å; K25-T27 VanDerWaalsContact C-N 3.34Å; K25-T27 PolarHBondContact O-N 3.44Å; T27-E29 VanDerWaalsContact C-N 3.35Å; T27-E29 PolarHBondContact O-N 2.87Å; T27-S30 PolarHBondContact O-N 3.45Å; T27-H31 WeakPolarHBondContact O-CB 3.36Å; T27-H31 PolarHBondContact O-N 3.15Å; T27-A208 HydrophobicContact CG2-CB 3.74Å; T27-V209 HydrophobicContact CG2-CG2 4.43Å; T27-F212 HydrophobicContact CG2-CD2 3.74Å; T27-F212 HydrophobicContact CG2-CE2 3.74Å |
| 28 | R | 96.3 | Very high | 95.8 | Very high | 170 Ų | 170 | 62.7 Ų | 62.7 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.6 | -47.2 | -173.5 | -177.9 | -178.1 | 175.1 | -173 | -1.5 | 112.6 | K24 K25 V26 V32 | K24-R28 PolarHBondContact O-N 3.03Å; K25-R28 WeakPolarHBondContact O-CB 3.04Å; K25-R28 PolarHBondContact O-N 3.37Å; V26-R28 VanDerWaalsContact C-N 3.33Å; R28-V32 WeakPolarHBondContact O-CG2 3.49Å; R28-V32 PolarHBondContact O-N 3.5Å |
| 29 | E | 96.9 | Very high | 95.7 | Very high | 158 Ų | 158 | 60.5 Ų | 60.5 | 74% | 0.738 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.6 | -43.5 | -178.6 | -64.8 | -173 | 170.2 | 0 | 0 | 112 | T27 H31 V32 R33 | T27-E29 VanDerWaalsContact C-N 3.35Å; T27-E29 PolarHBondContact O-N 2.87Å; E29-H31 VanDerWaalsContact C-N 3.31Å; E29-H31 PolarHBondContact O-N 3.25Å; E29-V32 PolarHBondContact O-N 3.43Å; E29-R33 PolarHBondContact O-N 3.33Å |
| 30 | S | 96.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -32.7 | 177 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | T27 R33 A34 F212 E213 | T27-S30 PolarHBondContact O-N 3.45Å; S30-R33 PolarHBondContact O-N 3.41Å; S30-R33 PolarHBondContact OG-NH2 3.38Å; S30-R33 VanDerWaalsContact OG-NH2 3.11Å; S30-A34 WeakPolarHBondContact O-CB 3.34Å; S30-A34 PolarHBondContact O-N 3.21Å; S30-F212 VanDerWaalsContact CB-CB 3.48Å; S30-E213 WeakPolarHBondContact CB-OE1 3.23Å; S30-E213 PolarHBondContact OG-OE1 3.09Å |
| 31 | H | 93.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 171 | -178.4 | -78.8 | 0 | 0 | 0 | 111.5 | T27 E29 R33 A34 E35 F212 | T27-H31 WeakPolarHBondContact O-CB 3.36Å; T27-H31 PolarHBondContact O-N 3.15Å; E29-H31 VanDerWaalsContact C-N 3.31Å; E29-H31 PolarHBondContact O-N 3.25Å; H31-R33 VanDerWaalsContact C-N 3.29Å; H31-R33 PolarHBondContact O-N 3.37Å; H31-A34 PolarHBondContact O-N 3.06Å; H31-E35 IonicContact CE1-OE1 2.8Å; H31-E35 PolarHBondContact CE1-OE1 3.49Å; H31-E35 IonicContact CE1-OE2 3.47Å; H31-E35 PolarHBondContact CE1-OE2 3.15Å; H31-E35 VanDerWaalsContact CE1-OE2 3.27Å; H31-E35 IonicContact ND1-OE1 3.52Å; H31-E35 IonicContact ND1-OE2 2.7Å; H31-E35 PolarHBondContact ND1-OE2 3.03Å; H31-E35 IonicContact NE2-OE1 3.59Å; H31-E35 WeakPolarHBondContact O-CG 3.29Å; H31-E35 PolarHBondContact O-N 3.07Å; H31-F212 HydrophobicContact CB-CD1 4.34Å; H31-F212 HydrophobicContact CB-CE1 3.73Å; H31-F212 HydrophobicContact CB-CZ 4.13Å; H31-F212 AromaticContact CD2-CE1 3.78Å; H31-F212 AromaticContact CD2-CZ 3.95Å |
| 32 | V | 95.8 | Very high | 95.4 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 177 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | R28 E29 E35 N36 | R28-V32 WeakPolarHBondContact O-CG2 3.49Å; R28-V32 PolarHBondContact O-N 3.5Å; E29-V32 PolarHBondContact O-N 3.43Å; V32-E35 PolarHBondContact O-N 3.43Å; V32-N36 PolarHBondContact O-N 3.46Å; V32-N36 PolarHBondContact O-ND2 3.09Å |
| 33 | R | 97.3 | Very high | 95.2 | Very high | 115 Ų | 115 | 58.6 Ų | 58.6 | 43% | 0.434 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176 | -74.4 | -165.3 | -67.7 | 120.2 | -0.9 | 112.6 | E29 S30 H31 E35 N36 T37 E213 I216 | E29-R33 PolarHBondContact O-N 3.33Å; S30-R33 PolarHBondContact O-N 3.41Å; S30-R33 PolarHBondContact OG-NH2 3.38Å; S30-R33 VanDerWaalsContact OG-NH2 3.11Å; H31-R33 VanDerWaalsContact C-N 3.29Å; H31-R33 PolarHBondContact O-N 3.37Å; R33-E35 VanDerWaalsContact C-N 3.34Å; R33-E35 PolarHBondContact O-N 3.12Å; R33-N36 CarbonylContact O-C 2.91Å; R33-N36 PolarHBondContact O-N 2.91Å; R33-N36 VanDerWaalsContact O-N 3.09Å; R33-T37 PolarHBondContact O-N 3.2Å; R33-E213 IonicContact CZ-OE1 3.12Å; R33-E213 IonicContact CZ-OE2 3.67Å; R33-E213 IonicContact NH1-OE1 3.84Å; R33-E213 IonicContact NH1-OE2 3.27Å; R33-E213 PolarHBondContact NH1-OE2 3.4Å; R33-E213 IonicContact NH2-OE1 3.19Å; R33-E213 PolarHBondContact NH2-OE1 3.28Å; R33-E213 IonicContact NH2-OE2 3.97Å; R33-E213 PolarHBondContact NH2-OE2 3.32Å; R33-E213 VanDerWaalsContact NH2-OE2 3.07Å; R33-I216 HydrophobicContact CB-CD1 3.86Å |
| 34 | A | 94.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S30 H31 N36 T37 M40 F212 I216 | S30-A34 WeakPolarHBondContact O-CB 3.34Å; S30-A34 PolarHBondContact O-N 3.21Å; H31-A34 PolarHBondContact O-N 3.06Å; A34-N36 PolarHBondContact O-N 3.26Å; A34-T37 WeakPolarHBondContact O-CG2 3.25Å; A34-T37 PolarHBondContact O-N 3.11Å; A34-T37 PolarHBondContact O-OG1 3.45Å; A34-M40 WeakPolarHBondContact O-CG 3.41Å; A34-F212 HydrophobicContact CB-CD1 4.14Å; A34-I216 HydrophobicContact CB-CD1 4.26Å; A34-I216 HydrophobicContact CB-CG1 3.84Å |
| 35 | E | 92.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -23.7 | 176.9 | -69.7 | -177.4 | 133.6 | 0 | 0 | 113.6 | H31 V32 R33 M40 Q44 | H31-E35 IonicContact CE1-OE1 2.8Å; H31-E35 PolarHBondContact CE1-OE1 3.49Å; H31-E35 IonicContact CE1-OE2 3.47Å; H31-E35 PolarHBondContact CE1-OE2 3.15Å; H31-E35 VanDerWaalsContact CE1-OE2 3.27Å; H31-E35 IonicContact ND1-OE1 3.52Å; H31-E35 IonicContact ND1-OE2 2.7Å; H31-E35 PolarHBondContact ND1-OE2 3.03Å; H31-E35 IonicContact NE2-OE1 3.59Å; H31-E35 WeakPolarHBondContact O-CG 3.29Å; H31-E35 PolarHBondContact O-N 3.07Å; V32-E35 PolarHBondContact O-N 3.43Å; R33-E35 VanDerWaalsContact C-N 3.34Å; R33-E35 PolarHBondContact O-N 3.12Å; E35-M40 WeakPolarHBondContact O-CB 3.29Å; E35-Q44 PolarHBondContact O-NE2 2.98Å |
| 36 | N | 95.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 7.3 | 179.6 | -75 | -74.2 | 0 | 0 | 0 | 113.9 | V32 R33 A34 L41 | V32-N36 PolarHBondContact O-N 3.46Å; V32-N36 PolarHBondContact O-ND2 3.09Å; R33-N36 CarbonylContact O-C 2.91Å; R33-N36 PolarHBondContact O-N 2.91Å; R33-N36 VanDerWaalsContact O-N 3.09Å; A34-N36 PolarHBondContact O-N 3.26Å; N36-L41 WeakPolarHBondContact O-CD1 3.47Å |
| 37 | T | 96 | Very high | 94.6 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -64.2 | 151.1 | 169.8 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | R33 A34 L39 M40 L41 I216 F219 | R33-T37 PolarHBondContact O-N 3.2Å; A34-T37 WeakPolarHBondContact O-CG2 3.25Å; A34-T37 PolarHBondContact O-N 3.11Å; A34-T37 PolarHBondContact O-OG1 3.45Å; T37-L39 PolarHBondContact O-N 3.24Å; T37-M40 PolarHBondContact O-N 3.32Å; T37-M40 VanDerWaalsContact O-N 3.12Å; T37-M40 WeakPolarHBondContact OG1-CB 3.41Å; T37-M40 WeakPolarHBondContact OG1-CG 3.43Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 2.92Å; T37-I216 HydrophobicContact CG2-CB 4.49Å; T37-I216 HydrophobicContact CG2-CG1 4.31Å; T37-I216 HydrophobicContact CG2-CG2 4.09Å; T37-F219 HydrophobicContact CG2-CB 4.27Å; T37-F219 HydrophobicContact CG2-CD2 4.17Å |
| 38 | E | 94 | Very high | 94.5 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.5 | -38.8 | -177.8 | -70.8 | -173.9 | 172.8 | 0 | 0 | 112.5 | S42 Q223 K227 | E38-S42 WeakPolarHBondContact O-CB 3.2Å; E38-S42 PolarHBondContact O-N 3.4Å; E38-Q223 HydrophobicContact CB-CG 4.12Å; E38-Q223 VanDerWaalsContact CB-NE2 3.33Å; E38-Q223 PolarHBondContact OE2-NE2 3.04Å; E38-Q223 VanDerWaalsContact OE2-NE2 3.09Å; E38-K227 VanDerWaalsContact CD-NZ 3.3Å; E38-K227 IonicContact OE1-NZ 3.22Å; E38-K227 PolarHBondContact OE1-NZ 3.33Å; E38-K227 WeakPolarHBondContact OE2-CE 3.31Å; E38-K227 IonicContact OE2-NZ 3.95Å; E38-K227 PolarHBondContact OE2-NZ 3.22Å |
| 39 | L | 92.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.8 | -175.8 | 65 | 0 | 0 | 0 | 111 | T37 S42 F43 Q52 L56 F219 L222 Q223 | T37-L39 PolarHBondContact O-N 3.24Å; L39-S42 VanDerWaalsContact O-CB 3.31Å; L39-S42 WeakPolarHBondContact O-CB 3.35Å; L39-S42 PolarHBondContact O-N 2.99Å; L39-F43 HydrophobicContact CD1-CE2 4.23Å; L39-F43 HydrophobicContact CG-CD2 4.37Å; L39-F43 HydrophobicContact CG-CE2 4.18Å; L39-F43 WeakPolarHBondContact O-CD2 3.46Å; L39-F43 PolarHBondContact O-N 3.36Å; L39-Q52 HydrophobicContact CD1-CB 3.87Å; L39-Q52 HydrophobicContact CD1-CG 4.04Å; L39-L56 HydrophobicContact CD2-CD1 4.34Å; L39-F219 HydrophobicContact CB-CB 4.29Å; L39-F219 HydrophobicContact CD2-CB 4.28Å; L39-F219 HydrophobicContact CD2-CD1 3.71Å; L39-F219 HydrophobicContact CD2-CE1 4.37Å; L39-F219 HydrophobicContact CD2-CG 4.17Å; L39-L222 HydrophobicContact CD2-CD1 3.96Å; L39-Q223 HydrophobicContact CB-CG 4.14Å |
| 40 | M | 93.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 179.8 | -68.9 | -57.3 | 103.2 | 0 | 0 | 112.2 | A34 E35 T37 S42 F43 Q44 F219 | A34-M40 WeakPolarHBondContact O-CG 3.41Å; E35-M40 WeakPolarHBondContact O-CB 3.29Å; T37-M40 PolarHBondContact O-N 3.32Å; T37-M40 VanDerWaalsContact O-N 3.12Å; T37-M40 WeakPolarHBondContact OG1-CB 3.41Å; T37-M40 WeakPolarHBondContact OG1-CG 3.43Å; M40-S42 VanDerWaalsContact C-N 3.28Å; M40-S42 PolarHBondContact O-N 3.21Å; M40-F43 HydrophobicContact CE-CD2 3.74Å; M40-F43 HydrophobicContact CE-CE2 3.91Å; M40-F43 WeakPolarHBondContact O-CB 3.5Å; M40-F43 PolarHBondContact O-N 2.86Å; M40-Q44 WeakPolarHBondContact O-CG 3.36Å; M40-Q44 PolarHBondContact O-N 2.86Å; M40-F219 HydrophobicContact CE-CD1 4.44Å; M40-F219 HydrophobicContact CE-CD2 4.45Å; M40-F219 HydrophobicContact CE-CE1 4.14Å; M40-F219 HydrophobicContact CE-CE2 4.14Å; M40-F219 HydrophobicContact CE-CZ 3.97Å; M40-F219 HydrophobicContact CG-CD2 4.11Å; M40-F219 HydrophobicContact CG-CE2 3.94Å; M40-F219 HydrophobicContact SD-CE2 4.24Å; M40-F219 HydrophobicContact SD-CZ 4.38Å |
| 41 | L | 94.8 | Very high | 94.1 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 171.9 | -69.6 | 174.6 | 0 | 0 | 0 | 111.8 | N36 T37 Q44 R45 | N36-L41 WeakPolarHBondContact O-CD1 3.47Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 2.92Å; L41-Q44 PolarHBondContact O-N 2.89Å; L41-R45 WeakPolarHBondContact O-CB 3.18Å; L41-R45 WeakPolarHBondContact O-CG 3.09Å; L41-R45 PolarHBondContact O-N 2.91Å |
| 42 | S | 93.4 | Very high | 94.2 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | E38 L39 M40 R45 G46 Q47 V48 | E38-S42 WeakPolarHBondContact O-CB 3.2Å; E38-S42 PolarHBondContact O-N 3.4Å; L39-S42 VanDerWaalsContact O-CB 3.31Å; L39-S42 WeakPolarHBondContact O-CB 3.35Å; L39-S42 PolarHBondContact O-N 2.99Å; M40-S42 VanDerWaalsContact C-N 3.28Å; M40-S42 PolarHBondContact O-N 3.21Å; S42-R45 PolarHBondContact O-N 2.72Å; S42-G46 PolarHBondContact O-N 3.26Å; S42-Q47 PolarHBondContact O-N 2.89Å; S42-Q47 PolarHBondContact OG-O 3.4Å; S42-Q47 VanDerWaalsContact OG-O 3.04Å; S42-V48 PolarHBondContact O-N 3.19Å; S42-V48 WeakPolarHBondContact OG-CA 3.38Å; S42-V48 PolarHBondContact OG-N 3.16Å |
| 43 | F | 92.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -55.3 | 169.4 | -85.3 | -85.7 | 0 | 0 | 0 | 111.4 | L39 M40 R45 G46 V48 Y53 L56 L153 I156 A157 | L39-F43 HydrophobicContact CD1-CE2 4.23Å; L39-F43 HydrophobicContact CG-CD2 4.37Å; L39-F43 HydrophobicContact CG-CE2 4.18Å; L39-F43 WeakPolarHBondContact O-CD2 3.46Å; L39-F43 PolarHBondContact O-N 3.36Å; M40-F43 HydrophobicContact CE-CD2 3.74Å; M40-F43 HydrophobicContact CE-CE2 3.91Å; M40-F43 WeakPolarHBondContact O-CB 3.5Å; M40-F43 PolarHBondContact O-N 2.86Å; F43-R45 PolarHBondContact O-N 2.87Å; F43-R45 VanDerWaalsContact O-N 3.09Å; F43-G46 WeakPolarHBondContact O-CA 3.13Å; F43-G46 PolarHBondContact O-N 3.32Å; F43-V48 HydrophobicContact CD1-CB 4.16Å; F43-V48 HydrophobicContact CD1-CG1 3.86Å; F43-V48 HydrophobicContact CD1-CG2 4.38Å; F43-V48 HydrophobicContact CD2-CB 4.34Å; F43-V48 HydrophobicContact CD2-CG2 4.17Å; F43-V48 HydrophobicContact CE1-CB 4.26Å; F43-V48 HydrophobicContact CE1-CG1 3.94Å; F43-V48 HydrophobicContact CE1-CG2 4.04Å; F43-V48 HydrophobicContact CE2-CB 4.43Å; F43-V48 HydrophobicContact CE2-CG2 3.8Å; F43-V48 HydrophobicContact CG-CB 4.21Å; F43-V48 HydrophobicContact CG-CG1 4.38Å; F43-V48 HydrophobicContact CG-CG2 4.45Å; F43-V48 HydrophobicContact CZ-CB 4.4Å; F43-V48 HydrophobicContact CZ-CG1 4.5Å; F43-V48 HydrophobicContact CZ-CG2 3.74Å; F43-Y53 HydrophobicContact CE1-CD2 4.48Å; F43-Y53 HydrophobicContact CZ-CD2 4.03Å; F43-L56 HydrophobicContact CE2-CD2 3.85Å; F43-L56 HydrophobicContact CZ-CD2 3.77Å; F43-L153 HydrophobicContact CB-CD2 3.66Å; F43-L153 HydrophobicContact CD1-CB 4.45Å; F43-L153 HydrophobicContact CD1-CD2 3.91Å; F43-L153 HydrophobicContact CG-CD2 3.89Å; F43-I156 HydrophobicContact CB-CG2 4.36Å; F43-I156 HydrophobicContact CD1-CG2 4.04Å; F43-I156 WeakPolarHBondContact O-CG2 3.47Å; F43-A157 HydrophobicContact CE1-CB 4.13Å |
| 44 | Q | 91.5 | Very high | 94.2 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.3 | -31.7 | -176.4 | -70.4 | 171.8 | -3.6 | 0 | 0 | 113.2 | E35 M40 L41 G46 | E35-Q44 PolarHBondContact O-NE2 2.98Å; M40-Q44 WeakPolarHBondContact O-CG 3.36Å; M40-Q44 PolarHBondContact O-N 2.86Å; L41-Q44 PolarHBondContact O-N 2.89Å; Q44-G46 VanDerWaalsContact C-N 3.32Å |
| 45 | R | 94.8 | Very high | 94.2 | Very high | 163 Ų | 163 | 50 Ų | 50 | 62% | 0.615 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4 | 175.8 | -66.3 | 171 | -168.2 | 166.8 | 5.1 | 114.1 | L41 S42 F43 Q47 | L41-R45 WeakPolarHBondContact O-CB 3.18Å; L41-R45 WeakPolarHBondContact O-CG 3.09Å; L41-R45 PolarHBondContact O-N 2.91Å; S42-R45 PolarHBondContact O-N 2.72Å; F43-R45 PolarHBondContact O-N 2.87Å; F43-R45 VanDerWaalsContact O-N 3.09Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 HydrophobicContact CB-CB 4.4Å; R45-Q47 HydrophobicContact CB-CG 4.03Å; R45-Q47 PolarHBondContact O-N 3.11Å |
| 46 | G | 94.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 27.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S42 F43 Q44 S160 | S42-G46 PolarHBondContact O-N 3.26Å; F43-G46 WeakPolarHBondContact O-CA 3.13Å; F43-G46 PolarHBondContact O-N 3.32Å; Q44-G46 VanDerWaalsContact C-N 3.32Å; G46-S160 VanDerWaalsContact CA-OG 3.25Å; G46-S160 WeakPolarHBondContact CA-OG 3.32Å; G46-S160 PolarHBondContact O-OG 2.75Å |
| 47 | Q | 93.9 | Very high | 94.6 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | trans | -111.7 | 13.6 | -175.2 | -67.7 | 176.9 | -23 | 0 | 0 | 112.8 | S42 R45 S49 | S42-Q47 PolarHBondContact O-N 2.89Å; S42-Q47 PolarHBondContact OG-O 3.4Å; S42-Q47 VanDerWaalsContact OG-O 3.04Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 HydrophobicContact CB-CB 4.4Å; R45-Q47 HydrophobicContact CB-CG 4.03Å; R45-Q47 PolarHBondContact O-N 3.11Å; Q47-S49 PolarHBondContact O-N 3.16Å | ||
| 48 | V | 94.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | trans | -66.2 | 124.2 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | S42 F43 Q52 I156 | S42-V48 PolarHBondContact O-N 3.19Å; S42-V48 WeakPolarHBondContact OG-CA 3.38Å; S42-V48 PolarHBondContact OG-N 3.16Å; F43-V48 HydrophobicContact CD1-CB 4.16Å; F43-V48 HydrophobicContact CD1-CG1 3.86Å; F43-V48 HydrophobicContact CD1-CG2 4.38Å; F43-V48 HydrophobicContact CD2-CB 4.34Å; F43-V48 HydrophobicContact CD2-CG2 4.17Å; F43-V48 HydrophobicContact CE1-CB 4.26Å; F43-V48 HydrophobicContact CE1-CG1 3.94Å; F43-V48 HydrophobicContact CE1-CG2 4.04Å; F43-V48 HydrophobicContact CE2-CB 4.43Å; F43-V48 HydrophobicContact CE2-CG2 3.8Å; F43-V48 HydrophobicContact CG-CB 4.21Å; F43-V48 HydrophobicContact CG-CG1 4.38Å; F43-V48 HydrophobicContact CG-CG2 4.45Å; F43-V48 HydrophobicContact CZ-CB 4.4Å; F43-V48 HydrophobicContact CZ-CG1 4.5Å; F43-V48 HydrophobicContact CZ-CG2 3.74Å; V48-Q52 HydrophobicContact CG2-CB 3.99Å; V48-I156 HydrophobicContact CG1-CG2 4.48Å | ||
| 49 | S | 93.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | trans | -82.7 | 158.1 | 176.2 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | Q47 A51 Q52 Y53 | Q47-S49 PolarHBondContact O-N 3.16Å; S49-A51 VanDerWaalsContact C-N 3.25Å; S49-A51 PolarHBondContact O-N 3.06Å; S49-Q52 WeakPolarHBondContact O-CB 3.49Å; S49-Q52 PolarHBondContact O-N 3.39Å; S49-Q52 WeakPolarHBondContact OG-CB 3.28Å; S49-Q52 VanDerWaalsContact OG-CG 3.29Å; S49-Q52 WeakPolarHBondContact OG-CG 3.46Å; S49-Q52 PolarHBondContact OG-N 2.86Å; S49-Q52 PolarHBondContact OG-OE1 3.46Å; S49-Y53 PolarHBondContact O-N 2.92Å | ||
| 50 | L | 94.6 | Very high | 95.2 | Very high | 83 Ų | 83 | 37.6 Ų | 37.6 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.5 | -37.7 | 174 | -178.8 | 61.3 | 0 | 0 | 0 | 112.3 | Y53 K54 F102 M161 | L50-Y53 PolarHBondContact O-N 3.46Å; L50-K54 HydrophobicContact CD1-CD 4.1Å; L50-K54 HydrophobicContact CD1-CG 4.05Å; L50-K54 HydrophobicContact CG-CD 3.97Å; L50-K54 HydrophobicContact CG-CG 4.31Å; L50-K54 WeakPolarHBondContact O-CB 3.43Å; L50-K54 VanDerWaalsContact O-CG 3.27Å; L50-K54 WeakPolarHBondContact O-CG 3.28Å; L50-K54 PolarHBondContact O-N 2.78Å; L50-F102 HydrophobicContact CD1-CD1 3.73Å; L50-F102 HydrophobicContact CD1-CE1 3.45Å; L50-F102 VanDerWaalsContact CD1-CE1 3.45Å; L50-F102 HydrophobicContact CD1-CZ 4.22Å; L50-M161 HydrophobicContact CB-CG 4.49Å; L50-M161 HydrophobicContact CB-SD 4.29Å; L50-M161 HydrophobicContact CD1-SD 3.73Å |
| 51 | A | 93.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 41% | 0.413 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S49 L55 L226 | S49-A51 VanDerWaalsContact C-N 3.25Å; S49-A51 PolarHBondContact O-N 3.06Å; A51-L55 PolarHBondContact O-N 3.46Å; A51-L55 VanDerWaalsContact O-N 3.09Å; A51-L226 HydrophobicContact CB-CD2 3.85Å |
| 52 | Q | 94.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 173.8 | -78.2 | 168.1 | -54.3 | 0 | 0 | 111.8 | L39 V48 S49 L55 L56 L226 | L39-Q52 HydrophobicContact CD1-CB 3.87Å; L39-Q52 HydrophobicContact CD1-CG 4.04Å; V48-Q52 HydrophobicContact CG2-CB 3.99Å; S49-Q52 WeakPolarHBondContact O-CB 3.49Å; S49-Q52 PolarHBondContact O-N 3.39Å; S49-Q52 WeakPolarHBondContact OG-CB 3.28Å; S49-Q52 VanDerWaalsContact OG-CG 3.29Å; S49-Q52 WeakPolarHBondContact OG-CG 3.46Å; S49-Q52 PolarHBondContact OG-N 2.86Å; S49-Q52 PolarHBondContact OG-OE1 3.46Å; Q52-L55 PolarHBondContact O-N 3.27Å; Q52-L56 WeakPolarHBondContact O-CB 3.44Å; Q52-L56 PolarHBondContact O-N 3.38Å; Q52-L226 HydrophobicContact CB-CD1 4.15Å; Q52-L226 HydrophobicContact CG-CD1 3.25Å |
| 53 | Y | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | -177.9 | -174.9 | -119.1 | 0 | 0 | 0 | 112.5 | F43 S49 L50 L55 L56 L57 F102 A157 M161 G168 L169 F172 | F43-Y53 HydrophobicContact CE1-CD2 4.48Å; F43-Y53 HydrophobicContact CZ-CD2 4.03Å; S49-Y53 PolarHBondContact O-N 2.92Å; L50-Y53 PolarHBondContact O-N 3.46Å; Y53-L55 PolarHBondContact O-N 3.16Å; Y53-L56 HydrophobicContact CD2-CD2 4.47Å; Y53-L56 WeakPolarHBondContact O-CB 3.49Å; Y53-L56 PolarHBondContact O-N 2.75Å; Y53-L57 HydrophobicContact CD1-CD1 4.01Å; Y53-L57 HydrophobicContact CE1-CD1 3.59Å; Y53-L57 HydrophobicContact CE1-CG 4.17Å; Y53-L57 HydrophobicContact CE2-CD2 4.43Å; Y53-L57 HydrophobicContact CE2-CG 4.27Å; Y53-L57 PolarHBondContact O-N 3.37Å; Y53-F102 AromaticContact CD1-CE2 3.88Å; Y53-F102 HydrophobicContact CD1-CE2 3.88Å; Y53-F102 AromaticContact CD1-CZ 3.94Å; Y53-F102 HydrophobicContact CD1-CZ 3.94Å; Y53-F102 AromaticContact CE1-CE2 3.57Å; Y53-F102 HydrophobicContact CE1-CE2 3.57Å; Y53-F102 AromaticContact CE1-CZ 3.81Å; Y53-F102 HydrophobicContact CE1-CZ 3.81Å; Y53-A157 HydrophobicContact CE2-CB 4.47Å; Y53-M161 VanDerWaalsContact CB-SD 3.59Å; Y53-M161 HydrophobicContact CD1-CE 3.37Å; Y53-M161 HydrophobicContact CD1-SD 3.62Å; Y53-M161 HydrophobicContact CD2-CE 4.4Å; Y53-M161 HydrophobicContact CE1-CE 3.81Å; Y53-M161 HydrophobicContact CG-CE 3.69Å; Y53-M161 HydrophobicContact CG-SD 3.83Å; Y53-G168 VanDerWaalsContact CE1-O 3.29Å; Y53-G168 WeakPolarHBondContact CE1-O 3.25Å; Y53-G168 PolarHBondContact OH-O 2.95Å; Y53-G168 VanDerWaalsContact OH-O 3.09Å; Y53-L169 HydrophobicContact CE1-CD2 4.33Å; Y53-F172 AromaticContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CZ 4.12Å; Y53-F172 AromaticContact CZ-CE2 3.96Å; Y53-F172 VanDerWaalsContact OH-CE2 3.29Å; Y53-F172 WeakPolarHBondContact OH-CE2 3.18Å |
| 54 | K | 96.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 18% | 0.183 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.8 | -75.7 | -178.5 | 62.3 | 160 | 0 | 112.6 | L50 L57 C58 F102 Y103 | L50-K54 HydrophobicContact CD1-CD 4.1Å; L50-K54 HydrophobicContact CD1-CG 4.05Å; L50-K54 HydrophobicContact CG-CD 3.97Å; L50-K54 HydrophobicContact CG-CG 4.31Å; L50-K54 WeakPolarHBondContact O-CB 3.43Å; L50-K54 VanDerWaalsContact O-CG 3.27Å; L50-K54 WeakPolarHBondContact O-CG 3.28Å; L50-K54 PolarHBondContact O-N 2.78Å; K54-L57 PolarHBondContact O-N 3.06Å; K54-C58 PolarHBondContact O-N 3.37Å; K54-C58 PolarHBondContact O-SG 3.49Å; K54-F102 HydrophobicContact CD-CB 3.93Å; K54-F102 HydrophobicContact CD-CD1 4.36Å; K54-F102 HydrophobicContact CD-CG 4.24Å; K54-F102 HydrophobicContact CG-CB 3.94Å; K54-F102 HydrophobicContact CG-CD1 4.29Å; K54-F102 HydrophobicContact CG-CD2 4.34Å; K54-F102 HydrophobicContact CG-CG 3.94Å; K54-F102 PolarHBondContact NZ-O 2.93Å; K54-Y103 HydrophobicContact CB-CE2 4.03Å; K54-Y103 HydrophobicContact CD-CE2 4.33Å; K54-Y103 VanDerWaalsContact CE-CE1 3.5Å; K54-Y103 WeakPolarHBondContact CE-OH 2.96Å; K54-Y103 HydrophobicContact CG-CE2 4.2Å |
| 55 | L | 95.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 175.5 | -73.5 | 178.5 | 0 | 0 | 0 | 112.1 | A51 Q52 Y53 L57 C58 S59 L222 L226 | A51-L55 PolarHBondContact O-N 3.46Å; A51-L55 VanDerWaalsContact O-N 3.09Å; Q52-L55 PolarHBondContact O-N 3.27Å; Y53-L55 PolarHBondContact O-N 3.16Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 2.88Å; L55-C58 WeakPolarHBondContact O-CB 3.29Å; L55-C58 PolarHBondContact O-N 3.39Å; L55-S59 PolarHBondContact O-N 3.12Å; L55-L222 HydrophobicContact CB-CD2 3.57Å; L55-L226 HydrophobicContact CD1-CD1 4.25Å; L55-L226 HydrophobicContact CD1-CD2 3.6Å; L55-L226 HydrophobicContact CD1-CG 3.67Å |
| 56 | L | 97.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -48.2 | 172 | 176.1 | 63.4 | 0 | 0 | 0 | 110.7 | L39 F43 Q52 Y53 C58 S59 L60 F219 L222 | L39-L56 HydrophobicContact CD2-CD1 4.34Å; F43-L56 HydrophobicContact CE2-CD2 3.85Å; F43-L56 HydrophobicContact CZ-CD2 3.77Å; Q52-L56 WeakPolarHBondContact O-CB 3.44Å; Q52-L56 PolarHBondContact O-N 3.38Å; Y53-L56 HydrophobicContact CD2-CD2 4.47Å; Y53-L56 WeakPolarHBondContact O-CB 3.49Å; Y53-L56 PolarHBondContact O-N 2.75Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 2.88Å; L56-S59 PolarHBondContact O-N 2.83Å; L56-S59 VanDerWaalsContact O-N 3.11Å; L56-L60 HydrophobicContact CD1-CD1 4.25Å; L56-L60 HydrophobicContact CD1-CD2 4.23Å; L56-L60 HydrophobicContact CD1-CG 4.01Å; L56-L60 HydrophobicContact CG-CD1 4Å; L56-L60 HydrophobicContact CG-CG 4.17Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 2.82Å; L56-F219 HydrophobicContact CD1-CD1 4.4Å; L56-F219 HydrophobicContact CD1-CE1 3.92Å; L56-L222 HydrophobicContact CB-CD1 4.44Å; L56-L222 HydrophobicContact CD1-CD1 4.18Å |
| 57 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.7 | -40.6 | 176.7 | -74.1 | 173.8 | 0 | 0 | 0 | 112.6 | Y53 K54 L55 S59 L60 Y61 I95 D98 L99 F102 | Y53-L57 HydrophobicContact CD1-CD1 4.01Å; Y53-L57 HydrophobicContact CE1-CD1 3.59Å; Y53-L57 HydrophobicContact CE1-CG 4.17Å; Y53-L57 HydrophobicContact CE2-CD2 4.43Å; Y53-L57 HydrophobicContact CE2-CG 4.27Å; Y53-L57 PolarHBondContact O-N 3.37Å; K54-L57 PolarHBondContact O-N 3.06Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 2.88Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.15Å; L57-L60 PolarHBondContact O-N 3.49Å; L57-Y61 WeakPolarHBondContact O-CB 3.4Å; L57-Y61 PolarHBondContact O-N 3.06Å; L57-I95 HydrophobicContact CD2-CG2 4.49Å; L57-D98 HydrophobicContact CD1-CB 3.9Å; L57-D98 HydrophobicContact CD2-CB 4.19Å; L57-L99 HydrophobicContact CB-CD2 3.86Å; L57-L99 HydrophobicContact CB-CG 4.47Å; L57-F102 HydrophobicContact CD1-CD2 3.61Å; L57-F102 HydrophobicContact CD1-CE2 3.61Å |
| 58 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | K54 L55 L56 A62 Y103 I111 V112 | K54-C58 PolarHBondContact O-N 3.37Å; K54-C58 PolarHBondContact O-SG 3.49Å; L55-C58 WeakPolarHBondContact O-CB 3.29Å; L55-C58 PolarHBondContact O-N 3.39Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 2.88Å; C58-A62 PolarHBondContact O-N 3.34Å; C58-Y103 PolarHBondContact SG-OH 3.42Å; C58-I111 HydrophobicContact CB-CB 4.21Å; C58-I111 HydrophobicContact CB-CG2 4.44Å; C58-I111 VanDerWaalsContact SG-CG2 3.52Å; C58-V112 WeakPolarHBondContact CB-O 3.34Å |
| 59 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 177.4 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | L55 L56 L57 Y61 A62 I63 P114 T117 | L55-S59 PolarHBondContact O-N 3.12Å; L56-S59 PolarHBondContact O-N 2.83Å; L56-S59 VanDerWaalsContact O-N 3.11Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.15Å; S59-Y61 VanDerWaalsContact C-N 3.33Å; S59-Y61 PolarHBondContact O-N 2.89Å; S59-A62 PolarHBondContact O-N 2.91Å; S59-I63 WeakPolarHBondContact O-CD1 3.28Å; S59-I63 VanDerWaalsContact O-CG1 3.28Å; S59-I63 WeakPolarHBondContact O-CG1 3.42Å; S59-I63 PolarHBondContact O-N 3.5Å; S59-P114 VanDerWaalsContact OG-CD 3.29Å; S59-P114 WeakPolarHBondContact OG-CD 3.48Å; S59-P114 WeakPolarHBondContact OG-CG 3.35Å; S59-T117 WeakPolarHBondContact CB-OG1 3.44Å; S59-T117 WeakPolarHBondContact O-CG2 3.38Å; S59-T117 PolarHBondContact OG-OG1 3.21Å |
| 60 | L | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.1 | -66.9 | -178.3 | 0 | 0 | 0 | 110.6 | L56 L57 A62 I63 Y64 I95 R142 F171 | L56-L60 HydrophobicContact CD1-CD1 4.25Å; L56-L60 HydrophobicContact CD1-CD2 4.23Å; L56-L60 HydrophobicContact CD1-CG 4.01Å; L56-L60 HydrophobicContact CG-CD1 4Å; L56-L60 HydrophobicContact CG-CG 4.17Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 2.82Å; L57-L60 PolarHBondContact O-N 3.49Å; L60-A62 PolarHBondContact O-N 3.23Å; L60-I63 PolarHBondContact O-N 3.09Å; L60-I63 VanDerWaalsContact O-N 3.15Å; L60-Y64 HydrophobicContact CB-CD2 4.26Å; L60-Y64 HydrophobicContact CB-CE2 4.43Å; L60-Y64 HydrophobicContact CD2-CE2 4.15Å; L60-Y64 VanDerWaalsContact O-CD2 3.28Å; L60-Y64 WeakPolarHBondContact O-CD2 3.43Å; L60-Y64 PolarHBondContact O-N 3.03Å; L60-I95 HydrophobicContact CB-CD1 4.06Å; L60-R142 VanDerWaalsContact CD2-NH2 3.31Å; L60-F171 HydrophobicContact CD1-CD1 4.19Å; L60-F171 HydrophobicContact CD1-CD2 4.49Å; L60-F171 HydrophobicContact CD1-CE1 3.84Å; L60-F171 HydrophobicContact CD1-CE2 4.16Å; L60-F171 HydrophobicContact CD1-CZ 3.83Å |
| 61 | Y | 98.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 15.4 Ų | 15.4 | 8% | 0.082 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -52 | -53.2 | 176.3 | 174.8 | -106.2 | 0 | 0 | 0 | 112 | L57 S59 I63 Q65 L92 I95 E96 L99 W107 I111 | L57-Y61 WeakPolarHBondContact O-CB 3.4Å; L57-Y61 PolarHBondContact O-N 3.06Å; S59-Y61 VanDerWaalsContact C-N 3.33Å; S59-Y61 PolarHBondContact O-N 2.89Å; Y61-I63 VanDerWaalsContact C-N 3.33Å; Y61-I63 PolarHBondContact O-N 3.29Å; Y61-Q65 WeakPolarHBondContact O-CB 3.37Å; Y61-Q65 PolarHBondContact O-N 3.2Å; Y61-Q65 PolarHBondContact OH-NE2 3.41Å; Y61-L92 HydrophobicContact CD2-CD1 3.57Å; Y61-L92 HydrophobicContact CE2-CD1 3.33Å; Y61-L92 HydrophobicContact CE2-CG 4.31Å; Y61-I95 HydrophobicContact CD2-CG2 4.3Å; Y61-I95 HydrophobicContact CG-CG2 4.49Å; Y61-E96 HydrophobicContact CD2-CG 4.11Å; Y61-E96 HydrophobicContact CE2-CG 3.65Å; Y61-E96 WeakPolarHBondContact CE2-OE1 3.47Å; Y61-E96 PolarHBondContact OH-OE1 3.44Å; Y61-L99 HydrophobicContact CD1-CD1 4.48Å; Y61-L99 HydrophobicContact CD2-CD1 4.11Å; Y61-L99 HydrophobicContact CG-CD1 3.84Å; Y61-W107 HydrophobicContact CD1-CH2 4.44Å; Y61-W107 HydrophobicContact CD1-CZ3 4.12Å; Y61-W107 HydrophobicContact CD2-CH2 4.03Å; Y61-W107 HydrophobicContact CD2-CZ3 4.34Å; Y61-W107 AromaticContact CE1-CH2 3.96Å; Y61-W107 HydrophobicContact CE1-CH2 3.96Å; Y61-W107 AromaticContact CE1-CZ3 3.89Å; Y61-W107 HydrophobicContact CE1-CZ3 3.89Å; Y61-W107 AromaticContact CE2-CH2 3.5Å; Y61-W107 HydrophobicContact CE2-CH2 3.5Å; Y61-W107 HydrophobicContact CE2-CZ3 4.13Å; Y61-W107 HydrophobicContact CG-CH2 4.47Å; Y61-W107 HydrophobicContact CG-CZ3 4.34Å; Y61-W107 AromaticContact CZ-CH2 3.47Å; Y61-W107 VanDerWaalsContact CZ-CH2 3.47Å; Y61-W107 AromaticContact CZ-CZ3 3.9Å; Y61-I111 HydrophobicContact CD1-CD1 3.8Å; Y61-I111 HydrophobicContact CE1-CD1 4.13Å |
| 62 | A | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 17 Ų | 17 | 8% | 0.083 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C58 S59 L60 A66 V113 T117 C121 | C58-A62 PolarHBondContact O-N 3.34Å; S59-A62 PolarHBondContact O-N 2.91Å; L60-A62 PolarHBondContact O-N 3.23Å; A62-A66 WeakPolarHBondContact O-CB 3.3Å; A62-A66 PolarHBondContact O-N 2.91Å; A62-A66 VanDerWaalsContact O-N 3.16Å; A62-V113 HydrophobicContact CB-CG1 3.94Å; A62-V113 HydrophobicContact CB-CG2 4.2Å; A62-T117 HydrophobicContact CB-CG2 3.92Å; A62-C121 PolarHBondContact O-SG 3.17Å |
| 63 | I | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.7 | -50.9 | 178.9 | -69.8 | 162.5 | 0 | 0 | 0 | 110.8 | S59 L60 Y61 Q65 A66 L67 T117 Y120 L124 V218 | S59-I63 WeakPolarHBondContact O-CD1 3.28Å; S59-I63 VanDerWaalsContact O-CG1 3.28Å; S59-I63 WeakPolarHBondContact O-CG1 3.42Å; S59-I63 PolarHBondContact O-N 3.5Å; L60-I63 PolarHBondContact O-N 3.09Å; L60-I63 VanDerWaalsContact O-N 3.15Å; Y61-I63 VanDerWaalsContact C-N 3.33Å; Y61-I63 PolarHBondContact O-N 3.29Å; I63-Q65 VanDerWaalsContact C-N 3.35Å; I63-A66 PolarHBondContact O-N 3.02Å; I63-L67 WeakPolarHBondContact O-CB 3.42Å; I63-L67 PolarHBondContact O-N 3.34Å; I63-T117 HydrophobicContact CD1-CG2 4.05Å; I63-T117 HydrophobicContact CG1-CG2 3.8Å; I63-Y120 HydrophobicContact CD1-CD1 3.69Å; I63-Y120 HydrophobicContact CD1-CE1 4.2Å; I63-Y120 HydrophobicContact CG1-CD1 3.89Å; I63-Y120 HydrophobicContact CG1-CE1 4.49Å; I63-Y120 HydrophobicContact CG1-CG 4.37Å; I63-Y120 HydrophobicContact CG2-CD1 4.26Å; I63-Y120 HydrophobicContact CG2-CE1 4.08Å; I63-L124 HydrophobicContact CG2-CD1 4.2Å; I63-V218 HydrophobicContact CD1-CG2 4.31Å |
| 64 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.9 | -35.8 | 179.8 | -79.5 | -84.5 | 0 | 0 | 0 | 111.7 | L60 A66 L67 E68 R91 I95 R142 Y143 D146 F171 | L60-Y64 HydrophobicContact CB-CD2 4.26Å; L60-Y64 HydrophobicContact CB-CE2 4.43Å; L60-Y64 HydrophobicContact CD2-CE2 4.15Å; L60-Y64 VanDerWaalsContact O-CD2 3.28Å; L60-Y64 WeakPolarHBondContact O-CD2 3.43Å; L60-Y64 PolarHBondContact O-N 3.03Å; Y64-A66 PolarHBondContact O-N 3.05Å; Y64-L67 HydrophobicContact CD1-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 2.83Å; Y64-E68 WeakPolarHBondContact CD1-OE1 3.26Å; Y64-E68 WeakPolarHBondContact O-CB 3.11Å; Y64-E68 VanDerWaalsContact O-CG 3.29Å; Y64-E68 WeakPolarHBondContact O-CG 3.47Å; Y64-E68 PolarHBondContact O-N 3.44Å; Y64-R91 HydrophobicContact CD1-CB 3.62Å; Y64-R91 HydrophobicContact CD1-CG 3.65Å; Y64-R91 HydrophobicContact CD2-CB 4.29Å; Y64-R91 HydrophobicContact CE1-CB 3.92Å; Y64-R91 HydrophobicContact CE1-CG 3.41Å; Y64-R91 VanDerWaalsContact CE1-CG 3.41Å; Y64-R91 HydrophobicContact CE2-CG 4.43Å; Y64-R91 HydrophobicContact CG-CB 3.82Å; Y64-R91 HydrophobicContact CG-CG 4.26Å; Y64-I95 HydrophobicContact CD2-CD1 3.59Å; Y64-I95 HydrophobicContact CE2-CD1 4.35Å; Y64-I95 HydrophobicContact CG-CD1 3.99Å; Y64-R142 HydrophobicContact CE1-CB 4.29Å; Y64-R142 PolarHBondContact OH-NE 3.41Å; Y64-R142 PolarHBondContact OH-NH2 2.99Å; Y64-Y143 HydrophobicContact CD1-CE1 4.02Å; Y64-Y143 AromaticContact CE1-CD1 3.99Å; Y64-Y143 HydrophobicContact CE1-CD1 3.99Å; Y64-Y143 AromaticContact CE1-CE1 3.55Å; Y64-Y143 HydrophobicContact CE1-CE1 3.55Å; Y64-D146 PolarHBondContact OH-OD1 3.26Å; Y64-D146 PolarHBondContact OH-OD2 2.7Å; Y64-F171 HydrophobicContact CD2-CE2 4.31Å; Y64-F171 AromaticContact CE2-CE2 3.64Å; Y64-F171 HydrophobicContact CE2-CE2 3.64Å; Y64-F171 HydrophobicContact CE2-CZ 4.1Å; Y64-F171 AromaticContact CZ-CE2 3.9Å |
| 65 | Q | 98.8 | Very high | 98.5 | Very high | 54 Ų | 54 | 22.7 Ų | 22.7 | 25% | 0.252 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -55.4 | -51.9 | 170.6 | 177.8 | 175.9 | 64 | 0 | 0 | 110.8 | Y61 I63 E69 L92 | Y61-Q65 WeakPolarHBondContact O-CB 3.37Å; Y61-Q65 PolarHBondContact O-N 3.2Å; Y61-Q65 PolarHBondContact OH-NE2 3.41Å; I63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-E69 HydrophobicContact CG-CG 4.42Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.47Å; Q65-E69 WeakPolarHBondContact O-CB 3.14Å; Q65-E69 WeakPolarHBondContact O-CG 3.42Å; Q65-E69 PolarHBondContact O-N 3.31Å; Q65-L92 HydrophobicContact CB-CD1 3.87Å |
| 66 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A62 I63 Y64 E70 C121 L124 R125 | A62-A66 WeakPolarHBondContact O-CB 3.3Å; A62-A66 PolarHBondContact O-N 2.91Å; A62-A66 VanDerWaalsContact O-N 3.16Å; I63-A66 PolarHBondContact O-N 3.02Å; Y64-A66 PolarHBondContact O-N 3.05Å; A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.47Å; A66-E70 PolarHBondContact O-N 3.36Å; A66-C121 HydrophobicContact CB-CB 3.88Å; A66-L124 HydrophobicContact CB-CB 4.24Å; A66-L124 HydrophobicContact CB-CD1 4.05Å; A66-R125 HydrophobicContact CB-CG 4.47Å |
| 67 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -49.6 | 178.8 | 175.7 | 61.4 | 0 | 0 | 0 | 111.1 | I63 Y64 E70 L71 L124 H138 R142 Y143 | I63-L67 WeakPolarHBondContact O-CB 3.42Å; I63-L67 PolarHBondContact O-N 3.34Å; Y64-L67 HydrophobicContact CD1-CD2 4.44Å; Y64-L67 PolarHBondContact O-N 2.83Å; L67-E70 PolarHBondContact O-N 3.33Å; L67-L71 HydrophobicContact CD1-CD1 4.01Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 3.89Å; L67-L71 HydrophobicContact CG-CG 4.43Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 2.95Å; L67-L124 HydrophobicContact CB-CD1 4.06Å; L67-L124 HydrophobicContact CD1-CD2 4.05Å; L67-H138 HydrophobicContact CD1-CB 4.11Å; L67-R142 HydrophobicContact CD2-CB 4.31Å; L67-R142 HydrophobicContact CD2-CG 4.29Å; L67-Y143 HydrophobicContact CD2-CE2 4.24Å |
| 68 | E | 98.9 | Very high | 98.6 | Very high | 18 Ų | 18 | 36.2 Ų | 36.2 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.3 | -38.4 | -176.4 | -68 | 172.9 | -170.3 | 0 | 0 | 111 | Y64 E70 L71 D72 A90 R91 L92 Y143 | Y64-E68 WeakPolarHBondContact CD1-OE1 3.26Å; Y64-E68 WeakPolarHBondContact O-CB 3.11Å; Y64-E68 VanDerWaalsContact O-CG 3.29Å; Y64-E68 WeakPolarHBondContact O-CG 3.47Å; Y64-E68 PolarHBondContact O-N 3.44Å; E68-E70 VanDerWaalsContact C-N 3.28Å; E68-E70 PolarHBondContact O-N 2.78Å; E68-L71 PolarHBondContact O-N 3.11Å; E68-D72 WeakPolarHBondContact O-CB 3.36Å; E68-D72 PolarHBondContact O-N 2.91Å; E68-A90 WeakPolarHBondContact OE1-CA 3.49Å; E68-R91 PolarHBondContact OE1-N 3.24Å; E68-R91 PolarHBondContact OE2-N 3.01Å; E68-L92 VanDerWaalsContact OE2-CB 3.25Å; E68-L92 WeakPolarHBondContact OE2-CB 3.48Å; E68-L92 PolarHBondContact OE2-N 3.07Å; E68-Y143 WeakPolarHBondContact CG-OH 3.44Å; E68-Y143 PolarHBondContact OE1-OH 3.41Å |
| 69 | E | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -53.7 | -44.3 | 170 | -80.7 | 168.5 | -177.2 | 0 | 0 | 112.3 | Q65 K73 R125 | Q65-E69 HydrophobicContact CG-CG 4.42Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.47Å; Q65-E69 WeakPolarHBondContact O-CB 3.14Å; Q65-E69 WeakPolarHBondContact O-CG 3.42Å; Q65-E69 PolarHBondContact O-N 3.31Å; E69-K73 WeakPolarHBondContact O-CD 3.45Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 3.32Å; E69-R125 IonicContact OE1-NH2 2.84Å; E69-R125 IonicContact OE2-CZ 2.77Å; E69-R125 IonicContact OE2-NE 3.84Å; E69-R125 PolarHBondContact OE2-NE 3.09Å; E69-R125 IonicContact OE2-NH2 3.16Å; E69-R125 PolarHBondContact OE2-NH2 3.04Å |
| 70 | E | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80.6 | -30.6 | -177.9 | -64.5 | -56.5 | 139.5 | 0 | 0 | 112.8 | A66 L67 E68 K73 N74 R125 G128 L135 | A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.47Å; A66-E70 PolarHBondContact O-N 3.36Å; L67-E70 PolarHBondContact O-N 3.33Å; E68-E70 VanDerWaalsContact C-N 3.28Å; E68-E70 PolarHBondContact O-N 2.78Å; E70-K73 IonicContact OE1-NZ 2.84Å; E70-K73 PolarHBondContact OE1-NZ 2.94Å; E70-N74 WeakPolarHBondContact O-CB 3.46Å; E70-N74 PolarHBondContact O-N 3.3Å; E70-N74 VanDerWaalsContact O-N 3.13Å; E70-N74 PolarHBondContact O-ND2 2.96Å; E70-R125 HydrophobicContact CG-CG 4.21Å; E70-G128 WeakPolarHBondContact OE2-CA 3.18Å; E70-L135 HydrophobicContact CB-CD1 4.12Å; E70-L135 HydrophobicContact CB-CD2 3.89Å |
| 71 | L | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 170.2 | -72.7 | 172.5 | 0 | 0 | 0 | 111.2 | L67 E68 N74 S75 V80 I83 Y84 L135 A139 Y143 | L67-L71 HydrophobicContact CD1-CD1 4.01Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 3.89Å; L67-L71 HydrophobicContact CG-CG 4.43Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 2.95Å; E68-L71 PolarHBondContact O-N 3.11Å; L71-N74 CarbonylContact O-C 3.56Å; L71-N74 PolarHBondContact O-N 3.25Å; L71-S75 WeakPolarHBondContact O-CA 3.35Å; L71-S75 PolarHBondContact O-N 2.92Å; L71-V80 HydrophobicContact CD2-CG1 3.75Å; L71-I83 HydrophobicContact CD2-CD1 3.82Å; L71-Y84 HydrophobicContact CB-CD2 4.28Å; L71-Y84 HydrophobicContact CB-CE2 4.38Å; L71-L135 HydrophobicContact CD2-CB 4.12Å; L71-L135 HydrophobicContact CD2-CD1 4.48Å; L71-A139 HydrophobicContact CD1-CB 4.45Å; L71-Y143 HydrophobicContact CD1-CE2 3.91Å |
| 72 | D | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 38.6 Ų | 38.6 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 178.8 | -72.4 | -4.4 | 0 | 0 | 0 | 111.1 | E68 N74 S75 Y84 | E68-D72 WeakPolarHBondContact O-CB 3.36Å; E68-D72 PolarHBondContact O-N 2.91Å; D72-N74 PolarHBondContact O-N 3.01Å; D72-S75 WeakPolarHBondContact O-CB 3.31Å; D72-S75 PolarHBondContact O-N 3.39Å; D72-S75 PolarHBondContact O-OG 3.08Å; D72-Y84 WeakPolarHBondContact OD1-CE2 3.47Å; D72-Y84 PolarHBondContact OD1-OH 2.86Å |
| 73 | K | 98.8 | Very high | 98.5 | Very high | 132 Ų | 132 | 38.2 Ų | 38.2 | 57% | 0.574 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.6 | -36.2 | 177.2 | -74.3 | 171.2 | -163.6 | 169.1 | 0 | 112.6 | E69 E70 | E69-K73 WeakPolarHBondContact O-CD 3.45Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 3.32Å; E70-K73 IonicContact OE1-NZ 2.84Å; E70-K73 PolarHBondContact OE1-NZ 2.94Å |
| 74 | N | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 15.4 | -176.8 | -66.5 | -75.6 | 0 | 0 | 0 | 113.1 | E70 L71 D72 N76 H77 V80 G128 P132 L135 | E70-N74 WeakPolarHBondContact O-CB 3.46Å; E70-N74 PolarHBondContact O-N 3.3Å; E70-N74 VanDerWaalsContact O-N 3.13Å; E70-N74 PolarHBondContact O-ND2 2.96Å; L71-N74 CarbonylContact O-C 3.56Å; L71-N74 PolarHBondContact O-N 3.25Å; D72-N74 PolarHBondContact O-N 3.01Å; N74-N76 PolarHBondContact O-N 2.96Å; N74-H77 HydrophobicContact CB-CB 4.15Å; N74-H77 WeakPolarHBondContact O-CB 3.49Å; N74-H77 PolarHBondContact O-N 3.25Å; N74-V80 HydrophobicContact CB-CB 4.42Å; N74-V80 HydrophobicContact CB-CG1 4.44Å; N74-V80 HydrophobicContact CB-CG2 4.03Å; N74-V80 WeakPolarHBondContact O-CB 3.25Å; N74-G128 PolarHBondContact ND2-O 3.38Å; N74-G128 PolarHBondContact OD1-O 3.45Å; N74-P132 HydrophobicContact CB-CB 4.06Å; N74-P132 WeakPolarHBondContact OD1-CB 3.46Å; N74-P132 VanDerWaalsContact OD1-CG 3.27Å; N74-P132 WeakPolarHBondContact OD1-CG 3.29Å; N74-L135 HydrophobicContact CB-CD1 4.13Å |
| 75 | S | 98.6 | Very high | 98.5 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.7 | -174.7 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | L71 D72 A81 | L71-S75 WeakPolarHBondContact O-CA 3.35Å; L71-S75 PolarHBondContact O-N 2.92Å; D72-S75 WeakPolarHBondContact O-CB 3.31Å; D72-S75 PolarHBondContact O-N 3.39Å; D72-S75 PolarHBondContact O-OG 3.08Å; S75-A81 WeakPolarHBondContact O-CA 3.37Å; S75-A81 VanDerWaalsContact O-CB 3.26Å; S75-A81 WeakPolarHBondContact O-CB 3.37Å |
| 76 | N | 98.1 | Very high | 98.4 | Very high | 156 Ų | 156 | 43.2 Ų | 43.2 | 83% | 0.834 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.4 | 176.1 | -64.4 | -46.5 | 0 | 0 | 0 | 114.2 | N74 | N74-N76 PolarHBondContact O-N 2.96Š|
| 77 | H | 98.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 49 Ų | 49 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -70.2 | 135.6 | 178.3 | -173.5 | -85.3 | 0 | 0 | 0 | 110 | N74 G79 V80 A81 P132 | N74-H77 HydrophobicContact CB-CB 4.15Å; N74-H77 WeakPolarHBondContact O-CB 3.49Å; N74-H77 PolarHBondContact O-N 3.25Å; H77-G79 PolarHBondContact ND1-N 3.38Å; H77-G79 PolarHBondContact O-N 3.04Å; H77-G79 VanDerWaalsContact O-N 3.11Å; H77-V80 HydrophobicContact CB-CB 4.36Å; H77-V80 HydrophobicContact CB-CG2 4.34Å; H77-V80 PolarHBondContact O-N 3.09Å; H77-A81 WeakPolarHBondContact O-CB 3.22Å; H77-A81 PolarHBondContact O-N 3.18Å; H77-P132 HydrophobicContact CB-CB 4.38Å |
| 78 | A | 97.4 | Very high | 98.4 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | V80 P82 | A78-V80 VanDerWaalsContact C-N 3.33Å; A78-V80 PolarHBondContact O-N 2.88Å; A78-P82 WeakPolarHBondContact O-CD 3.29Å |
| 79 | G | 96.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | H77 | H77-G79 PolarHBondContact ND1-N 3.38Å; H77-G79 PolarHBondContact O-N 3.04Å; H77-G79 VanDerWaalsContact O-N 3.11Å |
| 80 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -40.4 | -170.9 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L71 N74 H77 A78 P82 I83 Y84 P132 L135 | L71-V80 HydrophobicContact CD2-CG1 3.75Å; N74-V80 HydrophobicContact CB-CB 4.42Å; N74-V80 HydrophobicContact CB-CG1 4.44Å; N74-V80 HydrophobicContact CB-CG2 4.03Å; N74-V80 WeakPolarHBondContact O-CB 3.25Å; H77-V80 HydrophobicContact CB-CB 4.36Å; H77-V80 HydrophobicContact CB-CG2 4.34Å; H77-V80 PolarHBondContact O-N 3.09Å; A78-V80 VanDerWaalsContact C-N 3.33Å; A78-V80 PolarHBondContact O-N 2.88Å; V80-P82 VanDerWaalsContact C-N 3.28Å; V80-P82 VanDerWaalsContact O-N 3.12Å; V80-I83 HydrophobicContact CG1-CD1 4.21Å; V80-I83 WeakPolarHBondContact O-CD1 3.36Å; V80-I83 WeakPolarHBondContact O-CG1 3.36Å; V80-I83 PolarHBondContact O-N 2.65Å; V80-Y84 PolarHBondContact O-N 3.3Å; V80-P132 HydrophobicContact CG2-CB 4.39Å; V80-P132 VanDerWaalsContact CG2-O 3.28Å; V80-P132 WeakPolarHBondContact CG2-O 3.5Å; V80-L135 HydrophobicContact CG2-CB 4.3Å; V80-L135 HydrophobicContact CG2-CD1 4.05Å |
| 81 | A | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -49.2 | -40 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S75 H77 I83 Y84 | S75-A81 WeakPolarHBondContact O-CA 3.37Å; S75-A81 VanDerWaalsContact O-CB 3.26Å; S75-A81 WeakPolarHBondContact O-CB 3.37Å; H77-A81 WeakPolarHBondContact O-CB 3.22Å; H77-A81 PolarHBondContact O-N 3.18Å; A81-I83 VanDerWaalsContact C-N 3.27Å; A81-I83 PolarHBondContact O-N 3.31Å; A81-Y84 PolarHBondContact O-N 2.95Å |
| 82 | P | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -63.3 | -29.8 | 178.3 | -25.8 | 37.7 | 0 | 0 | 0 | 114.2 | A78 V80 F85 R190 V194 | A78-P82 WeakPolarHBondContact O-CD 3.29Å; V80-P82 VanDerWaalsContact C-N 3.28Å; V80-P82 VanDerWaalsContact O-N 3.12Å; P82-F85 WeakPolarHBondContact O-CE2 3.33Å; P82-R190 HydrophobicContact CB-CB 4.5Å; P82-R190 VanDerWaalsContact O-CB 3.24Å; P82-R190 WeakPolarHBondContact O-CB 3.49Å; P82-V194 HydrophobicContact CB-CG2 4.09Å; P82-V194 HydrophobicContact CG-CG2 3.97Å |
| 83 | I | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -104.9 | 5.8 | -174.9 | 61.6 | 75.1 | 0 | 0 | 0 | 113.7 | L71 V80 A81 F85 V136 A139 Y187 R190 M191 | L71-I83 HydrophobicContact CD2-CD1 3.82Å; V80-I83 HydrophobicContact CG1-CD1 4.21Å; V80-I83 WeakPolarHBondContact O-CD1 3.36Å; V80-I83 WeakPolarHBondContact O-CG1 3.36Å; V80-I83 PolarHBondContact O-N 2.65Å; A81-I83 VanDerWaalsContact C-N 3.27Å; A81-I83 PolarHBondContact O-N 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.19Å; I83-F85 PolarHBondContact O-N 3.28Å; I83-V136 HydrophobicContact CG1-CG2 4.21Å; I83-V136 HydrophobicContact CG2-CG2 4.26Å; I83-A139 HydrophobicContact CD1-CB 4.23Å; I83-Y187 HydrophobicContact CB-CE1 4.42Å; I83-Y187 HydrophobicContact CB-CE2 4.08Å; I83-Y187 HydrophobicContact CG2-CE1 4.25Å; I83-R190 HydrophobicContact CG2-CB 4.49Å; I83-M191 HydrophobicContact CG2-CB 4.02Å |
| 84 | Y | 98.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -82.9 | 96.7 | -176.7 | -175.8 | -116.4 | 0 | 0 | 0 | 111.6 | L71 D72 V80 A81 P86 | L71-Y84 HydrophobicContact CB-CD2 4.28Å; L71-Y84 HydrophobicContact CB-CE2 4.38Å; D72-Y84 WeakPolarHBondContact OD1-CE2 3.47Å; D72-Y84 PolarHBondContact OD1-OH 2.86Å; V80-Y84 PolarHBondContact O-N 3.3Å; A81-Y84 PolarHBondContact O-N 2.95Å; Y84-P86 VanDerWaalsContact C-CD 3.49Å; Y84-P86 HydrophobicContact CD1-CG 4.38Å; Y84-P86 HydrophobicContact CE1-CG 3.82Å; Y84-P86 HydrophobicContact CE2-CB 4.32Å; Y84-P86 HydrophobicContact CE2-CG 4.17Å; Y84-P86 WeakPolarHBondContact O-CD 3.35Å | ||
| 85 | F | 98.6 | Very high | 98.2 | Very high | 35 Ų | 35 | 47 Ų | 47 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -123.9 | 65 | -179 | -65.6 | -80.8 | 0 | 0 | 0 | 112 | P82 I83 T87 E88 L89 F183 Y187 R190 | P82-F85 WeakPolarHBondContact O-CE2 3.33Å; I83-F85 WeakPolarHBondContact O-CD2 3.19Å; I83-F85 PolarHBondContact O-N 3.28Å; F85-T87 PolarHBondContact O-N 3.23Å; F85-E88 HydrophobicContact CB-CB 4.42Å; F85-E88 PolarHBondContact O-N 2.74Å; F85-L89 HydrophobicContact CB-CD1 4Å; F85-L89 HydrophobicContact CB-CG 4.09Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.44Å; F85-L89 PolarHBondContact O-N 3.29Å; F85-F183 HydrophobicContact CB-CZ 3.97Å; F85-F183 HydrophobicContact CD1-CE2 4.46Å; F85-F183 HydrophobicContact CD1-CZ 4.07Å; F85-F183 HydrophobicContact CD2-CZ 4.34Å; F85-F183 AromaticContact CG-CZ 3.87Å; F85-F183 HydrophobicContact CG-CZ 3.87Å; F85-Y187 AromaticContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CE2 4.13Å; F85-Y187 HydrophobicContact CE2-CD2 4.22Å; F85-R190 HydrophobicContact CE2-CB 4.47Å; F85-R190 HydrophobicContact CE2-CG 4.2Å; F85-R190 HydrophobicContact CZ-CG 3.94Å | ||
| 86 | P | 98.1 | Very high | 98.2 | Very high | 49 Ų | 49 | 48 Ų | 48 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | -173 | 25.9 | -35.5 | 0 | 0 | 0 | 112.6 | Y84 E88 A90 | Y84-P86 VanDerWaalsContact C-CD 3.49Å; Y84-P86 HydrophobicContact CD1-CG 4.38Å; Y84-P86 HydrophobicContact CE1-CG 3.82Å; Y84-P86 HydrophobicContact CE2-CB 4.32Å; Y84-P86 HydrophobicContact CE2-CG 4.17Å; Y84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-E88 VanDerWaalsContact C-N 3.3Å; P86-E88 PolarHBondContact O-N 3.24Å; P86-A90 WeakPolarHBondContact O-CB 3.48Å; P86-A90 PolarHBondContact O-N 3.49Å |
| 87 | T | 98 | Very high | 98.2 | Very high | 121 Ų | 121 | 45.6 Ų | 45.6 | 74% | 0.742 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | -179.3 | -51.8 | 0 | 0 | 0 | 0 | 112.2 | F85 | F85-T87 PolarHBondContact O-N 3.23Å |
| 88 | E | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -88.6 | -36.8 | -175.5 | -61.3 | 92.5 | 156.5 | 0 | 0 | 112.6 | F85 P86 R91 F174 G176 V177 F183 | F85-E88 HydrophobicContact CB-CB 4.42Å; F85-E88 PolarHBondContact O-N 2.74Å; P86-E88 VanDerWaalsContact C-N 3.3Å; P86-E88 PolarHBondContact O-N 3.24Å; E88-R91 PolarHBondContact O-NH2 3.2Å; E88-F174 WeakPolarHBondContact O-CD1 3.33Å; E88-G176 WeakPolarHBondContact CG-O 3.37Å; E88-V177 HydrophobicContact CB-CG2 3.86Å; E88-F183 HydrophobicContact CB-CE2 3.65Å; E88-F183 HydrophobicContact CB-CZ 3.59Å; E88-F183 HydrophobicContact CG-CE2 3.66Å; E88-F183 HydrophobicContact CG-CZ 4.07Å |
| 89 | L | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -111.9 | -21.8 | -167.1 | -64 | -178 | 0 | 0 | 0 | 115.5 | F85 R91 Y143 L147 F174 F183 Y187 | F85-L89 HydrophobicContact CB-CD1 4Å; F85-L89 HydrophobicContact CB-CG 4.09Å; F85-L89 VanDerWaalsContact O-CB 3.32Å; F85-L89 WeakPolarHBondContact O-CB 3.44Å; F85-L89 PolarHBondContact O-N 3.29Å; L89-R91 WeakPolarHBondContact O-CG 3.32Å; L89-R91 PolarHBondContact O-N 3.34Å; L89-R91 PolarHBondContact O-NE 3.32Å; L89-Y143 HydrophobicContact CB-CD1 3.86Å; L89-Y143 HydrophobicContact CB-CD2 4.35Å; L89-Y143 HydrophobicContact CB-CE1 3.9Å; L89-Y143 HydrophobicContact CB-CE2 4.39Å; L89-Y143 HydrophobicContact CB-CG 4.1Å; L89-Y143 HydrophobicContact CD1-CD1 4.44Å; L89-Y143 HydrophobicContact CD1-CD2 3.79Å; L89-Y143 HydrophobicContact CD1-CE2 4.37Å; L89-Y143 HydrophobicContact CD1-CG 3.84Å; L89-Y143 HydrophobicContact CD2-CD1 4.5Å; L89-Y143 HydrophobicContact CD2-CG 4.41Å; L89-Y143 HydrophobicContact CG-CG 4.36Å; L89-Y143 WeakPolarHBondContact O-CE1 3.29Å; L89-L147 HydrophobicContact CD2-CD1 3.84Å; L89-L147 HydrophobicContact CD2-CG 4.47Å; L89-F174 HydrophobicContact CD2-CD1 4.33Å; L89-F174 HydrophobicContact CD2-CE1 4.13Å; L89-F183 HydrophobicContact CD1-CE1 3.92Å; L89-F183 HydrophobicContact CD1-CZ 4.4Å; L89-F183 HydrophobicContact CD2-CD1 4.23Å; L89-F183 HydrophobicContact CD2-CE1 3.6Å; L89-F183 HydrophobicContact CD2-CZ 4.27Å; L89-F183 HydrophobicContact CG-CE1 3.78Å; L89-F183 HydrophobicContact CG-CZ 4.09Å; L89-Y187 HydrophobicContact CD1-CD2 3.78Å; L89-Y187 HydrophobicContact CD1-CE2 3.47Å; L89-Y187 VanDerWaalsContact CD1-CE2 3.47Å |
| 90 | A | 98.2 | Very high | 98.4 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | trans | -57 | 134.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111 | E68 P86 | E68-A90 WeakPolarHBondContact OE1-CA 3.49Å; P86-A90 WeakPolarHBondContact O-CB 3.48Å; P86-A90 PolarHBondContact O-N 3.49Å | ||
| 91 | R | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | trans | -111.4 | -17.8 | -173.7 | -62.7 | -59.9 | 84.2 | -174.8 | -0.4 | 112.7 | Y64 E68 E88 L89 E93 S94 I95 Y143 F171 A173 F174 | Y64-R91 HydrophobicContact CD1-CB 3.62Å; Y64-R91 HydrophobicContact CD1-CG 3.65Å; Y64-R91 HydrophobicContact CD2-CB 4.29Å; Y64-R91 HydrophobicContact CE1-CB 3.92Å; Y64-R91 HydrophobicContact CE1-CG 3.41Å; Y64-R91 VanDerWaalsContact CE1-CG 3.41Å; Y64-R91 HydrophobicContact CE2-CG 4.43Å; Y64-R91 HydrophobicContact CG-CB 3.82Å; Y64-R91 HydrophobicContact CG-CG 4.26Å; E68-R91 PolarHBondContact OE1-N 3.24Å; E68-R91 PolarHBondContact OE2-N 3.01Å; E88-R91 PolarHBondContact O-NH2 3.2Å; L89-R91 WeakPolarHBondContact O-CG 3.32Å; L89-R91 PolarHBondContact O-N 3.34Å; L89-R91 PolarHBondContact O-NE 3.32Å; R91-E93 PolarHBondContact O-N 3.46Å; R91-S94 WeakPolarHBondContact O-CB 3.37Å; R91-S94 PolarHBondContact O-N 3.11Å; R91-S94 VanDerWaalsContact O-N 3.11Å; R91-I95 HydrophobicContact CB-CD1 3.84Å; R91-I95 HydrophobicContact CB-CG1 4.35Å; R91-I95 WeakPolarHBondContact O-CG1 3.33Å; R91-I95 PolarHBondContact O-N 2.91Å; R91-Y143 HydrophobicContact CG-CE1 4.25Å; R91-F171 HydrophobicContact CB-CD2 4.15Å; R91-F171 HydrophobicContact CB-CE2 4.14Å; R91-F171 HydrophobicContact CG-CD2 4.18Å; R91-F171 HydrophobicContact CG-CE2 3.84Å; R91-F171 PolarHBondContact NH1-O 3.4Å; R91-A173 PolarHBondContact NH1-O 2.92Å; R91-F174 VanDerWaalsContact NH1-CG 3.35Å | ||
| 92 | L | 97.9 | Very high | 98.3 | Very high | 44 Ų | 44 | 45.6 Ų | 45.6 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.7 | -53.3 | -170.3 | -169.7 | 63 | 0 | 0 | 0 | 112.1 | Y61 Q65 E68 S94 I95 E96 | Y61-L92 HydrophobicContact CD2-CD1 3.57Å; Y61-L92 HydrophobicContact CE2-CD1 3.33Å; Y61-L92 HydrophobicContact CE2-CG 4.31Å; Q65-L92 HydrophobicContact CB-CD1 3.87Å; E68-L92 VanDerWaalsContact OE2-CB 3.25Å; E68-L92 WeakPolarHBondContact OE2-CB 3.48Å; E68-L92 PolarHBondContact OE2-N 3.07Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 2.97Å; L92-I95 PolarHBondContact O-N 2.97Å; L92-I95 VanDerWaalsContact O-N 3.11Å; L92-E96 WeakPolarHBondContact O-CG 3.23Å; L92-E96 PolarHBondContact O-N 3.18Å |
| 93 | E | 98.1 | Very high | 98.2 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 60% | 0.598 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.2 | -41.1 | 179.9 | -166.7 | -165.2 | 147.7 | 0 | 0 | 112.6 | R91 E96 K97 | R91-E93 PolarHBondContact O-N 3.46Å; E93-E96 PolarHBondContact O-N 3.22Å; E93-K97 WeakPolarHBondContact O-CG 3.43Å; E93-K97 PolarHBondContact O-N 3.44Å; E93-K97 WeakPolarHBondContact OE1-CE 3.29Å; E93-K97 IonicContact OE1-NZ 2.91Å; E93-K97 PolarHBondContact OE1-NZ 2.85Å |
| 94 | S | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.7 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | R91 L92 K97 D98 S170 | R91-S94 WeakPolarHBondContact O-CB 3.37Å; R91-S94 PolarHBondContact O-N 3.11Å; R91-S94 VanDerWaalsContact O-N 3.11Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 2.97Å; S94-K97 PolarHBondContact O-N 2.79Å; S94-D98 PolarHBondContact O-N 3.09Å; S94-D98 VanDerWaalsContact O-N 3.16Å; S94-S170 WeakPolarHBondContact CB-O 3.46Å; S94-S170 WeakPolarHBondContact O-CB 3.49Å; S94-S170 PolarHBondContact OG-O 2.86Å |
| 95 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.7 | -38.4 | 178 | -61.6 | 163.7 | 0 | 0 | 0 | 110.5 | L57 L60 Y61 Y64 R91 L92 K97 D98 L99 F171 | L57-I95 HydrophobicContact CD2-CG2 4.49Å; L60-I95 HydrophobicContact CB-CD1 4.06Å; Y61-I95 HydrophobicContact CD2-CG2 4.3Å; Y61-I95 HydrophobicContact CG-CG2 4.49Å; Y64-I95 HydrophobicContact CD2-CD1 3.59Å; Y64-I95 HydrophobicContact CE2-CD1 4.35Å; Y64-I95 HydrophobicContact CG-CD1 3.99Å; R91-I95 HydrophobicContact CB-CD1 3.84Å; R91-I95 HydrophobicContact CB-CG1 4.35Å; R91-I95 WeakPolarHBondContact O-CG1 3.33Å; R91-I95 PolarHBondContact O-N 2.91Å; L92-I95 PolarHBondContact O-N 2.97Å; L92-I95 VanDerWaalsContact O-N 3.11Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.34Å; I95-D98 PolarHBondContact O-N 3.24Å; I95-L99 HydrophobicContact CG2-CD1 4.03Å; I95-L99 HydrophobicContact CG2-CG 4.24Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 WeakPolarHBondContact O-CG 3.48Å; I95-L99 PolarHBondContact O-N 3.28Å; I95-F171 HydrophobicContact CD1-CD2 3.79Å; I95-F171 HydrophobicContact CD1-CE2 4.11Å; I95-F171 HydrophobicContact CG1-CB 4.21Å; I95-F171 HydrophobicContact CG1-CD2 3.53Å; I95-F171 HydrophobicContact CG1-CE2 4.35Å; I95-F171 HydrophobicContact CG1-CG 4.22Å |
| 96 | E | 98.6 | Very high | 98 | Very high | 48 Ų | 48 | 52.8 Ų | 52.8 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 175.4 | -69 | -166.1 | 155.6 | 0 | 0 | 111.6 | Y61 L92 E93 D98 L99 E100 W107 R108 | Y61-E96 HydrophobicContact CD2-CG 4.11Å; Y61-E96 HydrophobicContact CE2-CG 3.65Å; Y61-E96 WeakPolarHBondContact CE2-OE1 3.47Å; Y61-E96 PolarHBondContact OH-OE1 3.44Å; L92-E96 WeakPolarHBondContact O-CG 3.23Å; L92-E96 PolarHBondContact O-N 3.18Å; E93-E96 PolarHBondContact O-N 3.22Å; E96-D98 VanDerWaalsContact C-N 3.34Å; E96-D98 PolarHBondContact O-N 3.17Å; E96-L99 PolarHBondContact O-N 2.94Å; E96-E100 WeakPolarHBondContact O-CB 3.09Å; E96-E100 PolarHBondContact O-N 3.44Å; E96-W107 HydrophobicContact CB-CZ2 3.89Å; E96-W107 HydrophobicContact CG-CH2 3.85Å; E96-W107 HydrophobicContact CG-CZ2 3.61Å; E96-R108 IonicContact OE1-CZ 2.78Å; E96-R108 IonicContact OE1-NH2 3.89Å; E96-R108 PolarHBondContact OE1-NH2 3.38Å; E96-R108 IonicContact OE2-NH2 2.65Å; E96-R108 PolarHBondContact OE2-NH2 3.43Å |
| 97 | K | 98.4 | Very high | 98 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 173.4 | -75.6 | 167 | 170.9 | 161.9 | 0 | 112.4 | E93 S94 I95 Y101 | E93-K97 WeakPolarHBondContact O-CG 3.43Å; E93-K97 PolarHBondContact O-N 3.44Å; E93-K97 WeakPolarHBondContact OE1-CE 3.29Å; E93-K97 IonicContact OE1-NZ 2.91Å; E93-K97 PolarHBondContact OE1-NZ 2.85Å; S94-K97 PolarHBondContact O-N 2.79Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.34Å; K97-Y101 PolarHBondContact O-N 2.84Å |
| 98 | D | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 178.9 | -66.8 | -18.6 | 0 | 0 | 0 | 111.7 | L57 S94 I95 E96 Y101 F102 G168 L169 S170 F171 | L57-D98 HydrophobicContact CD1-CB 3.9Å; L57-D98 HydrophobicContact CD2-CB 4.19Å; S94-D98 PolarHBondContact O-N 3.09Å; S94-D98 VanDerWaalsContact O-N 3.16Å; I95-D98 PolarHBondContact O-N 3.24Å; E96-D98 VanDerWaalsContact C-N 3.34Å; E96-D98 PolarHBondContact O-N 3.17Å; D98-Y101 WeakPolarHBondContact O-CB 3.5Å; D98-Y101 PolarHBondContact O-N 2.76Å; D98-F102 WeakPolarHBondContact O-CD2 3.36Å; D98-F102 PolarHBondContact O-N 2.82Å; D98-F102 VanDerWaalsContact O-N 3.15Å; D98-G168 VanDerWaalsContact CG-C 3.44Å; D98-G168 VanDerWaalsContact OD1-CA 3.28Å; D98-G168 WeakPolarHBondContact OD1-CA 3.49Å; D98-L169 PolarHBondContact OD1-N 2.76Å; D98-S170 VanDerWaalsContact CG-N 3.26Å; D98-S170 WeakPolarHBondContact OD1-CA 3.42Å; D98-S170 WeakPolarHBondContact OD1-CB 3.49Å; D98-S170 PolarHBondContact OD1-N 2.85Å; D98-S170 PolarHBondContact OD1-OG 3.48Å; D98-S170 PolarHBondContact OD2-N 2.85Å; D98-F171 WeakPolarHBondContact OD2-CB 3.5Å; D98-F171 PolarHBondContact OD2-N 2.92Å |
| 99 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.1 | -73.4 | 174.1 | 0 | 0 | 0 | 111.8 | L57 Y61 I95 E96 Y101 F102 Y103 W107 I111 | L57-L99 HydrophobicContact CB-CD2 3.86Å; L57-L99 HydrophobicContact CB-CG 4.47Å; Y61-L99 HydrophobicContact CD1-CD1 4.48Å; Y61-L99 HydrophobicContact CD2-CD1 4.11Å; Y61-L99 HydrophobicContact CG-CD1 3.84Å; I95-L99 HydrophobicContact CG2-CD1 4.03Å; I95-L99 HydrophobicContact CG2-CG 4.24Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 WeakPolarHBondContact O-CG 3.48Å; I95-L99 PolarHBondContact O-N 3.28Å; E96-L99 PolarHBondContact O-N 2.94Å; L99-Y101 VanDerWaalsContact C-N 3.3Å; L99-Y101 PolarHBondContact O-N 3.32Å; L99-F102 PolarHBondContact O-N 3.2Å; L99-Y103 HydrophobicContact CD2-CD2 4.04Å; L99-Y103 HydrophobicContact CD2-CE2 3.91Å; L99-Y103 WeakPolarHBondContact O-CB 3.41Å; L99-Y103 PolarHBondContact O-N 3.4Å; L99-W107 HydrophobicContact CB-CB 4.35Å; L99-W107 HydrophobicContact CB-CD2 3.83Å; L99-W107 HydrophobicContact CB-CE3 3.88Å; L99-W107 HydrophobicContact CB-CG 4.08Å; L99-W107 HydrophobicContact CB-CZ3 4.45Å; L99-W107 HydrophobicContact CD1-CD2 4.37Å; L99-W107 HydrophobicContact CD1-CE3 3.63Å; L99-W107 HydrophobicContact CD1-CH2 4.11Å; L99-W107 HydrophobicContact CD1-CZ3 3.49Å; L99-W107 VanDerWaalsContact CD1-CZ3 3.49Å; L99-W107 HydrophobicContact CG-CE3 4.34Å; L99-I111 HydrophobicContact CD1-CG2 4.24Å; L99-I111 HydrophobicContact CD2-CG2 3.92Å |
| 100 | E | 98.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 175 | -171.6 | -177.6 | 156.6 | 0 | 0 | 111.4 | E96 F102 G104 Q105 | E96-E100 WeakPolarHBondContact O-CB 3.09Å; E96-E100 PolarHBondContact O-N 3.44Å; E100-F102 PolarHBondContact O-N 3.32Å; E100-G104 VanDerWaalsContact O-CA 3.22Å; E100-G104 WeakPolarHBondContact O-CA 3.48Å; E100-G104 PolarHBondContact O-N 3.38Å; E100-Q105 VanDerWaalsContact OE1-CD 3.25Å; E100-Q105 PolarHBondContact OE1-NE2 3.12Å; E100-Q105 PolarHBondContact OE1-OE1 3.17Å |
| 101 | Y | 97.7 | Very high | 97.6 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.9 | 177.1 | -98.9 | 0 | 0 | 0 | 112.6 | K97 D98 L99 L163 E167 | K97-Y101 PolarHBondContact O-N 2.84Å; D98-Y101 WeakPolarHBondContact O-CB 3.5Å; D98-Y101 PolarHBondContact O-N 2.76Å; L99-Y101 VanDerWaalsContact C-N 3.3Å; L99-Y101 PolarHBondContact O-N 3.32Å; Y101-L163 HydrophobicContact CE1-CD2 4.18Å; Y101-E167 HydrophobicContact CD2-CB 3.64Å; Y101-E167 HydrophobicContact CE2-CB 3.44Å; Y101-E167 VanDerWaalsContact CE2-CB 3.44Å; Y101-E167 HydrophobicContact CE2-CG 4.38Å; Y101-E167 WeakPolarHBondContact CE2-OE2 3.49Å; Y101-E167 HydrophobicContact CG-CB 4.33Å |
| 102 | F | 97.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -88.2 | -20.5 | -175.2 | -70.2 | -60.1 | 0 | 0 | 0 | 115.7 | L50 Y53 K54 L57 D98 L99 E100 L163 G168 | L50-F102 HydrophobicContact CD1-CD1 3.73Å; L50-F102 HydrophobicContact CD1-CE1 3.45Å; L50-F102 VanDerWaalsContact CD1-CE1 3.45Å; L50-F102 HydrophobicContact CD1-CZ 4.22Å; Y53-F102 AromaticContact CD1-CE2 3.88Å; Y53-F102 HydrophobicContact CD1-CE2 3.88Å; Y53-F102 AromaticContact CD1-CZ 3.94Å; Y53-F102 HydrophobicContact CD1-CZ 3.94Å; Y53-F102 AromaticContact CE1-CE2 3.57Å; Y53-F102 HydrophobicContact CE1-CE2 3.57Å; Y53-F102 AromaticContact CE1-CZ 3.81Å; Y53-F102 HydrophobicContact CE1-CZ 3.81Å; K54-F102 HydrophobicContact CD-CB 3.93Å; K54-F102 HydrophobicContact CD-CD1 4.36Å; K54-F102 HydrophobicContact CD-CG 4.24Å; K54-F102 HydrophobicContact CG-CB 3.94Å; K54-F102 HydrophobicContact CG-CD1 4.29Å; K54-F102 HydrophobicContact CG-CD2 4.34Å; K54-F102 HydrophobicContact CG-CG 3.94Å; K54-F102 PolarHBondContact NZ-O 2.93Å; L57-F102 HydrophobicContact CD1-CD2 3.61Å; L57-F102 HydrophobicContact CD1-CE2 3.61Å; D98-F102 WeakPolarHBondContact O-CD2 3.36Å; D98-F102 PolarHBondContact O-N 2.82Å; D98-F102 VanDerWaalsContact O-N 3.15Å; L99-F102 PolarHBondContact O-N 3.2Å; E100-F102 PolarHBondContact O-N 3.32Å; F102-L163 HydrophobicContact CE1-CD2 4.15Å; F102-L163 HydrophobicContact CZ-CD1 4.11Å; F102-L163 HydrophobicContact CZ-CD2 4.37Å; F102-G168 WeakPolarHBondContact CE2-O 3.4Å |
| 103 | Y | 97.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -124.7 | -12.6 | -172.5 | -70.5 | -89.9 | 0 | 0 | 0 | 114 | K54 C58 L99 W107 K110 | K54-Y103 HydrophobicContact CB-CE2 4.03Å; K54-Y103 HydrophobicContact CD-CE2 4.33Å; K54-Y103 VanDerWaalsContact CE-CE1 3.5Å; K54-Y103 WeakPolarHBondContact CE-OH 2.96Å; K54-Y103 HydrophobicContact CG-CE2 4.2Å; C58-Y103 PolarHBondContact SG-OH 3.42Å; L99-Y103 HydrophobicContact CD2-CD2 4.04Å; L99-Y103 HydrophobicContact CD2-CE2 3.91Å; L99-Y103 WeakPolarHBondContact O-CB 3.41Å; L99-Y103 PolarHBondContact O-N 3.4Å; Y103-W107 HydrophobicContact CG-CB 4.43Å; Y103-K110 HydrophobicContact CD1-CB 3.73Å; Y103-K110 HydrophobicContact CD1-CD 4.23Å; Y103-K110 HydrophobicContact CE1-CB 4.32Å; Y103-K110 HydrophobicContact CG-CB 4.48Å; Y103-K110 WeakPolarHBondContact O-CD 3.25Å; Y103-K110 PolarHBondContact O-NZ 3.06Å |
| 104 | G | 97.7 | Very high | 96.9 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | trans | 87.8 | -177.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E100 D106 W107 | E100-G104 VanDerWaalsContact O-CA 3.22Å; E100-G104 WeakPolarHBondContact O-CA 3.48Å; E100-G104 PolarHBondContact O-N 3.38Å; G104-D106 PolarHBondContact O-N 3.47Å; G104-W107 VanDerWaalsContact O-CB 3.29Å; G104-W107 WeakPolarHBondContact O-CB 3.22Å; G104-W107 PolarHBondContact O-N 2.86Å | ||
| 105 | Q | 96.3 | Very high | 96.9 | Very high | 148 Ų | 148 | 58.2 Ų | 58.2 | 69% | 0.692 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.5 | -177.5 | -68.6 | -64.9 | -14.9 | 0 | 0 | 113.8 | E100 W107 | E100-Q105 VanDerWaalsContact OE1-CD 3.25Å; E100-Q105 PolarHBondContact OE1-NE2 3.12Å; E100-Q105 PolarHBondContact OE1-OE1 3.17Å; Q105-W107 VanDerWaalsContact C-N 3.27Å; Q105-W107 PolarHBondContact O-N 3.36Å |
| 106 | D | 96.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 23.9 | 178.9 | 59.8 | -26.6 | 0 | 0 | 0 | 112.6 | G104 R108 D109 K110 | G104-D106 PolarHBondContact O-N 3.47Å; D106-R108 PolarHBondContact O-N 2.8Å; D106-R108 VanDerWaalsContact O-N 3.16Å; D106-D109 PolarHBondContact O-N 3.11Å; D106-D109 VanDerWaalsContact O-N 3.14Å; D106-K110 WeakPolarHBondContact OD1-CE 3.41Å; D106-K110 IonicContact OD1-NZ 3.86Å; D106-K110 PolarHBondContact OD1-NZ 2.7Å; D106-K110 WeakPolarHBondContact OD2-CE 3.38Å; D106-K110 IonicContact OD2-NZ 3.6Å; D106-K110 PolarHBondContact OD2-NZ 2.83Å |
| 107 | W | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.011 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -56.4 | -33.7 | -177.8 | 64.9 | -96.9 | 0 | 0 | 0 | 113.3 | Y61 E96 L99 Y103 G104 Q105 D109 K110 I111 | Y61-W107 HydrophobicContact CD1-CH2 4.44Å; Y61-W107 HydrophobicContact CD1-CZ3 4.12Å; Y61-W107 HydrophobicContact CD2-CH2 4.03Å; Y61-W107 HydrophobicContact CD2-CZ3 4.34Å; Y61-W107 AromaticContact CE1-CH2 3.96Å; Y61-W107 HydrophobicContact CE1-CH2 3.96Å; Y61-W107 AromaticContact CE1-CZ3 3.89Å; Y61-W107 HydrophobicContact CE1-CZ3 3.89Å; Y61-W107 AromaticContact CE2-CH2 3.5Å; Y61-W107 HydrophobicContact CE2-CH2 3.5Å; Y61-W107 HydrophobicContact CE2-CZ3 4.13Å; Y61-W107 HydrophobicContact CG-CH2 4.47Å; Y61-W107 HydrophobicContact CG-CZ3 4.34Å; Y61-W107 AromaticContact CZ-CH2 3.47Å; Y61-W107 VanDerWaalsContact CZ-CH2 3.47Å; Y61-W107 AromaticContact CZ-CZ3 3.9Å; E96-W107 HydrophobicContact CB-CZ2 3.89Å; E96-W107 HydrophobicContact CG-CH2 3.85Å; E96-W107 HydrophobicContact CG-CZ2 3.61Å; L99-W107 HydrophobicContact CB-CB 4.35Å; L99-W107 HydrophobicContact CB-CD2 3.83Å; L99-W107 HydrophobicContact CB-CE3 3.88Å; L99-W107 HydrophobicContact CB-CG 4.08Å; L99-W107 HydrophobicContact CB-CZ3 4.45Å; L99-W107 HydrophobicContact CD1-CD2 4.37Å; L99-W107 HydrophobicContact CD1-CE3 3.63Å; L99-W107 HydrophobicContact CD1-CH2 4.11Å; L99-W107 HydrophobicContact CD1-CZ3 3.49Å; L99-W107 VanDerWaalsContact CD1-CZ3 3.49Å; L99-W107 HydrophobicContact CG-CE3 4.34Å; Y103-W107 HydrophobicContact CG-CB 4.43Å; G104-W107 VanDerWaalsContact O-CB 3.29Å; G104-W107 WeakPolarHBondContact O-CB 3.22Å; G104-W107 PolarHBondContact O-N 2.86Å; Q105-W107 VanDerWaalsContact C-N 3.27Å; Q105-W107 PolarHBondContact O-N 3.36Å; W107-D109 PolarHBondContact O-N 2.9Å; W107-K110 PolarHBondContact O-N 3.34Å; W107-I111 HydrophobicContact CE3-CD1 4.43Å; W107-I111 HydrophobicContact CE3-CG2 3.92Å; W107-I111 HydrophobicContact CZ3-CD1 4.07Å; W107-I111 WeakPolarHBondContact O-CG2 3.32Å; W107-I111 PolarHBondContact O-N 2.93Å; W107-I111 VanDerWaalsContact O-N 3.08Å |
| 108 | R | 96.9 | Very high | 96.9 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 50% | 0.502 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -58.1 | -33.6 | -179.7 | -71.6 | -178.3 | 173.5 | 85.3 | 0.1 | 112.5 | E96 D106 K110 | E96-R108 IonicContact OE1-CZ 2.78Å; E96-R108 IonicContact OE1-NH2 3.89Å; E96-R108 PolarHBondContact OE1-NH2 3.38Å; E96-R108 IonicContact OE2-NH2 2.65Å; E96-R108 PolarHBondContact OE2-NH2 3.43Å; D106-R108 PolarHBondContact O-N 2.8Å; D106-R108 VanDerWaalsContact O-N 3.16Å; R108-K110 VanDerWaalsContact C-N 3.32Å |
| 109 | D | 96.5 | Very high | 96.9 | Very high | 147 Ų | 147 | 63 Ų | 63 | 79% | 0.786 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -83.1 | -10.3 | 178.8 | -59.7 | -38.9 | 0 | 0 | 0 | 112.9 | D106 W107 | D106-D109 PolarHBondContact O-N 3.11Å; D106-D109 VanDerWaalsContact O-N 3.14Å; W107-D109 PolarHBondContact O-N 2.9Å |
| 110 | K | 95.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 63.1 Ų | 63.1 | 39% | 0.391 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -21.2 | -173.5 | -66.3 | 175 | 178.3 | 162.6 | 0 | 114.3 | Y103 D106 W107 R108 | Y103-K110 HydrophobicContact CD1-CB 3.73Å; Y103-K110 HydrophobicContact CD1-CD 4.23Å; Y103-K110 HydrophobicContact CE1-CB 4.32Å; Y103-K110 HydrophobicContact CG-CB 4.48Å; Y103-K110 WeakPolarHBondContact O-CD 3.25Å; Y103-K110 PolarHBondContact O-NZ 3.06Å; D106-K110 WeakPolarHBondContact OD1-CE 3.41Å; D106-K110 IonicContact OD1-NZ 3.86Å; D106-K110 PolarHBondContact OD1-NZ 2.7Å; D106-K110 WeakPolarHBondContact OD2-CE 3.38Å; D106-K110 IonicContact OD2-NZ 3.6Å; D106-K110 PolarHBondContact OD2-NZ 2.83Å; W107-K110 PolarHBondContact O-N 3.34Å; R108-K110 VanDerWaalsContact C-N 3.32Å |
| 111 | I | 95.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | trans | -69.1 | 143.9 | -177.5 | 59.3 | 163.2 | 0 | 0 | 0 | 111.3 | C58 Y61 L99 W107 V113 | C58-I111 HydrophobicContact CB-CB 4.21Å; C58-I111 HydrophobicContact CB-CG2 4.44Å; C58-I111 VanDerWaalsContact SG-CG2 3.52Å; Y61-I111 HydrophobicContact CD1-CD1 3.8Å; Y61-I111 HydrophobicContact CE1-CD1 4.13Å; L99-I111 HydrophobicContact CD1-CG2 4.24Å; L99-I111 HydrophobicContact CD2-CG2 3.92Å; W107-I111 HydrophobicContact CE3-CD1 4.43Å; W107-I111 HydrophobicContact CE3-CG2 3.92Å; W107-I111 HydrophobicContact CZ3-CD1 4.07Å; W107-I111 WeakPolarHBondContact O-CG2 3.32Å; W107-I111 PolarHBondContact O-N 2.93Å; W107-I111 VanDerWaalsContact O-N 3.08Å; I111-V113 HydrophobicContact CD1-CG2 4.41Å | ||
| 112 | V | 92.8 | Very high | 97 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 44% | 0.436 | 30% | 0.303 | S | S | . | . | trans | -118 | 123.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | C58 M225 | C58-V112 WeakPolarHBondContact CB-O 3.34Å; V112-M225 HydrophobicContact CG1-CE 3.71Å | ||
| 113 | V | 94.3 | Very high | 97 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | trans | -104 | 114.5 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | A62 I111 T117 K118 | A62-V113 HydrophobicContact CB-CG1 3.94Å; A62-V113 HydrophobicContact CB-CG2 4.2Å; I111-V113 HydrophobicContact CD1-CG2 4.41Å; V113-T117 HydrophobicContact CG1-CG2 3.67Å; V113-K118 HydrophobicContact CG1-CG 3.94Å; V113-K118 WeakPolarHBondContact O-CE 3.36Å | ||
| 114 | P | 93.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | trans | -59.1 | 159.5 | 178.7 | -21.2 | 29.9 | 0 | 0 | 0 | 113.6 | S59 A116 T117 K118 D221 L222 M225 | S59-P114 VanDerWaalsContact OG-CD 3.29Å; S59-P114 WeakPolarHBondContact OG-CD 3.48Å; S59-P114 WeakPolarHBondContact OG-CG 3.35Å; P114-A116 VanDerWaalsContact C-N 3.34Å; P114-A116 PolarHBondContact O-N 3.49Å; P114-T117 WeakPolarHBondContact O-CB 3.41Å; P114-T117 PolarHBondContact O-N 3.12Å; P114-K118 PolarHBondContact O-N 3.06Å; P114-K118 VanDerWaalsContact O-N 3.11Å; P114-D221 HydrophobicContact CB-CB 4.37Å; P114-D221 VanDerWaalsContact CB-OD2 3.23Å; P114-D221 WeakPolarHBondContact CB-OD2 3.48Å; P114-L222 HydrophobicContact CG-CD2 3.66Å; P114-L222 HydrophobicContact CG-CG 4.33Å; P114-M225 HydrophobicContact CB-SD 3.68Å; P114-M225 HydrophobicContact CG-SD 3.67Å | ||
| 115 | A | 96.9 | Very high | 97.2 | Very high | 56 Ų | 56 | 62 Ų | 62 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T117 K118 R119 D221 | A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.2Å; A115-K118 PolarHBondContact O-N 3.4Å; A115-R119 PolarHBondContact O-N 2.81Å; A115-D221 PolarHBondContact N-OD2 3.12Å; A115-D221 VanDerWaalsContact N-OD2 3.12Å |
| 116 | A | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P114 R119 Y120 Q217 V218 D221 | P114-A116 VanDerWaalsContact C-N 3.34Å; P114-A116 PolarHBondContact O-N 3.49Å; A116-R119 PolarHBondContact O-N 3.17Å; A116-Y120 PolarHBondContact O-N 2.9Å; A116-Q217 HydrophobicContact CB-CB 4.19Å; A116-Q217 WeakPolarHBondContact CB-O 3.49Å; A116-V218 HydrophobicContact CB-CG2 4.09Å; A116-D221 HydrophobicContact CB-CB 3.63Å; A116-D221 WeakPolarHBondContact CB-OD2 3.21Å; A116-D221 PolarHBondContact N-OD2 3.27Å |
| 117 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | S59 A62 I63 V113 P114 A115 R119 Y120 C121 | S59-T117 WeakPolarHBondContact CB-OG1 3.44Å; S59-T117 WeakPolarHBondContact O-CG2 3.38Å; S59-T117 PolarHBondContact OG-OG1 3.21Å; A62-T117 HydrophobicContact CB-CG2 3.92Å; I63-T117 HydrophobicContact CD1-CG2 4.05Å; I63-T117 HydrophobicContact CG1-CG2 3.8Å; V113-T117 HydrophobicContact CG1-CG2 3.67Å; P114-T117 WeakPolarHBondContact O-CB 3.41Å; P114-T117 PolarHBondContact O-N 3.12Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.2Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 2.93Å; T117-Y120 WeakPolarHBondContact O-CB 3.22Å; T117-Y120 PolarHBondContact O-N 2.88Å; T117-Y120 VanDerWaalsContact O-N 3.09Å; T117-C121 PolarHBondContact O-N 2.83Å; T117-C121 PolarHBondContact O-SG 3.47Å |
| 118 | K | 98.6 | Very high | 97.4 | Very high | 134 Ų | 134 | 54 Ų | 54 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.8 | -40.1 | 177 | -66.5 | 179.9 | -176.8 | 179.2 | 0 | 112.5 | V113 P114 A115 Y120 C121 H122 | V113-K118 HydrophobicContact CG1-CG 3.94Å; V113-K118 WeakPolarHBondContact O-CE 3.36Å; P114-K118 PolarHBondContact O-N 3.06Å; P114-K118 VanDerWaalsContact O-N 3.11Å; A115-K118 PolarHBondContact O-N 3.4Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-C121 PolarHBondContact O-N 2.81Å; K118-H122 WeakPolarHBondContact O-CB 3.32Å; K118-H122 PolarHBondContact O-N 3Å |
| 119 | R | 98.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.3 | -69.7 | -168.6 | -59.6 | -85.8 | 5.1 | 111.7 | A115 A116 T117 H122 R123 | A115-R119 PolarHBondContact O-N 2.81Å; A116-R119 PolarHBondContact O-N 3.17Å; T117-R119 VanDerWaalsContact C-N 3.31Å; T117-R119 PolarHBondContact O-N 2.93Å; R119-H122 PolarHBondContact O-N 3.27Å; R119-R123 PolarHBondContact O-N 3.41Å |
| 120 | Y | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 176.1 | -165.9 | 177.2 | 0 | 0 | 0 | 111 | I63 A116 T117 K118 H122 R123 L124 H138 F214 V218 | I63-Y120 HydrophobicContact CD1-CD1 3.69Å; I63-Y120 HydrophobicContact CD1-CE1 4.2Å; I63-Y120 HydrophobicContact CG1-CD1 3.89Å; I63-Y120 HydrophobicContact CG1-CE1 4.49Å; I63-Y120 HydrophobicContact CG1-CG 4.37Å; I63-Y120 HydrophobicContact CG2-CD1 4.26Å; I63-Y120 HydrophobicContact CG2-CE1 4.08Å; A116-Y120 PolarHBondContact O-N 2.9Å; T117-Y120 WeakPolarHBondContact O-CB 3.22Å; T117-Y120 PolarHBondContact O-N 2.88Å; T117-Y120 VanDerWaalsContact O-N 3.09Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; Y120-H122 PolarHBondContact O-N 2.79Å; Y120-R123 PolarHBondContact O-N 3.35Å; Y120-L124 HydrophobicContact CD2-CD1 4.06Å; Y120-L124 HydrophobicContact CD2-CG 3.96Å; Y120-L124 HydrophobicContact CE2-CD1 3.96Å; Y120-L124 HydrophobicContact CE2-CD2 3.96Å; Y120-L124 HydrophobicContact CE2-CG 3.82Å; Y120-L124 PolarHBondContact O-N 3.47Å; Y120-H138 AromaticContact CE2-CE1 3.5Å; Y120-H138 VanDerWaalsContact CE2-CE1 3.5Å; Y120-H138 WeakPolarHBondContact CE2-CE1 3.41Å; Y120-H138 AromaticContact CE2-ND1 3.23Å; Y120-H138 WeakPolarHBondContact CE2-ND1 3.04Å; Y120-H138 AromaticContact CZ-ND1 3.58Å; Y120-H138 PolarHBondContact OH-ND1 2.91Å; Y120-F214 HydrophobicContact CD1-CB 3.54Å; Y120-F214 HydrophobicContact CD1-CG 4.37Å; Y120-F214 HydrophobicContact CD2-CB 3.78Å; Y120-F214 HydrophobicContact CD2-CD1 4.36Å; Y120-F214 AromaticContact CD2-CD2 3.95Å; Y120-F214 HydrophobicContact CD2-CD2 3.95Å; Y120-F214 AromaticContact CD2-CG 3.79Å; Y120-F214 HydrophobicContact CD2-CG 3.79Å; Y120-F214 HydrophobicContact CE1-CB 3.78Å; Y120-F214 HydrophobicContact CE2-CB 4.08Å; Y120-F214 HydrophobicContact CE2-CD2 4.17Å; Y120-F214 HydrophobicContact CE2-CG 4.29Å; Y120-F214 HydrophobicContact CG-CB 3.53Å; Y120-F214 HydrophobicContact CG-CD1 4.23Å; Y120-F214 HydrophobicContact CG-CD2 4.48Å; Y120-F214 AromaticContact CG-CG 3.86Å; Y120-F214 HydrophobicContact CG-CG 3.86Å; Y120-V218 HydrophobicContact CD1-CG2 4.47Å |
| 121 | C | 98.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.1 | -38.3 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | A62 A66 T117 K118 L124 R125 | A62-C121 PolarHBondContact O-SG 3.17Å; A66-C121 HydrophobicContact CB-CB 3.88Å; T117-C121 PolarHBondContact O-N 2.83Å; T117-C121 PolarHBondContact O-SG 3.47Å; K118-C121 PolarHBondContact O-N 2.81Å; C121-L124 PolarHBondContact O-N 3.27Å; C121-R125 WeakPolarHBondContact O-CG 3.27Å; C121-R125 PolarHBondContact O-N 3.09Å; C121-R125 VanDerWaalsContact O-N 3.17Å |
| 122 | H | 98.8 | Very high | 97.7 | Very high | 127 Ų | 127 | 50.9 Ų | 50.9 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.3 | -45.6 | 175.6 | 178.2 | 68.8 | 0 | 0 | 0 | 111.7 | K118 R119 Y120 L124 R125 Q126 | K118-H122 WeakPolarHBondContact O-CB 3.32Å; K118-H122 PolarHBondContact O-N 3Å; R119-H122 PolarHBondContact O-N 3.27Å; Y120-H122 PolarHBondContact O-N 2.79Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.23Å; H122-R125 PolarHBondContact O-N 3.29Å; H122-Q126 WeakPolarHBondContact O-CB 3.37Å; H122-Q126 PolarHBondContact O-N 3Å |
| 123 | R | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 177.4 | -179.5 | 59.7 | 177.1 | 163.4 | 6 | 112 | R119 Y120 R125 Q126 I127 E207 F214 | R119-R123 PolarHBondContact O-N 3.41Å; Y120-R123 PolarHBondContact O-N 3.35Å; R123-R125 VanDerWaalsContact C-N 3.34Å; R123-R125 PolarHBondContact O-N 2.85Å; R123-Q126 WeakPolarHBondContact O-CB 3.37Å; R123-Q126 PolarHBondContact O-N 2.87Å; R123-I127 HydrophobicContact CG-CG2 4.45Å; R123-I127 WeakPolarHBondContact O-CG1 3.38Å; R123-I127 PolarHBondContact O-N 3.31Å; R123-E207 WeakPolarHBondContact CG-OE1 3.04Å; R123-E207 IonicContact CZ-OE1 2.87Å; R123-E207 IonicContact CZ-OE2 3.51Å; R123-E207 IonicContact NE-OE1 3.93Å; R123-E207 PolarHBondContact NE-OE1 2.98Å; R123-E207 IonicContact NE-OE2 3.26Å; R123-E207 PolarHBondContact NE-OE2 3.41Å; R123-E207 IonicContact NH2-OE1 2.65Å; R123-E207 IonicContact NH2-OE2 2.88Å; R123-E207 PolarHBondContact NH2-OE2 2.9Å; R123-F214 HydrophobicContact CB-CE1 4.45Å; R123-F214 HydrophobicContact CB-CE2 3.94Å; R123-F214 HydrophobicContact CB-CZ 3.71Å; R123-F214 HydrophobicContact CG-CE2 3.68Å; R123-F214 HydrophobicContact CG-CZ 3.84Å |
| 124 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 177.2 | -71.6 | 170.5 | 0 | 0 | 0 | 111.6 | I63 A66 L67 Y120 C121 H122 I127 G128 H138 | I63-L124 HydrophobicContact CG2-CD1 4.2Å; A66-L124 HydrophobicContact CB-CB 4.24Å; A66-L124 HydrophobicContact CB-CD1 4.05Å; L67-L124 HydrophobicContact CB-CD1 4.06Å; L67-L124 HydrophobicContact CD1-CD2 4.05Å; Y120-L124 HydrophobicContact CD2-CD1 4.06Å; Y120-L124 HydrophobicContact CD2-CG 3.96Å; Y120-L124 HydrophobicContact CE2-CD1 3.96Å; Y120-L124 HydrophobicContact CE2-CD2 3.96Å; Y120-L124 HydrophobicContact CE2-CG 3.82Å; Y120-L124 PolarHBondContact O-N 3.47Å; C121-L124 PolarHBondContact O-N 3.27Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.23Å; L124-I127 VanDerWaalsContact O-CG1 3.23Å; L124-I127 WeakPolarHBondContact O-CG1 3.32Å; L124-I127 PolarHBondContact O-N 3.13Å; L124-G128 PolarHBondContact O-N 2.9Å; L124-H138 HydrophobicContact CD2-CB 3.65Å; L124-H138 VanDerWaalsContact CD2-CG 3.47Å |
| 125 | R | 98.8 | Very high | 98.4 | Very high | 78 Ų | 78 | 46.8 Ų | 46.8 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.1 | -68 | -175.9 | -179.7 | 106.1 | -0.1 | 112.9 | A66 E69 E70 C121 H122 R123 Q129 | A66-R125 HydrophobicContact CB-CG 4.47Å; E69-R125 IonicContact OE1-NH2 2.84Å; E69-R125 IonicContact OE2-CZ 2.77Å; E69-R125 IonicContact OE2-NE 3.84Å; E69-R125 PolarHBondContact OE2-NE 3.09Å; E69-R125 IonicContact OE2-NH2 3.16Å; E69-R125 PolarHBondContact OE2-NH2 3.04Å; E70-R125 HydrophobicContact CG-CG 4.21Å; C121-R125 WeakPolarHBondContact O-CG 3.27Å; C121-R125 PolarHBondContact O-N 3.09Å; C121-R125 VanDerWaalsContact O-N 3.17Å; H122-R125 PolarHBondContact O-N 3.29Å; R123-R125 VanDerWaalsContact C-N 3.34Å; R123-R125 PolarHBondContact O-N 2.85Å; R125-Q129 WeakPolarHBondContact O-CG 3.38Å; R125-Q129 PolarHBondContact O-N 2.79Å |
| 126 | Q | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -51.7 | 176 | -174.2 | -167.6 | -22.3 | 0 | 0 | 110.9 | H122 R123 G128 Q129 E130 | H122-Q126 WeakPolarHBondContact O-CB 3.37Å; H122-Q126 PolarHBondContact O-N 3Å; R123-Q126 WeakPolarHBondContact O-CB 3.37Å; R123-Q126 PolarHBondContact O-N 2.87Å; Q126-G128 VanDerWaalsContact C-N 3.32Å; Q126-G128 PolarHBondContact O-N 3.38Å; Q126-Q129 PolarHBondContact O-N 2.77Å; Q126-E130 VanDerWaalsContact CG-CD 3.48Å; Q126-E130 HydrophobicContact CG-CG 4.39Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.29Å; Q126-E130 WeakPolarHBondContact CG-OE2 3.38Å; Q126-E130 PolarHBondContact NE2-OE2 2.49Å; Q126-E130 WeakPolarHBondContact O-CB 3.27Å; Q126-E130 WeakPolarHBondContact O-CG 3.28Å; Q126-E130 PolarHBondContact O-N 3.13Å |
| 127 | I | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -33.3 | -179.8 | 65.7 | 176.6 | 0 | 0 | 0 | 112.1 | R123 L124 Q129 E130 N131 F134 L135 H138 | R123-I127 HydrophobicContact CG-CG2 4.45Å; R123-I127 WeakPolarHBondContact O-CG1 3.38Å; R123-I127 PolarHBondContact O-N 3.31Å; L124-I127 VanDerWaalsContact O-CG1 3.23Å; L124-I127 WeakPolarHBondContact O-CG1 3.32Å; L124-I127 PolarHBondContact O-N 3.13Å; I127-Q129 PolarHBondContact O-N 3.29Å; I127-E130 PolarHBondContact O-N 3.06Å; I127-N131 CarbonylContact O-C 3.57Å; I127-N131 WeakPolarHBondContact O-CA 3.36Å; I127-N131 PolarHBondContact O-N 3.44Å; I127-N131 VanDerWaalsContact O-O 3.13Å; I127-F134 HydrophobicContact CB-CB 4.37Å; I127-F134 HydrophobicContact CD1-CB 4.24Å; I127-L135 HydrophobicContact CD1-CD2 3.98Å; I127-L135 HydrophobicContact CD1-CG 4.46Å; I127-L135 HydrophobicContact CG1-CD2 3.93Å; I127-L135 HydrophobicContact CG1-CG 4.41Å; I127-H138 WeakPolarHBondContact CD1-CD2 3.32Å; I127-H138 WeakPolarHBondContact CD1-NE2 3.48Å |
| 128 | G | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -23.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E70 N74 L124 Q126 | E70-G128 WeakPolarHBondContact OE2-CA 3.18Å; N74-G128 PolarHBondContact ND2-O 3.38Å; N74-G128 PolarHBondContact OD1-O 3.45Å; L124-G128 PolarHBondContact O-N 2.9Å; Q126-G128 VanDerWaalsContact C-N 3.32Å; Q126-G128 PolarHBondContact O-N 3.38Å |
| 129 | Q | 98.1 | Very high | 98.5 | Very high | 139 Ų | 139 | 37.7 Ų | 37.7 | 65% | 0.65 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -93.3 | -44 | 175.5 | -67.8 | 171 | 19.3 | 0 | 0 | 112.8 | R125 Q126 I127 | R125-Q129 WeakPolarHBondContact O-CG 3.38Å; R125-Q129 PolarHBondContact O-N 2.79Å; Q126-Q129 PolarHBondContact O-N 2.77Å; I127-Q129 PolarHBondContact O-N 3.29Å |
| 130 | E | 97.8 | Very high | 98.4 | Very high | 113 Ų | 113 | 32.9 Ų | 32.9 | 53% | 0.528 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -92.9 | -36.8 | -169.7 | -63.8 | 173.2 | -179.3 | 0 | 0 | 112.9 | Q126 I127 | Q126-E130 VanDerWaalsContact CG-CD 3.48Å; Q126-E130 HydrophobicContact CG-CG 4.39Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.29Å; Q126-E130 WeakPolarHBondContact CG-OE2 3.38Å; Q126-E130 PolarHBondContact NE2-OE2 2.49Å; Q126-E130 WeakPolarHBondContact O-CB 3.27Å; Q126-E130 WeakPolarHBondContact O-CG 3.28Å; Q126-E130 PolarHBondContact O-N 3.13Å; I127-E130 PolarHBondContact O-N 3.06Å |
| 131 | N | 97.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 33.4 Ų | 33.4 | 36% | 0.358 | 16% | 0.157 | S | C | . | . | trans | -145.7 | 66.9 | -171.5 | -61.4 | -83.3 | 0 | 0 | 0 | 111.5 | I127 A133 F134 | I127-N131 CarbonylContact O-C 3.57Å; I127-N131 WeakPolarHBondContact O-CA 3.36Å; I127-N131 PolarHBondContact O-N 3.44Å; I127-N131 VanDerWaalsContact O-O 3.13Å; N131-A133 PolarHBondContact O-N 3.31Å; N131-F134 HydrophobicContact CB-CD1 4.26Å; N131-F134 HydrophobicContact CB-CD2 4.11Å; N131-F134 HydrophobicContact CB-CE1 4.49Å; N131-F134 HydrophobicContact CB-CE2 4.36Å; N131-F134 HydrophobicContact CB-CG 4.05Å; N131-F134 WeakPolarHBondContact O-CB 3.32Å; N131-F134 PolarHBondContact O-N 2.72Å | ||
| 132 | P | 98.3 | Very high | 98.2 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -58.2 | -29.2 | -169.5 | -27.1 | 35.3 | 0 | 0 | 0 | 114.8 | N74 H77 V80 F134 L135 | N74-P132 HydrophobicContact CB-CB 4.06Å; N74-P132 WeakPolarHBondContact OD1-CB 3.46Å; N74-P132 VanDerWaalsContact OD1-CG 3.27Å; N74-P132 WeakPolarHBondContact OD1-CG 3.29Å; H77-P132 HydrophobicContact CB-CB 4.38Å; V80-P132 HydrophobicContact CG2-CB 4.39Å; V80-P132 VanDerWaalsContact CG2-O 3.28Å; V80-P132 WeakPolarHBondContact CG2-O 3.5Å; P132-F134 PolarHBondContact O-N 2.91Å; P132-F134 VanDerWaalsContact O-N 3.13Å; P132-L135 VanDerWaalsContact O-CB 3.27Å; P132-L135 WeakPolarHBondContact O-CB 3.23Å; P132-L135 WeakPolarHBondContact O-CG 3.44Å; P132-L135 PolarHBondContact O-N 2.83Å |
| 133 | A | 97.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -56.3 | -27.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N131 L135 V136 L196 | N131-A133 PolarHBondContact O-N 3.31Å; A133-L135 PolarHBondContact O-N 2.9Å; A133-V136 WeakPolarHBondContact O-CB 3.19Å; A133-V136 WeakPolarHBondContact O-CG1 3.47Å; A133-V136 PolarHBondContact O-N 3.19Å; A133-L196 HydrophobicContact CB-CD2 3.95Å |
| 134 | F | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 27 Ų | 27 | 10% | 0.096 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -74.2 | -14.1 | -178.6 | -69.3 | 17.5 | 0 | 0 | 0 | 112.6 | I127 N131 P132 V136 A137 V204 E207 | I127-F134 HydrophobicContact CB-CB 4.37Å; I127-F134 HydrophobicContact CD1-CB 4.24Å; N131-F134 HydrophobicContact CB-CD1 4.26Å; N131-F134 HydrophobicContact CB-CD2 4.11Å; N131-F134 HydrophobicContact CB-CE1 4.49Å; N131-F134 HydrophobicContact CB-CE2 4.36Å; N131-F134 HydrophobicContact CB-CG 4.05Å; N131-F134 WeakPolarHBondContact O-CB 3.32Å; N131-F134 PolarHBondContact O-N 2.72Å; P132-F134 PolarHBondContact O-N 2.91Å; P132-F134 VanDerWaalsContact O-N 3.13Å; F134-V136 PolarHBondContact O-N 3.15Å; F134-V136 VanDerWaalsContact O-N 3.15Å; F134-A137 WeakPolarHBondContact O-CB 3.37Å; F134-A137 PolarHBondContact O-N 3.04Å; F134-V204 HydrophobicContact CD1-CG2 3.56Å; F134-V204 HydrophobicContact CE1-CG2 3.99Å; F134-V204 HydrophobicContact CG-CG2 4.34Å; F134-E207 HydrophobicContact CB-CB 4.5Å; F134-E207 HydrophobicContact CB-CG 4.28Å; F134-E207 HydrophobicContact CD2-CB 4.16Å; F134-E207 HydrophobicContact CD2-CG 4.33Å |
| 135 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -27.3 | 171.9 | -69 | 168.2 | 0 | 0 | 0 | 111.8 | E70 L71 N74 V80 I127 P132 A133 A137 H138 A139 | E70-L135 HydrophobicContact CB-CD1 4.12Å; E70-L135 HydrophobicContact CB-CD2 3.89Å; L71-L135 HydrophobicContact CD2-CB 4.12Å; L71-L135 HydrophobicContact CD2-CD1 4.48Å; N74-L135 HydrophobicContact CB-CD1 4.13Å; V80-L135 HydrophobicContact CG2-CB 4.3Å; V80-L135 HydrophobicContact CG2-CD1 4.05Å; I127-L135 HydrophobicContact CD1-CD2 3.98Å; I127-L135 HydrophobicContact CD1-CG 4.46Å; I127-L135 HydrophobicContact CG1-CD2 3.93Å; I127-L135 HydrophobicContact CG1-CG 4.41Å; P132-L135 VanDerWaalsContact O-CB 3.27Å; P132-L135 WeakPolarHBondContact O-CB 3.23Å; P132-L135 WeakPolarHBondContact O-CG 3.44Å; P132-L135 PolarHBondContact O-N 2.83Å; A133-L135 PolarHBondContact O-N 2.9Å; L135-A137 PolarHBondContact O-N 3.02Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-A139 WeakPolarHBondContact O-CB 3.47Å; L135-A139 PolarHBondContact O-N 2.97Å |
| 136 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.2 | -37.8 | 175.2 | 76.9 | 0 | 0 | 0 | 0 | 112.2 | L19 I83 A133 F134 Y140 M191 V204 | L19-V136 HydrophobicContact CD2-CG1 4.35Å; I83-V136 HydrophobicContact CG1-CG2 4.21Å; I83-V136 HydrophobicContact CG2-CG2 4.26Å; A133-V136 WeakPolarHBondContact O-CB 3.19Å; A133-V136 WeakPolarHBondContact O-CG1 3.47Å; A133-V136 PolarHBondContact O-N 3.19Å; F134-V136 PolarHBondContact O-N 3.15Å; F134-V136 VanDerWaalsContact O-N 3.15Å; V136-Y140 WeakPolarHBondContact O-CB 3.46Å; V136-Y140 PolarHBondContact O-N 3.26Å; V136-M191 HydrophobicContact CG2-CG 3.58Å; V136-M191 HydrophobicContact CG2-SD 3.71Å; V136-V204 HydrophobicContact CG1-CG1 3.53Å; V136-V204 HydrophobicContact CG1-CG2 4.08Å |
| 137 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F134 L135 T141 V204 E207 A208 | F134-A137 WeakPolarHBondContact O-CB 3.37Å; F134-A137 PolarHBondContact O-N 3.04Å; L135-A137 PolarHBondContact O-N 3.02Å; A137-T141 WeakPolarHBondContact O-CB 3.2Å; A137-T141 PolarHBondContact O-N 2.95Å; A137-T141 PolarHBondContact O-OG1 3.29Å; A137-V204 HydrophobicContact CB-CG1 4.28Å; A137-E207 HydrophobicContact CB-CB 4.06Å; A137-E207 HydrophobicContact CB-CG 4.31Å; A137-A208 HydrophobicContact CB-CB 3.95Å |
| 138 | H | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.2 | -43.9 | 179.6 | -70.5 | -79.8 | 0 | 0 | 0 | 112.3 | L67 Y120 L124 I127 L135 Y140 T141 R142 E207 A211 | L67-H138 HydrophobicContact CD1-CB 4.11Å; Y120-H138 AromaticContact CE2-CE1 3.5Å; Y120-H138 VanDerWaalsContact CE2-CE1 3.5Å; Y120-H138 WeakPolarHBondContact CE2-CE1 3.41Å; Y120-H138 AromaticContact CE2-ND1 3.23Å; Y120-H138 WeakPolarHBondContact CE2-ND1 3.04Å; Y120-H138 AromaticContact CZ-ND1 3.58Å; Y120-H138 PolarHBondContact OH-ND1 2.91Å; L124-H138 HydrophobicContact CD2-CB 3.65Å; L124-H138 VanDerWaalsContact CD2-CG 3.47Å; I127-H138 WeakPolarHBondContact CD1-CD2 3.32Å; I127-H138 WeakPolarHBondContact CD1-NE2 3.48Å; L135-H138 PolarHBondContact O-N 3.24Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 3.48Å; H138-T141 PolarHBondContact O-N 3.23Å; H138-R142 WeakPolarHBondContact O-CB 3.4Å; H138-R142 WeakPolarHBondContact O-CG 3.46Å; H138-R142 PolarHBondContact O-N 3.1Å; H138-E207 IonicContact CE1-OE1 2.6Å; H138-E207 WeakPolarHBondContact NE2-CG 3.29Å; H138-E207 IonicContact NE2-OE1 3.5Å; H138-E207 PolarHBondContact NE2-OE1 3.46Å; H138-E207 VanDerWaalsContact NE2-OE1 3.16Å; H138-A211 WeakPolarHBondContact ND1-CB 3.5Å |
| 139 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | L71 I83 L135 Y143 Y187 | L71-A139 HydrophobicContact CD1-CB 4.45Å; I83-A139 HydrophobicContact CD1-CB 4.23Å; L135-A139 WeakPolarHBondContact O-CB 3.47Å; L135-A139 PolarHBondContact O-N 2.97Å; A139-Y143 HydrophobicContact CB-CD2 3.92Å; A139-Y143 HydrophobicContact CB-CE2 4Å; A139-Y143 WeakPolarHBondContact O-CB 3.43Å; A139-Y143 VanDerWaalsContact O-CD2 3.29Å; A139-Y143 WeakPolarHBondContact O-CD2 3.42Å; A139-Y143 PolarHBondContact O-N 3.5Å; A139-Y187 VanDerWaalsContact CB-OH 3.25Å; A139-Y187 WeakPolarHBondContact CB-OH 3.37Å |
| 140 | Y | 97.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -56.1 | -54.2 | 171.4 | 173.8 | -87.2 | 0 | 0 | 0 | 111.5 | I23 V136 H138 R142 L144 M191 | I23-Y140 HydrophobicContact CB-CE1 4.39Å; I23-Y140 HydrophobicContact CG2-CD1 3.44Å; I23-Y140 VanDerWaalsContact CG2-CD1 3.44Å; I23-Y140 HydrophobicContact CG2-CE1 3.31Å; I23-Y140 HydrophobicContact CG2-CG 4.15Å; V136-Y140 WeakPolarHBondContact O-CB 3.46Å; V136-Y140 PolarHBondContact O-N 3.26Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 3.48Å; Y140-R142 VanDerWaalsContact C-N 3.28Å; Y140-R142 PolarHBondContact O-N 3.33Å; Y140-L144 HydrophobicContact CD2-CD2 3.23Å; Y140-L144 HydrophobicContact CE2-CD2 3.32Å; Y140-L144 HydrophobicContact CG-CD2 4.11Å; Y140-L144 WeakPolarHBondContact O-CB 3.46Å; Y140-L144 PolarHBondContact O-N 2.95Å; Y140-M191 HydrophobicContact CD2-CE 3.42Å; Y140-M191 VanDerWaalsContact CD2-CE 3.42Å; Y140-M191 HydrophobicContact CD2-SD 3.69Å; Y140-M191 HydrophobicContact CE2-CE 3.74Å; Y140-M191 HydrophobicContact CG-CE 4.4Å; Y140-M191 HydrophobicContact CG-SD 4.21Å |
| 141 | T | 96.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 8% | 0.08 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -60.2 | -39.1 | -174.8 | -62.1 | 0 | 0 | 0 | 0 | 112 | A137 H138 A211 F212 | A137-T141 WeakPolarHBondContact O-CB 3.2Å; A137-T141 PolarHBondContact O-N 2.95Å; A137-T141 PolarHBondContact O-OG1 3.29Å; H138-T141 PolarHBondContact O-N 3.23Å; T141-A211 HydrophobicContact CG2-CB 4.06Å; T141-F212 HydrophobicContact CG2-CD2 3.75Å; T141-F212 HydrophobicContact CG2-CE1 4.44Å; T141-F212 HydrophobicContact CG2-CE2 3.63Å; T141-F212 HydrophobicContact CG2-CG 4.21Å; T141-F212 HydrophobicContact CG2-CZ 4Å |
| 142 | R | 97.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 19.2 Ų | 19.2 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -79.4 | -67.2 | -179.8 | -68.5 | -55.4 | -50.9 | 165.9 | 14.8 | 111.8 | L60 Y64 L67 H138 Y140 L144 G145 D146 N215 | L60-R142 VanDerWaalsContact CD2-NH2 3.31Å; Y64-R142 HydrophobicContact CE1-CB 4.29Å; Y64-R142 PolarHBondContact OH-NE 3.41Å; Y64-R142 PolarHBondContact OH-NH2 2.99Å; L67-R142 HydrophobicContact CD2-CB 4.31Å; L67-R142 HydrophobicContact CD2-CG 4.29Å; H138-R142 WeakPolarHBondContact O-CB 3.4Å; H138-R142 WeakPolarHBondContact O-CG 3.46Å; H138-R142 PolarHBondContact O-N 3.1Å; Y140-R142 VanDerWaalsContact C-N 3.28Å; Y140-R142 PolarHBondContact O-N 3.33Å; R142-L144 PolarHBondContact O-N 3.13Å; R142-G145 WeakPolarHBondContact O-CA 3.36Å; R142-G145 PolarHBondContact O-N 3.48Å; R142-G145 VanDerWaalsContact O-N 3.1Å; R142-D146 IonicContact NH2-OD1 2.72Å; R142-D146 PolarHBondContact NH2-OD1 3.48Å; R142-D146 PolarHBondContact O-N 2.82Å; R142-N215 PolarHBondContact NH1-OD1 3.25Å |
| 143 | Y | 98.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -64.1 | -39.2 | -168.3 | -63.8 | -52 | 0 | 0 | 0 | 113.6 | Y64 L67 E68 L71 L89 R91 A139 G145 D146 L147 | Y64-Y143 HydrophobicContact CD1-CE1 4.02Å; Y64-Y143 AromaticContact CE1-CD1 3.99Å; Y64-Y143 HydrophobicContact CE1-CD1 3.99Å; Y64-Y143 AromaticContact CE1-CE1 3.55Å; Y64-Y143 HydrophobicContact CE1-CE1 3.55Å; L67-Y143 HydrophobicContact CD2-CE2 4.24Å; E68-Y143 WeakPolarHBondContact CG-OH 3.44Å; E68-Y143 PolarHBondContact OE1-OH 3.41Å; L71-Y143 HydrophobicContact CD1-CE2 3.91Å; L89-Y143 HydrophobicContact CB-CD1 3.86Å; L89-Y143 HydrophobicContact CB-CD2 4.35Å; L89-Y143 HydrophobicContact CB-CE1 3.9Å; L89-Y143 HydrophobicContact CB-CE2 4.39Å; L89-Y143 HydrophobicContact CB-CG 4.1Å; L89-Y143 HydrophobicContact CD1-CD1 4.44Å; L89-Y143 HydrophobicContact CD1-CD2 3.79Å; L89-Y143 HydrophobicContact CD1-CE2 4.37Å; L89-Y143 HydrophobicContact CD1-CG 3.84Å; L89-Y143 HydrophobicContact CD2-CD1 4.5Å; L89-Y143 HydrophobicContact CD2-CG 4.41Å; L89-Y143 HydrophobicContact CG-CG 4.36Å; L89-Y143 WeakPolarHBondContact O-CE1 3.29Å; R91-Y143 HydrophobicContact CG-CE1 4.25Å; A139-Y143 HydrophobicContact CB-CD2 3.92Å; A139-Y143 HydrophobicContact CB-CE2 4Å; A139-Y143 WeakPolarHBondContact O-CB 3.43Å; A139-Y143 VanDerWaalsContact O-CD2 3.29Å; A139-Y143 WeakPolarHBondContact O-CD2 3.42Å; A139-Y143 PolarHBondContact O-N 3.5Å; Y143-G145 VanDerWaalsContact C-N 3.34Å; Y143-D146 PolarHBondContact O-N 3.34Å; Y143-L147 WeakPolarHBondContact O-CB 3.49Å; Y143-L147 WeakPolarHBondContact O-CG 3.41Å; Y143-L147 PolarHBondContact O-N 3.01Å |
| 144 | L | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -75 | -27.6 | 178.3 | -85.4 | 37.6 | 0 | 0 | 0 | 112.1 | Y140 R142 S148 K184 Y187 R188 | Y140-L144 HydrophobicContact CD2-CD2 3.23Å; Y140-L144 HydrophobicContact CE2-CD2 3.32Å; Y140-L144 HydrophobicContact CG-CD2 4.11Å; Y140-L144 WeakPolarHBondContact O-CB 3.46Å; Y140-L144 PolarHBondContact O-N 2.95Å; R142-L144 PolarHBondContact O-N 3.13Å; L144-S148 VanDerWaalsContact O-CB 3.24Å; L144-S148 WeakPolarHBondContact O-CB 3.4Å; L144-S148 PolarHBondContact O-N 3.23Å; L144-S148 PolarHBondContact O-OG 3.02Å; L144-K184 HydrophobicContact CG-CG 4.24Å; L144-Y187 HydrophobicContact CD1-CD1 3.53Å; L144-Y187 HydrophobicContact CD1-CD2 4.29Å; L144-Y187 HydrophobicContact CD1-CE1 3.98Å; L144-Y187 HydrophobicContact CD1-CG 3.7Å; L144-Y187 HydrophobicContact CD2-CD1 3.8Å; L144-Y187 HydrophobicContact CD2-CE1 4.26Å; L144-Y187 HydrophobicContact CG-CD1 4.34Å; L144-R188 HydrophobicContact CD2-CG 4.34Å |
| 145 | G | 93.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 39% | 0.392 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -48.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R142 Y143 L147 S148 G149 G150 | R142-G145 WeakPolarHBondContact O-CA 3.36Å; R142-G145 PolarHBondContact O-N 3.48Å; R142-G145 VanDerWaalsContact O-N 3.1Å; Y143-G145 VanDerWaalsContact C-N 3.34Å; G145-L147 PolarHBondContact O-N 2.77Å; G145-S148 PolarHBondContact O-N 3.16Å; G145-S148 VanDerWaalsContact O-N 3.13Å; G145-G149 PolarHBondContact O-N 3.33Å; G145-G150 PolarHBondContact O-N 3.2Å |
| 146 | D | 96.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -63.4 | -42.1 | 179.9 | -52.9 | -36.5 | 0 | 0 | 0 | 112.3 | Y64 R142 Y143 S148 G150 F171 F174 | Y64-D146 PolarHBondContact OH-OD1 3.26Å; Y64-D146 PolarHBondContact OH-OD2 2.7Å; R142-D146 IonicContact NH2-OD1 2.72Å; R142-D146 PolarHBondContact NH2-OD1 3.48Å; R142-D146 PolarHBondContact O-N 2.82Å; Y143-D146 PolarHBondContact O-N 3.34Å; D146-S148 PolarHBondContact O-N 2.78Å; D146-G150 WeakPolarHBondContact O-CA 3.49Å; D146-G150 PolarHBondContact O-N 2.75Å; D146-G150 VanDerWaalsContact O-N 3.13Å; D146-F171 WeakPolarHBondContact OD1-CZ 3.32Å; D146-F174 HydrophobicContact CB-CE2 4.05Å; D146-F174 HydrophobicContact CB-CZ 3.56Å |
| 147 | L | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -72.6 | -10.7 | 176.7 | -72.6 | 176.3 | 0 | 0 | 0 | 114 | L89 Y143 G145 F174 V177 P180 F183 K184 | L89-L147 HydrophobicContact CD2-CD1 3.84Å; L89-L147 HydrophobicContact CD2-CG 4.47Å; Y143-L147 WeakPolarHBondContact O-CB 3.49Å; Y143-L147 WeakPolarHBondContact O-CG 3.41Å; Y143-L147 PolarHBondContact O-N 3.01Å; G145-L147 PolarHBondContact O-N 2.77Å; L147-F174 HydrophobicContact CD2-CB 4.27Å; L147-F174 HydrophobicContact CD2-CD1 3.65Å; L147-F174 HydrophobicContact CD2-CD2 3.9Å; L147-F174 HydrophobicContact CD2-CE1 3.9Å; L147-F174 HydrophobicContact CD2-CE2 4.14Å; L147-F174 HydrophobicContact CD2-CG 3.67Å; L147-F174 HydrophobicContact CD2-CZ 4.15Å; L147-F174 HydrophobicContact CG-CD1 4.41Å; L147-F174 HydrophobicContact CG-CE1 4.2Å; L147-F174 HydrophobicContact CG-CZ 4.37Å; L147-V177 HydrophobicContact CD2-CG1 4.26Å; L147-V177 HydrophobicContact CD2-CG2 4.43Å; L147-P180 HydrophobicContact CD2-CB 4.36Å; L147-F183 HydrophobicContact CD1-CD1 3.72Å; L147-F183 HydrophobicContact CD1-CE1 4.38Å; L147-K184 HydrophobicContact CB-CD 4.07Å; L147-K184 HydrophobicContact CB-CG 4Å; L147-K184 HydrophobicContact CD1-CG 4.16Å |
| 148 | S | 88.6 | Confident | 93.1 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 38% | 0.378 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -105.1 | -69.5 | 179.6 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | L144 G145 D146 K184 | L144-S148 VanDerWaalsContact O-CB 3.24Å; L144-S148 WeakPolarHBondContact O-CB 3.4Å; L144-S148 PolarHBondContact O-N 3.23Å; L144-S148 PolarHBondContact O-OG 3.02Å; G145-S148 PolarHBondContact O-N 3.16Å; G145-S148 VanDerWaalsContact O-N 3.13Å; D146-S148 PolarHBondContact O-N 2.78Å; S148-K184 VanDerWaalsContact OG-CD 3.25Å; S148-K184 WeakPolarHBondContact OG-CD 3.44Å; S148-K184 PolarHBondContact OG-NZ 3.32Å; S148-K184 VanDerWaalsContact OG-NZ 3.16Å |
| 149 | G | 83.1 | Confident | 92.9 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -86.3 | -23.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G145 Q151 V152 L153 | G145-G149 PolarHBondContact O-N 3.33Å; G149-Q151 VanDerWaalsContact C-N 3.31Å; G149-Q151 PolarHBondContact O-N 3.35Å; G149-V152 WeakPolarHBondContact O-CB 3.26Å; G149-V152 PolarHBondContact O-N 3.47Å; G149-L153 WeakPolarHBondContact O-CG 3.34Å; G149-L153 PolarHBondContact O-N 3.08Å |
| 150 | G | 84.4 | Confident | 92.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -58 | -38.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G145 D146 V152 L153 G154 F172 | G145-G150 PolarHBondContact O-N 3.2Å; D146-G150 WeakPolarHBondContact O-CA 3.49Å; D146-G150 PolarHBondContact O-N 2.75Å; D146-G150 VanDerWaalsContact O-N 3.13Å; G150-V152 VanDerWaalsContact C-N 3.29Å; G150-V152 PolarHBondContact O-N 3.2Å; G150-L153 PolarHBondContact O-N 3.38Å; G150-G154 PolarHBondContact O-N 3.13Å; G150-F172 WeakPolarHBondContact O-CD1 3.1Å |
| 151 | Q | 83.4 | Confident | 92.5 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -34.5 | 177.2 | -60.6 | -54.3 | -44.7 | 0 | 0 | 113.1 | G149 R155 F172 | G149-Q151 VanDerWaalsContact C-N 3.31Å; G149-Q151 PolarHBondContact O-N 3.35Å; Q151-R155 PolarHBondContact O-N 3.49Å; Q151-R155 PolarHBondContact O-NE 2.84Å; Q151-F172 PolarHBondContact NE2-O 3.22Å |
| 152 | V | 89.8 | Confident | 92.3 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 42% | 0.418 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -74.3 | -45.5 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | G149 G150 G154 R155 I156 | G149-V152 WeakPolarHBondContact O-CB 3.26Å; G149-V152 PolarHBondContact O-N 3.47Å; G150-V152 VanDerWaalsContact C-N 3.29Å; G150-V152 PolarHBondContact O-N 3.2Å; V152-G154 VanDerWaalsContact C-N 3.33Å; V152-G154 PolarHBondContact O-N 3.03Å; V152-R155 PolarHBondContact O-N 3.42Å; V152-I156 HydrophobicContact CG1-CD1 3.88Å; V152-I156 WeakPolarHBondContact O-CG1 3.46Å; V152-I156 PolarHBondContact O-N 3.3Å |
| 153 | L | 91 | Very high | 92 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 178.2 | -66.6 | 176.9 | 0 | 0 | 0 | 112.6 | F43 G149 G150 I156 A157 F172 | F43-L153 HydrophobicContact CB-CD2 3.66Å; F43-L153 HydrophobicContact CD1-CB 4.45Å; F43-L153 HydrophobicContact CD1-CD2 3.91Å; F43-L153 HydrophobicContact CG-CD2 3.89Å; G149-L153 WeakPolarHBondContact O-CG 3.34Å; G149-L153 PolarHBondContact O-N 3.08Å; G150-L153 PolarHBondContact O-N 3.38Å; L153-I156 WeakPolarHBondContact O-CB 3.2Å; L153-I156 PolarHBondContact O-N 3Å; L153-A157 VanDerWaalsContact O-CB 3.29Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.07Å; L153-F172 HydrophobicContact CB-CE1 3.94Å; L153-F172 HydrophobicContact CB-CZ 4.28Å |
| 154 | G | 92.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | G150 V152 A157 Q158 F172 | G150-G154 PolarHBondContact O-N 3.13Å; V152-G154 VanDerWaalsContact C-N 3.33Å; V152-G154 PolarHBondContact O-N 3.03Å; G154-A157 PolarHBondContact O-N 2.88Å; G154-Q158 WeakPolarHBondContact O-CB 3.48Å; G154-Q158 PolarHBondContact O-N 3.07Å; G154-F172 VanDerWaalsContact CA-CD2 3.4Å |
| 155 | R | 93 | Very high | 91.2 | Very high | 164 Ų | 164 | 56.2 Ų | 56.2 | 62% | 0.619 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 175.2 | -72.7 | -173.6 | -70 | 160.9 | -3.2 | 112.5 | Q151 V152 K159 | Q151-R155 PolarHBondContact O-N 3.49Å; Q151-R155 PolarHBondContact O-NE 2.84Å; V152-R155 PolarHBondContact O-N 3.42Å; R155-K159 WeakPolarHBondContact O-CB 3.34Å; R155-K159 PolarHBondContact O-N 3.45Å; R155-K159 VanDerWaalsContact O-N 3.12Å |
| 156 | I | 93.9 | Very high | 90.9 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 174 | -73.7 | 171.6 | 0 | 0 | 0 | 109.8 | F43 V48 V152 L153 Q158 K159 S160 | F43-I156 HydrophobicContact CB-CG2 4.36Å; F43-I156 HydrophobicContact CD1-CG2 4.04Å; F43-I156 WeakPolarHBondContact O-CG2 3.47Å; V48-I156 HydrophobicContact CG1-CG2 4.48Å; V152-I156 HydrophobicContact CG1-CD1 3.88Å; V152-I156 WeakPolarHBondContact O-CG1 3.46Å; V152-I156 PolarHBondContact O-N 3.3Å; L153-I156 WeakPolarHBondContact O-CB 3.2Å; L153-I156 PolarHBondContact O-N 3Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-Q158 PolarHBondContact O-N 2.8Å; I156-K159 PolarHBondContact O-N 2.6Å; I156-S160 WeakPolarHBondContact O-CB 3.34Å; I156-S160 PolarHBondContact O-N 3.26Å; I156-S160 PolarHBondContact O-OG 3.11Å; I156-S160 VanDerWaalsContact O-OG 3.11Å |
| 157 | A | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.1 | -49.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F43 Y53 L153 G154 K159 S160 M161 L169 F172 | F43-A157 HydrophobicContact CE1-CB 4.13Å; Y53-A157 HydrophobicContact CE2-CB 4.47Å; L153-A157 VanDerWaalsContact O-CB 3.29Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.07Å; G154-A157 PolarHBondContact O-N 2.88Å; A157-K159 VanDerWaalsContact C-N 3.34Å; A157-K159 PolarHBondContact O-N 3.36Å; A157-S160 PolarHBondContact O-N 3.48Å; A157-M161 HydrophobicContact CB-CE 3.64Å; A157-M161 WeakPolarHBondContact O-CB 3.48Å; A157-M161 WeakPolarHBondContact O-CE 3.37Å; A157-M161 PolarHBondContact O-N 3.39Å; A157-L169 HydrophobicContact CB-CD2 3.79Å; A157-F172 HydrophobicContact CB-CE2 4.42Å |
| 158 | Q | 95 | Very high | 90.8 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -52 | -52.2 | 176.1 | -167.6 | -177.4 | 36.8 | 0 | 0 | 111.8 | G154 I156 G162 L163 G165 L169 | G154-Q158 WeakPolarHBondContact O-CB 3.48Å; G154-Q158 PolarHBondContact O-N 3.07Å; I156-Q158 VanDerWaalsContact C-N 3.34Å; I156-Q158 PolarHBondContact O-N 2.8Å; Q158-G162 PolarHBondContact O-N 2.98Å; Q158-L163 HydrophobicContact CG-CB 4.27Å; Q158-L163 PolarHBondContact O-N 3.24Å; Q158-G165 PolarHBondContact NE2-O 3.37Å; Q158-L169 HydrophobicContact CB-CD1 3.5Å; Q158-L169 VanDerWaalsContact CB-CD1 3.5Å; Q158-L169 HydrophobicContact CG-CD1 3.72Å |
| 159 | K | 94.3 | Very high | 91.2 | Very high | 182 Ų | 182 | 63.9 Ų | 63.9 | 79% | 0.791 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.1 | -47.4 | -177.1 | -175.4 | -179.7 | 177.7 | -176.4 | 0 | 112 | R155 I156 A157 M161 G162 | R155-K159 WeakPolarHBondContact O-CB 3.34Å; R155-K159 PolarHBondContact O-N 3.45Å; R155-K159 VanDerWaalsContact O-N 3.12Å; I156-K159 PolarHBondContact O-N 2.6Å; A157-K159 VanDerWaalsContact C-N 3.34Å; A157-K159 PolarHBondContact O-N 3.36Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.09Å; K159-G162 PolarHBondContact O-N 2.77Å |
| 160 | S | 93.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | -176.6 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | G46 I156 A157 | G46-S160 VanDerWaalsContact CA-OG 3.25Å; G46-S160 WeakPolarHBondContact CA-OG 3.32Å; G46-S160 PolarHBondContact O-OG 2.75Å; I156-S160 WeakPolarHBondContact O-CB 3.34Å; I156-S160 PolarHBondContact O-N 3.26Å; I156-S160 PolarHBondContact O-OG 3.11Å; I156-S160 VanDerWaalsContact O-OG 3.11Å; A157-S160 PolarHBondContact O-N 3.48Å |
| 161 | M | 93.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 63.7 Ų | 63.7 | 19% | 0.187 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -97.6 | -2.2 | -179.5 | -62.8 | 179.7 | -71.1 | 0 | 0 | 113.7 | L50 Y53 A157 K159 L163 | L50-M161 HydrophobicContact CB-CG 4.49Å; L50-M161 HydrophobicContact CB-SD 4.29Å; L50-M161 HydrophobicContact CD1-SD 3.73Å; Y53-M161 VanDerWaalsContact CB-SD 3.59Å; Y53-M161 HydrophobicContact CD1-CE 3.37Å; Y53-M161 HydrophobicContact CD1-SD 3.62Å; Y53-M161 HydrophobicContact CD2-CE 4.4Å; Y53-M161 HydrophobicContact CE1-CE 3.81Å; Y53-M161 HydrophobicContact CG-CE 3.69Å; Y53-M161 HydrophobicContact CG-SD 3.83Å; A157-M161 HydrophobicContact CB-CE 3.64Å; A157-M161 WeakPolarHBondContact O-CB 3.48Å; A157-M161 WeakPolarHBondContact O-CE 3.37Å; A157-M161 PolarHBondContact O-N 3.39Å; K159-M161 VanDerWaalsContact C-N 3.29Å; K159-M161 PolarHBondContact O-N 3.09Å; M161-L163 VanDerWaalsContact C-N 3.3Å; M161-L163 HydrophobicContact CB-CD2 4.39Å; M161-L163 HydrophobicContact CB-CG 4.02Å; M161-L163 HydrophobicContact CE-CD1 3.75Å; M161-L163 HydrophobicContact CE-CG 4.41Å; M161-L163 PolarHBondContact O-N 3.04Å |
| 162 | G | 92.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 30.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q158 K159 | Q158-G162 PolarHBondContact O-N 2.98Å; K159-G162 PolarHBondContact O-N 2.77Å |
| 163 | L | 91.7 | Very high | 93.3 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | trans | -68.5 | 138.6 | 179.4 | -60.4 | 178.5 | 0 | 0 | 0 | 110.5 | Y101 F102 Q158 M161 L169 | Y101-L163 HydrophobicContact CE1-CD2 4.18Å; F102-L163 HydrophobicContact CE1-CD2 4.15Å; F102-L163 HydrophobicContact CZ-CD1 4.11Å; F102-L163 HydrophobicContact CZ-CD2 4.37Å; Q158-L163 HydrophobicContact CG-CB 4.27Å; Q158-L163 PolarHBondContact O-N 3.24Å; M161-L163 VanDerWaalsContact C-N 3.3Å; M161-L163 HydrophobicContact CB-CD2 4.39Å; M161-L163 HydrophobicContact CB-CG 4.02Å; M161-L163 HydrophobicContact CE-CD1 3.75Å; M161-L163 HydrophobicContact CE-CG 4.41Å; M161-L163 PolarHBondContact O-N 3.04Å; L163-L169 HydrophobicContact CD1-CD1 4.05Å; L163-L169 HydrophobicContact CD1-CD2 3.96Å; L163-L169 HydrophobicContact CD1-CG 3.83Å | ||
| 164 | K | 88.3 | Confident | 93.6 | Very high | 186 Ų | 186 | 58.7 Ų | 58.7 | 81% | 0.809 | 31% | 0.314 | S | S | * | . | trans | -96.1 | 127.1 | 175.8 | -65.5 | -176.2 | -179.1 | 178.9 | 0 | 109.2 | ||||
| 165 | G | 88.3 | Confident | 93.7 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -149.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q158 | Q158-G165 PolarHBondContact NE2-O 3.37Š|
| 166 | N | 87.6 | Confident | 93.7 | Very high | 128 Ų | 128 | 57.9 Ų | 57.9 | 68% | 0.684 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 2 | -171.2 | -61.7 | -16.4 | 0 | 0 | 0 | 113.7 | L169 | N166-L169 PolarHBondContact O-N 3.45Š|
| 167 | E | 92.9 | Very high | 93.9 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 136.1 | 177.9 | -60 | -176 | 143.6 | 0 | 0 | 110.5 | Y101 L169 | Y101-E167 HydrophobicContact CD2-CB 3.64Å; Y101-E167 HydrophobicContact CE2-CB 3.44Å; Y101-E167 VanDerWaalsContact CE2-CB 3.44Å; Y101-E167 HydrophobicContact CE2-CG 4.38Å; Y101-E167 WeakPolarHBondContact CE2-OE2 3.49Å; Y101-E167 HydrophobicContact CG-CB 4.33Å; E167-L169 VanDerWaalsContact C-N 3.28Å; E167-L169 PolarHBondContact O-N 3.22Å |
| 168 | G | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 12.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y53 D98 F102 | Y53-G168 VanDerWaalsContact CE1-O 3.29Å; Y53-G168 WeakPolarHBondContact CE1-O 3.25Å; Y53-G168 PolarHBondContact OH-O 2.95Å; Y53-G168 VanDerWaalsContact OH-O 3.09Å; D98-G168 VanDerWaalsContact CG-C 3.44Å; D98-G168 VanDerWaalsContact OD1-CA 3.28Å; D98-G168 WeakPolarHBondContact OD1-CA 3.49Å; F102-G168 WeakPolarHBondContact CE2-O 3.4Å |
| 169 | L | 96.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | trans | -132.7 | 15 | 177.9 | -62.1 | 169.6 | 0 | 0 | 0 | 112.8 | Y53 D98 A157 Q158 L163 N166 E167 F171 F172 | Y53-L169 HydrophobicContact CE1-CD2 4.33Å; D98-L169 PolarHBondContact OD1-N 2.76Å; A157-L169 HydrophobicContact CB-CD2 3.79Å; Q158-L169 HydrophobicContact CB-CD1 3.5Å; Q158-L169 VanDerWaalsContact CB-CD1 3.5Å; Q158-L169 HydrophobicContact CG-CD1 3.72Å; L163-L169 HydrophobicContact CD1-CD1 4.05Å; L163-L169 HydrophobicContact CD1-CD2 3.96Å; L163-L169 HydrophobicContact CD1-CG 3.83Å; N166-L169 PolarHBondContact O-N 3.45Å; E167-L169 VanDerWaalsContact C-N 3.28Å; E167-L169 PolarHBondContact O-N 3.22Å; L169-F171 PolarHBondContact O-N 3.11Å; L169-F172 HydrophobicContact CB-CD2 4.28Å; L169-F172 HydrophobicContact CD2-CD2 4.04Å; L169-F172 HydrophobicContact CD2-CE2 3.97Å; L169-F172 PolarHBondContact O-N 3.45Å; L169-F172 VanDerWaalsContact O-N 3.09Å | ||
| 170 | S | 97.3 | Very high | 93.8 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -59.2 | -32 | -176.4 | -43.7 | 0 | 0 | 0 | 0 | 112.1 | S94 D98 F172 A173 | S94-S170 WeakPolarHBondContact CB-O 3.46Å; S94-S170 WeakPolarHBondContact O-CB 3.49Å; S94-S170 PolarHBondContact OG-O 2.86Å; D98-S170 VanDerWaalsContact CG-N 3.26Å; D98-S170 WeakPolarHBondContact OD1-CA 3.42Å; D98-S170 WeakPolarHBondContact OD1-CB 3.49Å; D98-S170 PolarHBondContact OD1-N 2.85Å; D98-S170 PolarHBondContact OD1-OG 3.48Å; D98-S170 PolarHBondContact OD2-N 2.85Å; S170-F172 PolarHBondContact O-N 2.89Å; S170-A173 WeakPolarHBondContact O-CB 3.38Å; S170-A173 PolarHBondContact O-N 3.48Å |
| 171 | F | 97.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -51.6 | -39.1 | 174.8 | 169.9 | -106.6 | 0 | 0 | 0 | 112.6 | L60 Y64 R91 I95 D98 D146 L169 A173 | L60-F171 HydrophobicContact CD1-CD1 4.19Å; L60-F171 HydrophobicContact CD1-CD2 4.49Å; L60-F171 HydrophobicContact CD1-CE1 3.84Å; L60-F171 HydrophobicContact CD1-CE2 4.16Å; L60-F171 HydrophobicContact CD1-CZ 3.83Å; Y64-F171 HydrophobicContact CD2-CE2 4.31Å; Y64-F171 AromaticContact CE2-CE2 3.64Å; Y64-F171 HydrophobicContact CE2-CE2 3.64Å; Y64-F171 HydrophobicContact CE2-CZ 4.1Å; Y64-F171 AromaticContact CZ-CE2 3.9Å; R91-F171 HydrophobicContact CB-CD2 4.15Å; R91-F171 HydrophobicContact CB-CE2 4.14Å; R91-F171 HydrophobicContact CG-CD2 4.18Å; R91-F171 HydrophobicContact CG-CE2 3.84Å; R91-F171 PolarHBondContact NH1-O 3.4Å; I95-F171 HydrophobicContact CD1-CD2 3.79Å; I95-F171 HydrophobicContact CD1-CE2 4.11Å; I95-F171 HydrophobicContact CG1-CB 4.21Å; I95-F171 HydrophobicContact CG1-CD2 3.53Å; I95-F171 HydrophobicContact CG1-CE2 4.35Å; I95-F171 HydrophobicContact CG1-CG 4.22Å; D98-F171 WeakPolarHBondContact OD2-CB 3.5Å; D98-F171 PolarHBondContact OD2-N 2.92Å; D146-F171 WeakPolarHBondContact OD1-CZ 3.32Å; L169-F171 PolarHBondContact O-N 3.11Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.2Å |
| 172 | F | 96.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -79.8 | -8.6 | -178.5 | -58.5 | -70.1 | 0 | 0 | 0 | 113.1 | Y53 G150 Q151 L153 G154 A157 L169 S170 | Y53-F172 AromaticContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CE2 3.91Å; Y53-F172 HydrophobicContact CE2-CZ 4.12Å; Y53-F172 AromaticContact CZ-CE2 3.96Å; Y53-F172 VanDerWaalsContact OH-CE2 3.29Å; Y53-F172 WeakPolarHBondContact OH-CE2 3.18Å; G150-F172 WeakPolarHBondContact O-CD1 3.1Å; Q151-F172 PolarHBondContact NE2-O 3.22Å; L153-F172 HydrophobicContact CB-CE1 3.94Å; L153-F172 HydrophobicContact CB-CZ 4.28Å; G154-F172 VanDerWaalsContact CA-CD2 3.4Å; A157-F172 HydrophobicContact CB-CE2 4.42Å; L169-F172 HydrophobicContact CB-CD2 4.28Å; L169-F172 HydrophobicContact CD2-CD2 4.04Å; L169-F172 HydrophobicContact CD2-CE2 3.97Å; L169-F172 PolarHBondContact O-N 3.45Å; L169-F172 VanDerWaalsContact O-N 3.09Å; S170-F172 PolarHBondContact O-N 2.89Å |
| 173 | A | 94.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | trans | -91.4 | 129.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R91 S170 F171 P175 | R91-A173 PolarHBondContact NH1-O 2.92Å; S170-A173 WeakPolarHBondContact O-CB 3.38Å; S170-A173 PolarHBondContact O-N 3.48Å; F171-A173 VanDerWaalsContact C-N 3.28Å; F171-A173 PolarHBondContact O-N 3.2Å; A173-P175 VanDerWaalsContact O-CD 3.32Å; A173-P175 WeakPolarHBondContact O-CD 3.47Å | ||
| 174 | F | 96.3 | Very high | 94.6 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | trans | -118 | 74.7 | 176.7 | -69.7 | -100.8 | 0 | 0 | 0 | 110.1 | E88 L89 R91 D146 L147 G176 V177 | E88-F174 WeakPolarHBondContact O-CD1 3.33Å; L89-F174 HydrophobicContact CD2-CD1 4.33Å; L89-F174 HydrophobicContact CD2-CE1 4.13Å; R91-F174 VanDerWaalsContact NH1-CG 3.35Å; D146-F174 HydrophobicContact CB-CE2 4.05Å; D146-F174 HydrophobicContact CB-CZ 3.56Å; L147-F174 HydrophobicContact CD2-CB 4.27Å; L147-F174 HydrophobicContact CD2-CD1 3.65Å; L147-F174 HydrophobicContact CD2-CD2 3.9Å; L147-F174 HydrophobicContact CD2-CE1 3.9Å; L147-F174 HydrophobicContact CD2-CE2 4.14Å; L147-F174 HydrophobicContact CD2-CG 3.67Å; L147-F174 HydrophobicContact CD2-CZ 4.15Å; L147-F174 HydrophobicContact CG-CD1 4.41Å; L147-F174 HydrophobicContact CG-CE1 4.2Å; L147-F174 HydrophobicContact CG-CZ 4.37Å; F174-G176 PolarHBondContact O-N 2.91Å; F174-V177 HydrophobicContact CB-CB 3.87Å; F174-V177 HydrophobicContact CB-CG2 4Å; F174-V177 HydrophobicContact CD1-CG2 4.31Å; F174-V177 PolarHBondContact O-N 3.06Å | ||
| 175 | P | 94.2 | Very high | 95 | Very high | 121 Ų | 121 | 55.3 Ų | 55.3 | 79% | 0.786 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.4 | -175.1 | 25.7 | -34.4 | 0 | 0 | 0 | 113.3 | A173 V177 | A173-P175 VanDerWaalsContact O-CD 3.32Å; A173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-V177 VanDerWaalsContact C-N 3.26Å; P175-V177 PolarHBondContact O-N 3.07Å |
| 176 | G | 94.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E88 F174 | E88-G176 WeakPolarHBondContact CG-O 3.37Å; F174-G176 PolarHBondContact O-N 2.91Å |
| 177 | V | 96.4 | Very high | 96 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | trans | -114.8 | 99.3 | -177.3 | -180 | 0 | 0 | 0 | 0 | 110.5 | E88 L147 F174 P175 S179 F183 | E88-V177 HydrophobicContact CB-CG2 3.86Å; L147-V177 HydrophobicContact CD2-CG1 4.26Å; L147-V177 HydrophobicContact CD2-CG2 4.43Å; F174-V177 HydrophobicContact CB-CB 3.87Å; F174-V177 HydrophobicContact CB-CG2 4Å; F174-V177 HydrophobicContact CD1-CG2 4.31Å; F174-V177 PolarHBondContact O-N 3.06Å; P175-V177 VanDerWaalsContact C-N 3.26Å; P175-V177 PolarHBondContact O-N 3.07Å; V177-S179 VanDerWaalsContact C-N 3.33Å; V177-S179 PolarHBondContact O-N 3.34Å; V177-F183 HydrophobicContact CG1-CB 3.56Å; V177-F183 HydrophobicContact CG1-CD2 4.28Å; V177-F183 HydrophobicContact CG1-CG 3.89Å; V177-F183 HydrophobicContact CG2-CD1 4.33Å; V177-F183 HydrophobicContact CG2-CD2 4.08Å; V177-F183 HydrophobicContact CG2-CE2 4.36Å; V177-F183 HydrophobicContact CG2-CG 4.06Å | ||
| 178 | S | 93.5 | Very high | 96.2 | Very high | 130 Ų | 130 | 46.3 Ų | 46.3 | 91% | 0.909 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -67.4 | -31.3 | 179.8 | -50.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 179 | S | 95.3 | Very high | 96.3 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | trans | -141.6 | 108.4 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | V177 N181 L182 F183 | V177-S179 VanDerWaalsContact C-N 3.33Å; V177-S179 PolarHBondContact O-N 3.34Å; S179-N181 PolarHBondContact O-N 2.97Å; S179-L182 PolarHBondContact O-N 3.3Å; S179-L182 PolarHBondContact OG-N 3.06Å; S179-F183 WeakPolarHBondContact O-CB 3.13Å; S179-F183 PolarHBondContact O-N 2.76Å | ||
| 180 | P | 93.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 29% | 0.286 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.7 | -36.3 | 179 | -28.6 | 35.8 | 0 | 0 | 0 | 113.3 | L147 K184 | L147-P180 HydrophobicContact CD2-CB 4.36Å; P180-K184 WeakPolarHBondContact O-CB 3.39Å; P180-K184 WeakPolarHBondContact O-CE 3.37Å; P180-K184 VanDerWaalsContact O-CG 3.25Å; P180-K184 WeakPolarHBondContact O-CG 3.5Å; P180-K184 PolarHBondContact O-N 3.18Å |
| 181 | N | 94.5 | Very high | 96.4 | Very high | 90 Ų | 90 | 53.5 Ų | 53.5 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.9 | -46.5 | -179.5 | -71.7 | -16.7 | 0 | 0 | 0 | 112.1 | S179 F183 K184 Q185 | S179-N181 PolarHBondContact O-N 2.97Å; N181-F183 VanDerWaalsContact C-N 3.31Å; N181-F183 PolarHBondContact O-N 2.89Å; N181-K184 PolarHBondContact O-N 2.91Å; N181-K184 PolarHBondContact OD1-NZ 3.13Å; N181-Q185 WeakPolarHBondContact O-CG 3.42Å; N181-Q185 PolarHBondContact O-N 3.47Å; N181-Q185 VanDerWaalsContact O-N 3.12Å |
| 182 | L | 97.3 | Very high | 96.4 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 176.8 | -66.8 | 176.6 | 0 | 0 | 0 | 111.1 | S179 Q185 L186 | S179-L182 PolarHBondContact O-N 3.3Å; S179-L182 PolarHBondContact OG-N 3.06Å; L182-Q185 PolarHBondContact O-N 3.24Å; L182-L186 PolarHBondContact O-N 2.95Å |
| 183 | F | 98 | Very high | 96.4 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | 178.7 | -163.7 | -84.8 | 0 | 0 | 0 | 112.3 | F85 E88 L89 L147 V177 S179 N181 Q185 L186 Y187 | F85-F183 HydrophobicContact CB-CZ 3.97Å; F85-F183 HydrophobicContact CD1-CE2 4.46Å; F85-F183 HydrophobicContact CD1-CZ 4.07Å; F85-F183 HydrophobicContact CD2-CZ 4.34Å; F85-F183 AromaticContact CG-CZ 3.87Å; F85-F183 HydrophobicContact CG-CZ 3.87Å; E88-F183 HydrophobicContact CB-CE2 3.65Å; E88-F183 HydrophobicContact CB-CZ 3.59Å; E88-F183 HydrophobicContact CG-CE2 3.66Å; E88-F183 HydrophobicContact CG-CZ 4.07Å; L89-F183 HydrophobicContact CD1-CE1 3.92Å; L89-F183 HydrophobicContact CD1-CZ 4.4Å; L89-F183 HydrophobicContact CD2-CD1 4.23Å; L89-F183 HydrophobicContact CD2-CE1 3.6Å; L89-F183 HydrophobicContact CD2-CZ 4.27Å; L89-F183 HydrophobicContact CG-CE1 3.78Å; L89-F183 HydrophobicContact CG-CZ 4.09Å; L147-F183 HydrophobicContact CD1-CD1 3.72Å; L147-F183 HydrophobicContact CD1-CE1 4.38Å; V177-F183 HydrophobicContact CG1-CB 3.56Å; V177-F183 HydrophobicContact CG1-CD2 4.28Å; V177-F183 HydrophobicContact CG1-CG 3.89Å; V177-F183 HydrophobicContact CG2-CD1 4.33Å; V177-F183 HydrophobicContact CG2-CD2 4.08Å; V177-F183 HydrophobicContact CG2-CE2 4.36Å; V177-F183 HydrophobicContact CG2-CG 4.06Å; S179-F183 WeakPolarHBondContact O-CB 3.13Å; S179-F183 PolarHBondContact O-N 2.76Å; N181-F183 VanDerWaalsContact C-N 3.31Å; N181-F183 PolarHBondContact O-N 2.89Å; F183-Q185 VanDerWaalsContact C-N 3.31Å; F183-Q185 PolarHBondContact O-N 3.25Å; F183-L186 HydrophobicContact CD2-CD2 4.43Å; F183-L186 HydrophobicContact CE2-CD2 4.4Å; F183-L186 WeakPolarHBondContact O-CB 3.36Å; F183-L186 PolarHBondContact O-N 2.7Å; F183-Y187 HydrophobicContact CE1-CD2 4.25Å; F183-Y187 WeakPolarHBondContact O-CB 3.34Å; F183-Y187 PolarHBondContact O-N 3.41Å |
| 184 | K | 96.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 172.6 | -75.1 | -178 | -62.1 | 176.6 | 0 | 112.3 | L144 L147 S148 P180 N181 Y187 R188 | L144-K184 HydrophobicContact CG-CG 4.24Å; L147-K184 HydrophobicContact CB-CD 4.07Å; L147-K184 HydrophobicContact CB-CG 4Å; L147-K184 HydrophobicContact CD1-CG 4.16Å; S148-K184 VanDerWaalsContact OG-CD 3.25Å; S148-K184 WeakPolarHBondContact OG-CD 3.44Å; S148-K184 PolarHBondContact OG-NZ 3.32Å; S148-K184 VanDerWaalsContact OG-NZ 3.16Å; P180-K184 WeakPolarHBondContact O-CB 3.39Å; P180-K184 WeakPolarHBondContact O-CE 3.37Å; P180-K184 VanDerWaalsContact O-CG 3.25Å; P180-K184 WeakPolarHBondContact O-CG 3.5Å; P180-K184 PolarHBondContact O-N 3.18Å; N181-K184 PolarHBondContact O-N 2.91Å; N181-K184 PolarHBondContact OD1-NZ 3.13Å; K184-Y187 PolarHBondContact O-N 3.3Å; K184-R188 WeakPolarHBondContact O-CG 3.24Å; K184-R188 PolarHBondContact O-N 3.24Å |
| 185 | Q | 97.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 63.1 Ų | 63.1 | 49% | 0.486 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 175 | -70.8 | 173.3 | 4.6 | 0 | 0 | 111.4 | N181 L182 F183 Y187 R188 S189 | N181-Q185 WeakPolarHBondContact O-CG 3.42Å; N181-Q185 PolarHBondContact O-N 3.47Å; N181-Q185 VanDerWaalsContact O-N 3.12Å; L182-Q185 PolarHBondContact O-N 3.24Å; F183-Q185 VanDerWaalsContact C-N 3.31Å; F183-Q185 PolarHBondContact O-N 3.25Å; Q185-Y187 PolarHBondContact O-N 2.87Å; Q185-R188 PolarHBondContact O-N 2.88Å; Q185-S189 PolarHBondContact O-N 3.43Å |
| 186 | L | 98.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 173.4 | 172.6 | 63.7 | 0 | 0 | 0 | 111.1 | L182 F183 R188 S189 R190 | L182-L186 PolarHBondContact O-N 2.95Å; F183-L186 HydrophobicContact CD2-CD2 4.43Å; F183-L186 HydrophobicContact CE2-CD2 4.4Å; F183-L186 WeakPolarHBondContact O-CB 3.36Å; F183-L186 PolarHBondContact O-N 2.7Å; L186-R188 PolarHBondContact O-N 3.22Å; L186-S189 WeakPolarHBondContact O-CB 3.47Å; L186-S189 PolarHBondContact O-N 3.31Å; L186-R190 HydrophobicContact CD1-CG 4.1Å; L186-R190 HydrophobicContact CG-CG 4.44Å; L186-R190 VanDerWaalsContact O-CG 3.27Å; L186-R190 WeakPolarHBondContact O-CG 3.42Å; L186-R190 PolarHBondContact O-N 3.39Å |
| 187 | Y | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | -178.1 | -166.9 | -80.7 | 0 | 0 | 0 | 111.9 | I83 F85 L89 A139 L144 F183 K184 Q185 R190 M191 | I83-Y187 HydrophobicContact CB-CE1 4.42Å; I83-Y187 HydrophobicContact CB-CE2 4.08Å; I83-Y187 HydrophobicContact CG2-CE1 4.25Å; F85-Y187 AromaticContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CD2 3.94Å; F85-Y187 HydrophobicContact CD2-CE2 4.13Å; F85-Y187 HydrophobicContact CE2-CD2 4.22Å; L89-Y187 HydrophobicContact CD1-CD2 3.78Å; L89-Y187 HydrophobicContact CD1-CE2 3.47Å; L89-Y187 VanDerWaalsContact CD1-CE2 3.47Å; A139-Y187 VanDerWaalsContact CB-OH 3.25Å; A139-Y187 WeakPolarHBondContact CB-OH 3.37Å; L144-Y187 HydrophobicContact CD1-CD1 3.53Å; L144-Y187 HydrophobicContact CD1-CD2 4.29Å; L144-Y187 HydrophobicContact CD1-CE1 3.98Å; L144-Y187 HydrophobicContact CD1-CG 3.7Å; L144-Y187 HydrophobicContact CD2-CD1 3.8Å; L144-Y187 HydrophobicContact CD2-CE1 4.26Å; L144-Y187 HydrophobicContact CG-CD1 4.34Å; F183-Y187 HydrophobicContact CE1-CD2 4.25Å; F183-Y187 WeakPolarHBondContact O-CB 3.34Å; F183-Y187 PolarHBondContact O-N 3.41Å; K184-Y187 PolarHBondContact O-N 3.3Å; Q185-Y187 PolarHBondContact O-N 2.87Å; Y187-R190 PolarHBondContact O-N 3.02Å; Y187-M191 WeakPolarHBondContact O-CB 3.17Å; Y187-M191 PolarHBondContact O-N 3.01Å |
| 188 | R | 98.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.8 | -72.2 | 178.3 | -172.3 | 128.6 | -1.9 | 111.9 | L144 K184 Q185 L186 R190 M191 N192 | L144-R188 HydrophobicContact CD2-CG 4.34Å; K184-R188 WeakPolarHBondContact O-CG 3.24Å; K184-R188 PolarHBondContact O-N 3.24Å; Q185-R188 PolarHBondContact O-N 2.88Å; L186-R188 PolarHBondContact O-N 3.22Å; R188-R190 VanDerWaalsContact C-N 3.3Å; R188-R190 PolarHBondContact O-N 3.37Å; R188-M191 PolarHBondContact O-N 3.2Å; R188-N192 PolarHBondContact O-N 3.32Å; R188-N192 PolarHBondContact O-ND2 2.83Å; R188-N192 PolarHBondContact O-OD1 3.47Å |
| 189 | S | 97.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 53% | 0.531 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 176 | 173.7 | 0 | 0 | 0 | 0 | 112 | Q185 L186 N192 S193 | Q185-S189 PolarHBondContact O-N 3.43Å; L186-S189 WeakPolarHBondContact O-CB 3.47Å; L186-S189 PolarHBondContact O-N 3.31Å; S189-N192 PolarHBondContact O-N 2.83Å; S189-S193 PolarHBondContact O-N 3.18Å |
| 190 | R | 98.3 | Very high | 96.6 | Very high | 119 Ų | 119 | 71 Ų | 71 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 175.8 | -68.1 | -72.2 | -179.3 | 176 | 3.4 | 112.4 | P82 I83 F85 L186 Y187 R188 N192 S193 | P82-R190 HydrophobicContact CB-CB 4.5Å; P82-R190 VanDerWaalsContact O-CB 3.24Å; P82-R190 WeakPolarHBondContact O-CB 3.49Å; I83-R190 HydrophobicContact CG2-CB 4.49Å; F85-R190 HydrophobicContact CE2-CB 4.47Å; F85-R190 HydrophobicContact CE2-CG 4.2Å; F85-R190 HydrophobicContact CZ-CG 3.94Å; L186-R190 HydrophobicContact CD1-CG 4.1Å; L186-R190 HydrophobicContact CG-CG 4.44Å; L186-R190 VanDerWaalsContact O-CG 3.27Å; L186-R190 WeakPolarHBondContact O-CG 3.42Å; L186-R190 PolarHBondContact O-N 3.39Å; Y187-R190 PolarHBondContact O-N 3.02Å; R188-R190 VanDerWaalsContact C-N 3.3Å; R188-R190 PolarHBondContact O-N 3.37Å; R190-N192 VanDerWaalsContact C-N 3.29Å; R190-N192 PolarHBondContact O-N 3.44Å; R190-S193 WeakPolarHBondContact O-CB 3.4Å; R190-S193 PolarHBondContact O-N 3.37Å; R190-S193 VanDerWaalsContact O-N 3.09Å; R190-S193 PolarHBondContact O-OG 3.19Å |
| 191 | M | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 174.3 | -175.9 | 170 | 65.4 | 0 | 0 | 112.4 | L19 I23 I83 V136 Y140 Y187 R188 S193 V194 | L19-M191 HydrophobicContact CB-CG 4.44Å; L19-M191 HydrophobicContact CD2-CG 3.81Å; L19-M191 HydrophobicContact CG-CG 4.18Å; I23-M191 HydrophobicContact CD1-CE 4.41Å; I23-M191 HydrophobicContact CD1-SD 3.93Å; I83-M191 HydrophobicContact CG2-CB 4.02Å; V136-M191 HydrophobicContact CG2-CG 3.58Å; V136-M191 HydrophobicContact CG2-SD 3.71Å; Y140-M191 HydrophobicContact CD2-CE 3.42Å; Y140-M191 VanDerWaalsContact CD2-CE 3.42Å; Y140-M191 HydrophobicContact CD2-SD 3.69Å; Y140-M191 HydrophobicContact CE2-CE 3.74Å; Y140-M191 HydrophobicContact CG-CE 4.4Å; Y140-M191 HydrophobicContact CG-SD 4.21Å; Y187-M191 WeakPolarHBondContact O-CB 3.17Å; Y187-M191 PolarHBondContact O-N 3.01Å; R188-M191 PolarHBondContact O-N 3.2Å; M191-S193 PolarHBondContact O-N 3.26Å; M191-V194 WeakPolarHBondContact O-CB 3.39Å; M191-V194 WeakPolarHBondContact O-CG2 3.38Å; M191-V194 PolarHBondContact O-N 3.29Å; M191-V194 VanDerWaalsContact O-N 3.15Å |
| 192 | N | 97.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 71 Ų | 71 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69 | -18.5 | 177.1 | -64.5 | -13.9 | 0 | 0 | 0 | 112.9 | D18 L19 S20 R188 S189 R190 V194 | D18-N192 WeakPolarHBondContact CB-ND2 3.24Å; D18-N192 PolarHBondContact OD1-ND2 2.94Å; D18-N192 PolarHBondContact OD2-ND2 3.3Å; L19-N192 PolarHBondContact N-OD1 3.27Å; S20-N192 WeakPolarHBondContact CB-OD1 3.39Å; S20-N192 PolarHBondContact N-OD1 3.12Å; S20-N192 PolarHBondContact OG-ND2 3.32Å; S20-N192 VanDerWaalsContact OG-ND2 3.12Å; S20-N192 PolarHBondContact OG-OD1 3.19Å; S20-N192 VanDerWaalsContact OG-OD1 3.14Å; R188-N192 PolarHBondContact O-N 3.32Å; R188-N192 PolarHBondContact O-ND2 2.83Å; R188-N192 PolarHBondContact O-OD1 3.47Å; S189-N192 PolarHBondContact O-N 2.83Å; R190-N192 VanDerWaalsContact C-N 3.29Å; R190-N192 PolarHBondContact O-N 3.44Å; N192-V194 VanDerWaalsContact C-N 3.31Å |
| 193 | S | 96.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.6 | 173.5 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | S189 R190 M191 E195 | S189-S193 PolarHBondContact O-N 3.18Å; R190-S193 WeakPolarHBondContact O-CB 3.4Å; R190-S193 PolarHBondContact O-N 3.37Å; R190-S193 VanDerWaalsContact O-N 3.09Å; R190-S193 PolarHBondContact O-OG 3.19Å; M191-S193 PolarHBondContact O-N 3.26Å; S193-E195 PolarHBondContact O-N 3.24Å |
| 194 | V | 95.9 | Very high | 97 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | trans | -70.9 | 116.8 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | P82 M191 N192 L196 | P82-V194 HydrophobicContact CB-CG2 4.09Å; P82-V194 HydrophobicContact CG-CG2 3.97Å; M191-V194 WeakPolarHBondContact O-CB 3.39Å; M191-V194 WeakPolarHBondContact O-CG2 3.38Å; M191-V194 PolarHBondContact O-N 3.29Å; M191-V194 VanDerWaalsContact O-N 3.15Å; N192-V194 VanDerWaalsContact C-N 3.31Å; V194-L196 HydrophobicContact CG1-CD1 4.48Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 3.93Å; V194-L196 PolarHBondContact O-N 3.3Å | ||
| 195 | E | 93.5 | Very high | 97 | Very high | 182 Ų | 182 | 65.7 Ų | 65.7 | 85% | 0.85 | 33% | 0.33 | S | S | * | . | trans | -77.4 | 119.3 | 175.7 | -63.1 | -174.5 | 168.9 | 0 | 0 | 109.8 | S193 | S193-E195 PolarHBondContact O-N 3.24Š| ||
| 196 | L | 95.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | trans | -131.3 | 140.6 | 179.7 | -60.1 | 174.4 | 0 | 0 | 0 | 109.2 | L19 A133 V194 E200 R201 V204 | L19-L196 HydrophobicContact CD1-CD1 4.41Å; L19-L196 HydrophobicContact CD2-CD1 3.88Å; A133-L196 HydrophobicContact CB-CD2 3.95Å; V194-L196 HydrophobicContact CG1-CD1 4.48Å; V194-L196 HydrophobicContact CG1-CD2 3.79Å; V194-L196 HydrophobicContact CG1-CG 3.93Å; V194-L196 PolarHBondContact O-N 3.3Å; L196-E200 HydrophobicContact CB-CB 4.15Å; L196-E200 HydrophobicContact CD2-CB 4.1Å; L196-R201 HydrophobicContact CB-CB 4.22Å; L196-R201 HydrophobicContact CD1-CB 4.33Å; L196-V204 HydrophobicContact CD1-CG2 4.03Å | ||
| 197 | T | 95.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | trans | -62.1 | 164.5 | 160.8 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | E199 E200 R201 | T197-E199 VanDerWaalsContact C-N 3.27Å; T197-E199 PolarHBondContact O-N 3.24Å; T197-E200 WeakPolarHBondContact CB-OE2 3.25Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.43Å; T197-E200 PolarHBondContact N-OE2 3.32Å; T197-E200 PolarHBondContact O-N 2.89Å; T197-E200 WeakPolarHBondContact OG1-CB 3.42Å; T197-E200 VanDerWaalsContact OG1-CG 3.24Å; T197-E200 WeakPolarHBondContact OG1-CG 3.35Å; T197-E200 PolarHBondContact OG1-N 2.95Å; T197-E200 PolarHBondContact OG1-OE2 3.48Å; T197-R201 VanDerWaalsContact O-CB 3.29Å; T197-R201 WeakPolarHBondContact O-CB 3.41Å; T197-R201 PolarHBondContact O-N 3.49Å | ||
| 198 | E | 94.9 | Very high | 97.1 | Very high | 156 Ų | 156 | 62.5 Ų | 62.5 | 73% | 0.729 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.4 | -38.4 | 176.8 | -170.1 | 177.5 | 174.5 | 0 | 0 | 111.9 | R201 N202 | E198-R201 PolarHBondContact O-N 2.81Å; E198-N202 VanDerWaalsContact O-CG 3.28Å; E198-N202 PolarHBondContact O-N 3.29Å; E198-N202 PolarHBondContact O-ND2 3.42Å |
| 199 | E | 96.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 62.7 Ų | 62.7 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.6 | -49.8 | 176.6 | -175.9 | 174.4 | -173.1 | 0 | 0 | 111.8 | T197 R201 N202 G203 | T197-E199 VanDerWaalsContact C-N 3.27Å; T197-E199 PolarHBondContact O-N 3.24Å; E199-R201 VanDerWaalsContact C-N 3.3Å; E199-R201 PolarHBondContact O-N 3.41Å; E199-N202 PolarHBondContact O-N 3.42Å; E199-G203 PolarHBondContact O-N 2.82Å |
| 200 | E | 96.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 34% | 0.341 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.1 | -71.3 | 165.9 | 130.8 | 0 | 0 | 111.7 | L196 T197 G203 V204 | L196-E200 HydrophobicContact CB-CB 4.15Å; L196-E200 HydrophobicContact CD2-CB 4.1Å; T197-E200 WeakPolarHBondContact CB-OE2 3.25Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.43Å; T197-E200 PolarHBondContact N-OE2 3.32Å; T197-E200 PolarHBondContact O-N 2.89Å; T197-E200 WeakPolarHBondContact OG1-CB 3.42Å; T197-E200 VanDerWaalsContact OG1-CG 3.24Å; T197-E200 WeakPolarHBondContact OG1-CG 3.35Å; T197-E200 PolarHBondContact OG1-N 2.95Å; T197-E200 PolarHBondContact OG1-OE2 3.48Å; E200-G203 PolarHBondContact O-N 3.2Å; E200-V204 VanDerWaalsContact O-CG2 3.32Å; E200-V204 WeakPolarHBondContact O-CG2 3.39Å; E200-V204 PolarHBondContact O-N 3.41Å |
| 201 | R | 97.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 177 | 178.9 | 177.2 | -64.8 | -90.1 | -3.6 | 111.3 | R17 L196 T197 E198 E199 G203 V204 L205 | R17-R201 PolarHBondContact O-NH1 2.95Å; L196-R201 HydrophobicContact CB-CB 4.22Å; L196-R201 HydrophobicContact CD1-CB 4.33Å; T197-R201 VanDerWaalsContact O-CB 3.29Å; T197-R201 WeakPolarHBondContact O-CB 3.41Å; T197-R201 PolarHBondContact O-N 3.49Å; E198-R201 PolarHBondContact O-N 2.81Å; E199-R201 VanDerWaalsContact C-N 3.3Å; E199-R201 PolarHBondContact O-N 3.41Å; R201-G203 VanDerWaalsContact C-N 3.28Å; R201-G203 PolarHBondContact O-N 3.37Å; R201-V204 PolarHBondContact O-N 3.3Å; R201-L205 WeakPolarHBondContact O-CG 3.24Å; R201-L205 PolarHBondContact O-N 3.47Å |
| 202 | N | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 177 | -70.2 | -25.9 | 0 | 0 | 0 | 111.1 | E198 E199 V204 L205 E206 | E198-N202 VanDerWaalsContact O-CG 3.28Å; E198-N202 PolarHBondContact O-N 3.29Å; E198-N202 PolarHBondContact O-ND2 3.42Å; E199-N202 PolarHBondContact O-N 3.42Å; N202-V204 PolarHBondContact O-N 3.01Å; N202-L205 PolarHBondContact O-N 2.93Å; N202-E206 PolarHBondContact O-N 2.76Å |
| 203 | G | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E199 E200 R201 E206 E207 | E199-G203 PolarHBondContact O-N 2.82Å; E200-G203 PolarHBondContact O-N 3.2Å; R201-G203 VanDerWaalsContact C-N 3.28Å; R201-G203 PolarHBondContact O-N 3.37Å; G203-E206 PolarHBondContact O-N 3.16Å; G203-E207 WeakPolarHBondContact O-CB 3.45Å; G203-E207 PolarHBondContact O-N 2.89Å |
| 204 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | L19 I23 F134 V136 A137 L196 E200 R201 N202 E207 A208 | L19-V204 HydrophobicContact CD1-CG1 3.98Å; L19-V204 HydrophobicContact CD2-CG1 4.36Å; I23-V204 HydrophobicContact CD1-CG1 4.06Å; F134-V204 HydrophobicContact CD1-CG2 3.56Å; F134-V204 HydrophobicContact CE1-CG2 3.99Å; F134-V204 HydrophobicContact CG-CG2 4.34Å; V136-V204 HydrophobicContact CG1-CG1 3.53Å; V136-V204 HydrophobicContact CG1-CG2 4.08Å; A137-V204 HydrophobicContact CB-CG1 4.28Å; L196-V204 HydrophobicContact CD1-CG2 4.03Å; E200-V204 VanDerWaalsContact O-CG2 3.32Å; E200-V204 WeakPolarHBondContact O-CG2 3.39Å; E200-V204 PolarHBondContact O-N 3.41Å; R201-V204 PolarHBondContact O-N 3.3Å; N202-V204 PolarHBondContact O-N 3.01Å; V204-E207 PolarHBondContact O-N 3.46Å; V204-A208 WeakPolarHBondContact O-CB 3.37Å; V204-A208 PolarHBondContact O-N 3.39Å |
| 205 | L | 98.4 | Very high | 97.5 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.6 | -66 | -179.7 | 0 | 0 | 0 | 111.6 | L19 Q22 I23 V26 R201 N202 A208 V209 | L19-L205 HydrophobicContact CD1-CD2 4.19Å; Q22-L205 HydrophobicContact CB-CD1 4.28Å; Q22-L205 HydrophobicContact CB-CD2 3.66Å; I23-L205 HydrophobicContact CB-CD2 4.47Å; I23-L205 HydrophobicContact CG1-CD2 3.69Å; V26-L205 HydrophobicContact CG2-CB 4.24Å; V26-L205 HydrophobicContact CG2-CD2 4.14Å; R201-L205 WeakPolarHBondContact O-CG 3.24Å; R201-L205 PolarHBondContact O-N 3.47Å; N202-L205 PolarHBondContact O-N 2.93Å; L205-A208 PolarHBondContact O-N 2.95Å; L205-V209 PolarHBondContact O-N 3.42Å |
| 206 | E | 98.6 | Very high | 97.7 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 173 | -71.4 | -176.5 | -167.1 | 0 | 0 | 111.8 | N202 G203 A208 V209 R210 | N202-E206 PolarHBondContact O-N 2.76Å; G203-E206 PolarHBondContact O-N 3.16Å; E206-A208 VanDerWaalsContact C-N 3.27Å; E206-A208 PolarHBondContact O-N 2.91Å; E206-V209 PolarHBondContact O-N 3.25Å; E206-R210 WeakPolarHBondContact O-CG 3.44Å; E206-R210 PolarHBondContact O-N 3.43Å; E206-R210 IonicContact OE2-CZ 3.5Å; E206-R210 IonicContact OE2-NH2 3.32Å; E206-R210 PolarHBondContact OE2-NH2 3.47Å |
| 207 | E | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 179.5 | -162.1 | 66.1 | -155.3 | 0 | 0 | 111.6 | R123 F134 A137 H138 G203 V204 V209 R210 A211 | R123-E207 WeakPolarHBondContact CG-OE1 3.04Å; R123-E207 IonicContact CZ-OE1 2.87Å; R123-E207 IonicContact CZ-OE2 3.51Å; R123-E207 IonicContact NE-OE1 3.93Å; R123-E207 PolarHBondContact NE-OE1 2.98Å; R123-E207 IonicContact NE-OE2 3.26Å; R123-E207 PolarHBondContact NE-OE2 3.41Å; R123-E207 IonicContact NH2-OE1 2.65Å; R123-E207 IonicContact NH2-OE2 2.88Å; R123-E207 PolarHBondContact NH2-OE2 2.9Å; F134-E207 HydrophobicContact CB-CB 4.5Å; F134-E207 HydrophobicContact CB-CG 4.28Å; F134-E207 HydrophobicContact CD2-CB 4.16Å; F134-E207 HydrophobicContact CD2-CG 4.33Å; A137-E207 HydrophobicContact CB-CB 4.06Å; A137-E207 HydrophobicContact CB-CG 4.31Å; H138-E207 IonicContact CE1-OE1 2.6Å; H138-E207 WeakPolarHBondContact NE2-CG 3.29Å; H138-E207 IonicContact NE2-OE1 3.5Å; H138-E207 PolarHBondContact NE2-OE1 3.46Å; H138-E207 VanDerWaalsContact NE2-OE1 3.16Å; G203-E207 WeakPolarHBondContact O-CB 3.45Å; G203-E207 PolarHBondContact O-N 2.89Å; V204-E207 PolarHBondContact O-N 3.46Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 3.09Å; E207-R210 CarbonylContact O-C 3.39Å; E207-R210 WeakPolarHBondContact O-CB 3.25Å; E207-R210 PolarHBondContact O-N 3.49Å; E207-R210 WeakPolarHBondContact OE2-CD 3.35Å; E207-R210 IonicContact OE2-CZ 3.39Å; E207-R210 IonicContact OE2-NE 3.07Å; E207-R210 IonicContact OE2-NH1 2.8Å; E207-R210 PolarHBondContact OE2-NH1 3.21Å; E207-A211 WeakPolarHBondContact O-CB 3.26Å; E207-A211 PolarHBondContact O-N 3.41Å |
| 208 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I23 T27 A137 V204 L205 E206 A211 F212 | I23-A208 HydrophobicContact CG1-CB 4.24Å; I23-A208 HydrophobicContact CG2-CB 3.8Å; T27-A208 HydrophobicContact CG2-CB 3.74Å; A137-A208 HydrophobicContact CB-CB 3.95Å; V204-A208 WeakPolarHBondContact O-CB 3.37Å; V204-A208 PolarHBondContact O-N 3.39Å; L205-A208 PolarHBondContact O-N 2.95Å; E206-A208 VanDerWaalsContact C-N 3.27Å; E206-A208 PolarHBondContact O-N 2.91Å; A208-A211 WeakPolarHBondContact O-CB 3.35Å; A208-A211 PolarHBondContact O-N 3.27Å; A208-F212 WeakPolarHBondContact O-CD2 3.33Å; A208-F212 PolarHBondContact O-N 3.22Å |
| 209 | V | 98.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | V26 T27 L205 E206 E207 A211 F212 E213 | V26-V209 HydrophobicContact CB-CG2 4.28Å; V26-V209 HydrophobicContact CG2-CG2 4.13Å; T27-V209 HydrophobicContact CG2-CG2 4.43Å; L205-V209 PolarHBondContact O-N 3.42Å; E206-V209 PolarHBondContact O-N 3.25Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-V209 PolarHBondContact O-N 3.09Å; V209-A211 VanDerWaalsContact C-N 3.29Å; V209-A211 PolarHBondContact O-N 3.47Å; V209-F212 PolarHBondContact O-N 3.18Å; V209-F212 VanDerWaalsContact O-N 3.13Å; V209-E213 PolarHBondContact O-N 3.38Å |
| 210 | R | 98.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 37 Ų | 37 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60 | -38 | 176.5 | -65.3 | 175 | -154.2 | 164.6 | 0.2 | 112.2 | E206 E207 F212 E213 F214 | E206-R210 WeakPolarHBondContact O-CG 3.44Å; E206-R210 PolarHBondContact O-N 3.43Å; E206-R210 IonicContact OE2-CZ 3.5Å; E206-R210 IonicContact OE2-NH2 3.32Å; E206-R210 PolarHBondContact OE2-NH2 3.47Å; E207-R210 CarbonylContact O-C 3.39Å; E207-R210 WeakPolarHBondContact O-CB 3.25Å; E207-R210 PolarHBondContact O-N 3.49Å; E207-R210 WeakPolarHBondContact OE2-CD 3.35Å; E207-R210 IonicContact OE2-CZ 3.39Å; E207-R210 IonicContact OE2-NE 3.07Å; E207-R210 IonicContact OE2-NH1 2.8Å; E207-R210 PolarHBondContact OE2-NH1 3.21Å; R210-F212 VanDerWaalsContact C-N 3.3Å; R210-F212 PolarHBondContact O-N 3.47Å; R210-E213 WeakPolarHBondContact O-CB 3.47Å; R210-E213 PolarHBondContact O-N 2.62Å; R210-E213 VanDerWaalsContact O-N 3.08Å; R210-F214 HydrophobicContact CB-CE2 4.25Å; R210-F214 WeakPolarHBondContact O-CD2 3.47Å; R210-F214 PolarHBondContact O-N 2.9Å |
| 211 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | H138 T141 E207 A208 V209 F214 N215 | H138-A211 WeakPolarHBondContact ND1-CB 3.5Å; T141-A211 HydrophobicContact CG2-CB 4.06Å; E207-A211 WeakPolarHBondContact O-CB 3.26Å; E207-A211 PolarHBondContact O-N 3.41Å; A208-A211 WeakPolarHBondContact O-CB 3.35Å; A208-A211 PolarHBondContact O-N 3.27Å; V209-A211 VanDerWaalsContact C-N 3.29Å; V209-A211 PolarHBondContact O-N 3.47Å; A211-F214 PolarHBondContact O-N 3.15Å; A211-N215 PolarHBondContact O-N 3.3Å; A211-N215 PolarHBondContact O-ND2 3.44Å |
| 212 | F | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 172.3 | -83.5 | -91.5 | 0 | 0 | 0 | 112.3 | T27 S30 H31 A34 T141 A208 V209 R210 F214 N215 I216 | T27-F212 HydrophobicContact CG2-CD2 3.74Å; T27-F212 HydrophobicContact CG2-CE2 3.74Å; S30-F212 VanDerWaalsContact CB-CB 3.48Å; H31-F212 HydrophobicContact CB-CD1 4.34Å; H31-F212 HydrophobicContact CB-CE1 3.73Å; H31-F212 HydrophobicContact CB-CZ 4.13Å; H31-F212 AromaticContact CD2-CE1 3.78Å; H31-F212 AromaticContact CD2-CZ 3.95Å; A34-F212 HydrophobicContact CB-CD1 4.14Å; T141-F212 HydrophobicContact CG2-CD2 3.75Å; T141-F212 HydrophobicContact CG2-CE1 4.44Å; T141-F212 HydrophobicContact CG2-CE2 3.63Å; T141-F212 HydrophobicContact CG2-CG 4.21Å; T141-F212 HydrophobicContact CG2-CZ 4Å; A208-F212 WeakPolarHBondContact O-CD2 3.33Å; A208-F212 PolarHBondContact O-N 3.22Å; V209-F212 PolarHBondContact O-N 3.18Å; V209-F212 VanDerWaalsContact O-N 3.13Å; R210-F212 VanDerWaalsContact C-N 3.3Å; R210-F212 PolarHBondContact O-N 3.47Å; F212-F214 VanDerWaalsContact C-N 3.31Å; F212-F214 PolarHBondContact O-N 3.39Å; F212-N215 WeakPolarHBondContact O-CB 3.39Å; F212-N215 PolarHBondContact O-N 2.91Å; F212-N215 VanDerWaalsContact O-N 3.12Å; F212-I216 WeakPolarHBondContact O-CG1 3.27Å; F212-I216 PolarHBondContact O-N 3.19Å |
| 213 | E | 98.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 30 Ų | 30 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 176 | -61.1 | -40.3 | 117.9 | 0 | 0 | 112.6 | S30 R33 V209 R210 N215 I216 Q217 | S30-E213 WeakPolarHBondContact CB-OE1 3.23Å; S30-E213 PolarHBondContact OG-OE1 3.09Å; R33-E213 IonicContact CZ-OE1 3.12Å; R33-E213 IonicContact CZ-OE2 3.67Å; R33-E213 IonicContact NH1-OE1 3.84Å; R33-E213 IonicContact NH1-OE2 3.27Å; R33-E213 PolarHBondContact NH1-OE2 3.4Å; R33-E213 IonicContact NH2-OE1 3.19Å; R33-E213 PolarHBondContact NH2-OE1 3.28Å; R33-E213 IonicContact NH2-OE2 3.97Å; R33-E213 PolarHBondContact NH2-OE2 3.32Å; R33-E213 VanDerWaalsContact NH2-OE2 3.07Å; V209-E213 PolarHBondContact O-N 3.38Å; R210-E213 WeakPolarHBondContact O-CB 3.47Å; R210-E213 PolarHBondContact O-N 2.62Å; R210-E213 VanDerWaalsContact O-N 3.08Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 3.38Å; E213-I216 PolarHBondContact O-N 2.98Å; E213-Q217 WeakPolarHBondContact O-CB 3.48Å; E213-Q217 VanDerWaalsContact O-CG 3.27Å; E213-Q217 WeakPolarHBondContact O-CG 3.48Å; E213-Q217 PolarHBondContact O-N 3.41Å |
| 214 | F | 98.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 174.6 | -75.9 | -63.7 | 0 | 0 | 0 | 112 | Y120 R123 R210 A211 F212 Q217 V218 | Y120-F214 HydrophobicContact CD1-CB 3.54Å; Y120-F214 HydrophobicContact CD1-CG 4.37Å; Y120-F214 HydrophobicContact CD2-CB 3.78Å; Y120-F214 HydrophobicContact CD2-CD1 4.36Å; Y120-F214 AromaticContact CD2-CD2 3.95Å; Y120-F214 HydrophobicContact CD2-CD2 3.95Å; Y120-F214 AromaticContact CD2-CG 3.79Å; Y120-F214 HydrophobicContact CD2-CG 3.79Å; Y120-F214 HydrophobicContact CE1-CB 3.78Å; Y120-F214 HydrophobicContact CE2-CB 4.08Å; Y120-F214 HydrophobicContact CE2-CD2 4.17Å; Y120-F214 HydrophobicContact CE2-CG 4.29Å; Y120-F214 HydrophobicContact CG-CB 3.53Å; Y120-F214 HydrophobicContact CG-CD1 4.23Å; Y120-F214 HydrophobicContact CG-CD2 4.48Å; Y120-F214 AromaticContact CG-CG 3.86Å; Y120-F214 HydrophobicContact CG-CG 3.86Å; R123-F214 HydrophobicContact CB-CE1 4.45Å; R123-F214 HydrophobicContact CB-CE2 3.94Å; R123-F214 HydrophobicContact CB-CZ 3.71Å; R123-F214 HydrophobicContact CG-CE2 3.68Å; R123-F214 HydrophobicContact CG-CZ 3.84Å; R210-F214 HydrophobicContact CB-CE2 4.25Å; R210-F214 WeakPolarHBondContact O-CD2 3.47Å; R210-F214 PolarHBondContact O-N 2.9Å; A211-F214 PolarHBondContact O-N 3.15Å; F212-F214 VanDerWaalsContact C-N 3.31Å; F212-F214 PolarHBondContact O-N 3.39Å; F214-Q217 PolarHBondContact O-N 3.39Å; F214-V218 WeakPolarHBondContact O-CB 3.41Å; F214-V218 VanDerWaalsContact O-CG2 3.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.32Å; F214-V218 PolarHBondContact O-N 2.93Å |
| 215 | N | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.8 | -77.9 | -83.6 | 0 | 0 | 0 | 111.6 | R142 A211 F212 E213 V218 F219 | R142-N215 PolarHBondContact NH1-OD1 3.25Å; A211-N215 PolarHBondContact O-N 3.3Å; A211-N215 PolarHBondContact O-ND2 3.44Å; F212-N215 WeakPolarHBondContact O-CB 3.39Å; F212-N215 PolarHBondContact O-N 2.91Å; F212-N215 VanDerWaalsContact O-N 3.12Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 3.38Å; N215-V218 PolarHBondContact O-N 3.28Å; N215-F219 HydrophobicContact CB-CE2 4.37Å; N215-F219 HydrophobicContact CB-CZ 4.45Å; N215-F219 WeakPolarHBondContact O-CD2 3.43Å; N215-F219 VanDerWaalsContact O-CG 3.22Å; N215-F219 WeakPolarHBondContact O-CG 3.42Å; N215-F219 PolarHBondContact O-N 2.87Å |
| 216 | I | 98.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.072 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 176.1 | -69.1 | 164.3 | 0 | 0 | 0 | 110.4 | R33 A34 T37 F212 E213 V218 F219 D220 | R33-I216 HydrophobicContact CB-CD1 3.86Å; A34-I216 HydrophobicContact CB-CD1 4.26Å; A34-I216 HydrophobicContact CB-CG1 3.84Å; T37-I216 HydrophobicContact CG2-CB 4.49Å; T37-I216 HydrophobicContact CG2-CG1 4.31Å; T37-I216 HydrophobicContact CG2-CG2 4.09Å; F212-I216 WeakPolarHBondContact O-CG1 3.27Å; F212-I216 PolarHBondContact O-N 3.19Å; E213-I216 PolarHBondContact O-N 2.98Å; I216-V218 VanDerWaalsContact C-N 3.27Å; I216-V218 PolarHBondContact O-N 3.12Å; I216-F219 PolarHBondContact O-N 3.2Å; I216-F219 VanDerWaalsContact O-N 3.08Å; I216-D220 PolarHBondContact O-N 3.14Å |
| 217 | Q | 98.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 34 Ų | 34 | 34% | 0.336 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 178.2 | -72.4 | 173.4 | 41.4 | 0 | 0 | 112.2 | A116 E213 F214 D221 | A116-Q217 HydrophobicContact CB-CB 4.19Å; A116-Q217 WeakPolarHBondContact CB-O 3.49Å; E213-Q217 WeakPolarHBondContact O-CB 3.48Å; E213-Q217 VanDerWaalsContact O-CG 3.27Å; E213-Q217 WeakPolarHBondContact O-CG 3.48Å; E213-Q217 PolarHBondContact O-N 3.41Å; F214-Q217 PolarHBondContact O-N 3.39Å; Q217-D221 VanDerWaalsContact O-CB 3.25Å; Q217-D221 WeakPolarHBondContact O-CB 3.28Å; Q217-D221 PolarHBondContact O-N 3.01Å |
| 218 | V | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 175 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | I63 A116 Y120 F214 N215 I216 D220 D221 L222 | I63-V218 HydrophobicContact CD1-CG2 4.31Å; A116-V218 HydrophobicContact CB-CG2 4.09Å; Y120-V218 HydrophobicContact CD1-CG2 4.47Å; F214-V218 WeakPolarHBondContact O-CB 3.41Å; F214-V218 VanDerWaalsContact O-CG2 3.26Å; F214-V218 WeakPolarHBondContact O-CG2 3.32Å; F214-V218 PolarHBondContact O-N 2.93Å; N215-V218 PolarHBondContact O-N 3.28Å; I216-V218 VanDerWaalsContact C-N 3.27Å; I216-V218 PolarHBondContact O-N 3.12Å; V218-D220 VanDerWaalsContact C-N 3.35Å; V218-D220 PolarHBondContact O-N 3.24Å; V218-D221 PolarHBondContact O-N 3.38Å; V218-L222 HydrophobicContact CG1-CD1 3.91Å; V218-L222 HydrophobicContact CG1-CG 4.36Å; V218-L222 WeakPolarHBondContact O-CB 3.36Å; V218-L222 WeakPolarHBondContact O-CG 3.29Å; V218-L222 PolarHBondContact O-N 2.94Å |
| 219 | F | 96.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 178.8 | -59.7 | -24.5 | 0 | 0 | 0 | 112.6 | T37 L39 M40 L56 N215 I216 L222 Q223 | T37-F219 HydrophobicContact CG2-CB 4.27Å; T37-F219 HydrophobicContact CG2-CD2 4.17Å; L39-F219 HydrophobicContact CB-CB 4.29Å; L39-F219 HydrophobicContact CD2-CB 4.28Å; L39-F219 HydrophobicContact CD2-CD1 3.71Å; L39-F219 HydrophobicContact CD2-CE1 4.37Å; L39-F219 HydrophobicContact CD2-CG 4.17Å; M40-F219 HydrophobicContact CE-CD1 4.44Å; M40-F219 HydrophobicContact CE-CD2 4.45Å; M40-F219 HydrophobicContact CE-CE1 4.14Å; M40-F219 HydrophobicContact CE-CE2 4.14Å; M40-F219 HydrophobicContact CE-CZ 3.97Å; M40-F219 HydrophobicContact CG-CD2 4.11Å; M40-F219 HydrophobicContact CG-CE2 3.94Å; M40-F219 HydrophobicContact SD-CE2 4.24Å; M40-F219 HydrophobicContact SD-CZ 4.38Å; L56-F219 HydrophobicContact CD1-CD1 4.4Å; L56-F219 HydrophobicContact CD1-CE1 3.92Å; N215-F219 HydrophobicContact CB-CE2 4.37Å; N215-F219 HydrophobicContact CB-CZ 4.45Å; N215-F219 WeakPolarHBondContact O-CD2 3.43Å; N215-F219 VanDerWaalsContact O-CG 3.22Å; N215-F219 WeakPolarHBondContact O-CG 3.42Å; N215-F219 PolarHBondContact O-N 2.87Å; I216-F219 PolarHBondContact O-N 3.2Å; I216-F219 VanDerWaalsContact O-N 3.08Å; F219-L222 HydrophobicContact CD1-CD1 4.42Å; F219-Q223 VanDerWaalsContact O-CG 3.29Å; F219-Q223 WeakPolarHBondContact O-CG 3.33Å; F219-Q223 PolarHBondContact O-N 3.39Å; F219-Q223 VanDerWaalsContact O-N 3.16Å |
| 220 | D | 96.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.1 | -39 | 178.5 | -67.2 | -21.5 | 0 | 0 | 0 | 112.3 | I216 V218 Q223 T224 | I216-D220 PolarHBondContact O-N 3.14Å; V218-D220 VanDerWaalsContact C-N 3.35Å; V218-D220 PolarHBondContact O-N 3.24Å; D220-Q223 PolarHBondContact O-N 2.88Å; D220-T224 PolarHBondContact O-N 2.92Å; D220-T224 PolarHBondContact O-OG1 3.5Å |
| 221 | D | 96.3 | Very high | 92.7 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 20% | 0.203 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.5 | -157.7 | 25.9 | 0 | 0 | 0 | 110.8 | P114 A115 A116 Q217 V218 Q223 T224 M225 | P114-D221 HydrophobicContact CB-CB 4.37Å; P114-D221 VanDerWaalsContact CB-OD2 3.23Å; P114-D221 WeakPolarHBondContact CB-OD2 3.48Å; A115-D221 PolarHBondContact N-OD2 3.12Å; A115-D221 VanDerWaalsContact N-OD2 3.12Å; A116-D221 HydrophobicContact CB-CB 3.63Å; A116-D221 WeakPolarHBondContact CB-OD2 3.21Å; A116-D221 PolarHBondContact N-OD2 3.27Å; Q217-D221 VanDerWaalsContact O-CB 3.25Å; Q217-D221 WeakPolarHBondContact O-CB 3.28Å; Q217-D221 PolarHBondContact O-N 3.01Å; V218-D221 PolarHBondContact O-N 3.38Å; D221-Q223 VanDerWaalsContact C-N 3.33Å; D221-Q223 PolarHBondContact O-N 3.12Å; D221-T224 PolarHBondContact O-N 3.16Å; D221-M225 WeakPolarHBondContact O-CG 3.33Å; D221-M225 PolarHBondContact O-N 3.44Å |
| 222 | L | 94.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 173.4 | -71.3 | 170.3 | 0 | 0 | 0 | 111.9 | L39 L55 L56 P114 V218 F219 T224 M225 L226 | L39-L222 HydrophobicContact CD2-CD1 3.96Å; L55-L222 HydrophobicContact CB-CD2 3.57Å; L56-L222 HydrophobicContact CB-CD1 4.44Å; L56-L222 HydrophobicContact CD1-CD1 4.18Å; P114-L222 HydrophobicContact CG-CD2 3.66Å; P114-L222 HydrophobicContact CG-CG 4.33Å; V218-L222 HydrophobicContact CG1-CD1 3.91Å; V218-L222 HydrophobicContact CG1-CG 4.36Å; V218-L222 WeakPolarHBondContact O-CB 3.36Å; V218-L222 WeakPolarHBondContact O-CG 3.29Å; V218-L222 PolarHBondContact O-N 2.94Å; F219-L222 HydrophobicContact CD1-CD1 4.42Å; L222-T224 VanDerWaalsContact C-N 3.35Å; L222-M225 PolarHBondContact O-N 3.05Å; L222-L226 WeakPolarHBondContact O-CD1 3.44Å; L222-L226 WeakPolarHBondContact O-CG 3.36Å; L222-L226 PolarHBondContact O-N 3.22Å; L222-L226 VanDerWaalsContact O-N 3.16Å |
| 223 | Q | 92.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 178.7 | -70.1 | -70.8 | 94.1 | 0 | 0 | 112 | E38 L39 F219 D220 D221 L226 K227 | E38-Q223 HydrophobicContact CB-CG 4.12Å; E38-Q223 VanDerWaalsContact CB-NE2 3.33Å; E38-Q223 PolarHBondContact OE2-NE2 3.04Å; E38-Q223 VanDerWaalsContact OE2-NE2 3.09Å; L39-Q223 HydrophobicContact CB-CG 4.14Å; F219-Q223 VanDerWaalsContact O-CG 3.29Å; F219-Q223 WeakPolarHBondContact O-CG 3.33Å; F219-Q223 PolarHBondContact O-N 3.39Å; F219-Q223 VanDerWaalsContact O-N 3.16Å; D220-Q223 PolarHBondContact O-N 2.88Å; D221-Q223 VanDerWaalsContact C-N 3.33Å; D221-Q223 PolarHBondContact O-N 3.12Å; Q223-L226 PolarHBondContact O-N 3.36Å; Q223-K227 WeakPolarHBondContact O-CG 3.31Å; Q223-K227 PolarHBondContact O-N 3.38Å |
| 224 | T | 92.9 | Very high | 87 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | D220 D221 L222 L226 K227 L228 | D220-T224 PolarHBondContact O-N 2.92Å; D220-T224 PolarHBondContact O-OG1 3.5Å; D221-T224 PolarHBondContact O-N 3.16Å; L222-T224 VanDerWaalsContact C-N 3.35Å; T224-L226 VanDerWaalsContact C-N 3.3Å; T224-L226 PolarHBondContact O-N 3.27Å; T224-K227 PolarHBondContact O-N 3.15Å; T224-L228 HydrophobicContact CG2-CD1 4.23Å; T224-L228 WeakPolarHBondContact O-CG 3.37Å; T224-L228 PolarHBondContact O-N 2.86Å; T224-L228 VanDerWaalsContact O-N 3.08Å |
| 225 | M | 92.6 | Very high | 84.6 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 21% | 0.212 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 177.8 | -72.6 | -176 | 65.1 | 0 | 0 | 112.6 | V112 P114 D221 L222 L228 Q229 | V112-M225 HydrophobicContact CG1-CE 3.71Å; P114-M225 HydrophobicContact CB-SD 3.68Å; P114-M225 HydrophobicContact CG-SD 3.67Å; D221-M225 WeakPolarHBondContact O-CG 3.33Å; D221-M225 PolarHBondContact O-N 3.44Å; L222-M225 PolarHBondContact O-N 3.05Å; M225-L228 PolarHBondContact O-N 3.47Å; M225-Q229 WeakPolarHBondContact O-CG 3.49Å; M225-Q229 PolarHBondContact O-N 3.44Å |
| 226 | L | 88.9 | Confident | 82.1 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 178.7 | -71.4 | 162.7 | 0 | 0 | 0 | 113 | A51 Q52 L55 L222 Q223 T224 L228 Q229 N230 | A51-L226 HydrophobicContact CB-CD2 3.85Å; Q52-L226 HydrophobicContact CB-CD1 4.15Å; Q52-L226 HydrophobicContact CG-CD1 3.25Å; L55-L226 HydrophobicContact CD1-CD1 4.25Å; L55-L226 HydrophobicContact CD1-CD2 3.6Å; L55-L226 HydrophobicContact CD1-CG 3.67Å; L222-L226 WeakPolarHBondContact O-CD1 3.44Å; L222-L226 WeakPolarHBondContact O-CG 3.36Å; L222-L226 PolarHBondContact O-N 3.22Å; L222-L226 VanDerWaalsContact O-N 3.16Å; Q223-L226 PolarHBondContact O-N 3.36Å; T224-L226 VanDerWaalsContact C-N 3.3Å; T224-L226 PolarHBondContact O-N 3.27Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L226-Q229 PolarHBondContact O-N 2.95Å; L226-N230 PolarHBondContact O-N 2.75Å; L226-N230 PolarHBondContact O-ND2 3.23Å |
| 227 | K | 89.6 | Confident | 79.2 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 174.3 | -73.1 | 172.6 | -175.5 | 172.7 | 0 | 110.3 | E38 Q223 T224 Q229 N230 D231 | E38-K227 VanDerWaalsContact CD-NZ 3.3Å; E38-K227 IonicContact OE1-NZ 3.22Å; E38-K227 PolarHBondContact OE1-NZ 3.33Å; E38-K227 WeakPolarHBondContact OE2-CE 3.31Å; E38-K227 IonicContact OE2-NZ 3.95Å; E38-K227 PolarHBondContact OE2-NZ 3.22Å; Q223-K227 WeakPolarHBondContact O-CG 3.31Å; Q223-K227 PolarHBondContact O-N 3.38Å; T224-K227 PolarHBondContact O-N 3.15Å; K227-Q229 PolarHBondContact O-N 2.89Å; K227-N230 PolarHBondContact O-N 2.96Å; K227-D231 PolarHBondContact O-N 3.5Å |
| 228 | L | 86.3 | Confident | 76.4 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 58% | 0.581 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64 | -38.6 | 178.2 | -66.3 | 173.8 | 0 | 0 | 0 | 113.2 | T224 M225 L226 D231 S232 | T224-L228 HydrophobicContact CG2-CD1 4.23Å; T224-L228 WeakPolarHBondContact O-CG 3.37Å; T224-L228 PolarHBondContact O-N 2.86Å; T224-L228 VanDerWaalsContact O-N 3.08Å; M225-L228 PolarHBondContact O-N 3.47Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L228-D231 PolarHBondContact O-N 2.87Å; L228-S232 WeakPolarHBondContact O-CB 3.29Å; L228-S232 PolarHBondContact O-N 2.91Å; L228-S232 PolarHBondContact O-OG 3.07Å |
| 229 | Q | 81.3 | Confident | 73.4 | Confident | 92 Ų | 92 | 86.8 Ų | 86.8 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.4 | -77.3 | 179.3 | -17.5 | 0 | 0 | 111.8 | M225 L226 K227 S232 T233 | M225-Q229 WeakPolarHBondContact O-CG 3.49Å; M225-Q229 PolarHBondContact O-N 3.44Å; L226-Q229 PolarHBondContact O-N 2.95Å; K227-Q229 PolarHBondContact O-N 2.89Å; Q229-S232 PolarHBondContact O-N 2.95Å; Q229-S232 PolarHBondContact O-OG 3.48Å; Q229-T233 WeakPolarHBondContact O-CG2 3.43Å; Q229-T233 PolarHBondContact O-N 3.37Å; Q229-T233 VanDerWaalsContact O-N 3.08Å; Q229-T233 PolarHBondContact O-OG1 3.35Å |
| 230 | N | 77.5 | Confident | 70.6 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.1 | -69.6 | -25 | 0 | 0 | 0 | 112 | L226 K227 S232 T233 L234 | L226-N230 PolarHBondContact O-N 2.75Å; L226-N230 PolarHBondContact O-ND2 3.23Å; K227-N230 PolarHBondContact O-N 2.96Å; N230-S232 VanDerWaalsContact C-N 3.34Å; N230-S232 PolarHBondContact O-N 2.69Å; N230-T233 WeakPolarHBondContact CA-OG1 3.27Å; N230-T233 PolarHBondContact O-N 3.25Å; N230-T233 PolarHBondContact O-OG1 2.87Å; N230-L234 WeakPolarHBondContact O-CB 3.36Å; N230-L234 WeakPolarHBondContact O-CD1 3.49Å; N230-L234 PolarHBondContact O-N 3.47Å |
| 231 | D | 74.3 | Confident | 67.7 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 178.7 | -69.2 | -18 | 0 | 0 | 0 | 112.4 | K227 L228 S235 | K227-D231 PolarHBondContact O-N 3.5Å; L228-D231 PolarHBondContact O-N 2.87Å; D231-S235 PolarHBondContact O-N 3.08Å; D231-S235 VanDerWaalsContact O-N 3.14Å; D231-S235 PolarHBondContact O-OG 3.03Å |
| 232 | S | 64.9 | Low | 64.8 | Low | 77 Ų | 77 | 103.4 Ų | 103.4 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.6 | -30.8 | 175 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | L228 Q229 N230 | L228-S232 WeakPolarHBondContact O-CB 3.29Å; L228-S232 PolarHBondContact O-N 2.91Å; L228-S232 PolarHBondContact O-OG 3.07Å; Q229-S232 PolarHBondContact O-N 2.95Å; Q229-S232 PolarHBondContact O-OG 3.48Å; N230-S232 VanDerWaalsContact C-N 3.34Å; N230-S232 PolarHBondContact O-N 2.69Å |
| 233 | T | 59.6 | Low | 62.1 | Low | 104 Ų | 104 | 109.8 Ų | 109.8 | 64% | 0.638 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.6 | -26.4 | 177.6 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | Q229 N230 S235 | Q229-T233 WeakPolarHBondContact O-CG2 3.43Å; Q229-T233 PolarHBondContact O-N 3.37Å; Q229-T233 VanDerWaalsContact O-N 3.08Å; Q229-T233 PolarHBondContact O-OG1 3.35Å; N230-T233 WeakPolarHBondContact CA-OG1 3.27Å; N230-T233 PolarHBondContact O-N 3.25Å; N230-T233 PolarHBondContact O-OG1 2.87Å; T233-S235 VanDerWaalsContact C-N 3.33Å |
| 234 | L | 51.6 | Low | 59.2 | Low | 137 Ų | 137 | 115 Ų | 115 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.6 | -18.8 | 170.3 | -82 | 150.9 | 0 | 0 | 0 | 113 | N230 K236 | N230-L234 WeakPolarHBondContact O-CB 3.36Å; N230-L234 WeakPolarHBondContact O-CD1 3.49Å; N230-L234 PolarHBondContact O-N 3.47Å; L234-K236 PolarHBondContact O-N 2.9Å; L234-K236 VanDerWaalsContact O-N 3.11Å |
| 235 | S | 46.9 | Very low | 56.3 | Low | 94 Ų | 94 | 115.1 Ų | 115.1 | 66% | 0.657 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -79.5 | 85.8 | 171.2 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | D231 T233 | D231-S235 PolarHBondContact O-N 3.08Å; D231-S235 VanDerWaalsContact O-N 3.14Å; D231-S235 PolarHBondContact O-OG 3.03Å; T233-S235 VanDerWaalsContact C-N 3.33Å |
| 236 | K | 45.2 | Very low | 53.3 | Low | 191 Ų | 191 | 119.4 Ų | 119.4 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | trans | -63.4 | 163.5 | 173.5 | -98.6 | -172.6 | -175.5 | -179.2 | 0 | 112.9 | L234 | L234-K236 PolarHBondContact O-N 2.9Å; L234-K236 VanDerWaalsContact O-N 3.11Å | ||
| 237 | P | 39.1 | Very low | 50.8 | Low | 110 Ų | 110 | 125.4 Ų | 125.4 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | trans | -70.5 | 152.5 | -140.6 | 33.6 | -35.2 | 0 | 0 | 0 | 113.2 | K239 | P237-K239 PolarHBondContact O-N 3.34Š| ||
| 238 | V | 39.8 | Very low | 48 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | trans | -47.5 | 113.6 | 164.1 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | T240 | V238-T240 PolarHBondContact O-N 3.48Š| ||
| 239 | K | 34.3 | Very low | 45.3 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -62.9 | 105.2 | 165.4 | -78.1 | -180 | 177.4 | 177.7 | 0 | 106.7 | P237 L241 | P237-K239 PolarHBondContact O-N 3.34Å; K239-L241 PolarHBondContact O-N 2.75Å; K239-L241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | T | 38.5 | Very low | 42.9 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | -51.7 | 119.8 | 159.8 | -43.9 | 0 | 0 | 0 | 0 | 106.9 | V238 Q242 | V238-T240 PolarHBondContact O-N 3.48Å; T240-Q242 PolarHBondContact O-N 2.94Å | ||
| 241 | L | 34.9 | Very low | 40.8 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -57.1 | 106.3 | 173.9 | -97.4 | 89.7 | 0 | 0 | 0 | 108.2 | K239 | K239-L241 PolarHBondContact O-N 2.75Å; K239-L241 VanDerWaalsContact O-N 3.13Å | ||
| 242 | Q | 35.7 | Very low | 39.1 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 123.8 | 163.6 | -81.3 | -177.6 | -17.8 | 0 | 0 | 108.8 | T240 | T240-Q242 PolarHBondContact O-N 2.94Š|
| 243 | V | 37 | Very low | 37.5 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 146.2 | 172.2 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 244 | P | 33.3 | Very low | 36.1 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131.2 | -164.1 | 7.6 | 6.1 | 0 | 0 | 0 | 112.7 | ||
| 245 | G | 30.5 | Very low | 35 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -141.7 | 120.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 246 | T | 30.3 | Very low | 34.1 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -48 | 153.9 | -172.8 | -8.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 247 | I | 36 | Very low | 33.2 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | 111.5 | 108.9 | 142.5 | -67.1 | 159.9 | 0 | 0 | 0 | 120 | ||||
| 248 | T | 32 | Very low | 32.4 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | 45.6 | 129.9 | 140.9 | 70 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 249 | N | 29.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | 172.2 | 130.8 | 89.1 | -117.4 | -8.6 | 0 | 0 | 0 | 114.5 | |||||
| 250 | T | 30.9 | Very low | 31.3 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | trans | 47.4 | 113.6 | 138.5 | 55.7 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 251 | F | 33.2 | Very low | 30.7 | Very low | 193 Ų | 193 | 143 Ų | 143 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 53.7 | 165.2 | 130.3 | -63.9 | -68.2 | 0 | 0 | 0 | 124.4 | ||||
| 252 | P | 38.8 | Very low | 30.1 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | -138.7 | 165.3 | -50.1 | 39.6 | -22 | 0 | 0 | 0 | 116.7 | |||||
| 253 | L | 31 | Very low | 29.5 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 41.9 | 124.3 | 142.5 | -75.5 | 156.3 | 0 | 0 | 0 | 125.1 | ||||
| 254 | L | 30.4 | Very low | 29.1 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | -172.2 | 111.9 | 129.2 | -128.5 | 79.6 | 0 | 0 | 0 | 108.5 | |||||
| 255 | R | 28.1 | Very low | 28.8 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 39.3 | 135.9 | 81.7 | -73.4 | -167 | 177.6 | -165.1 | 2.4 | 113.3 | |||||
| 256 | L | 27.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | cis | -176.6 | 136.9 | 23.3 | -156.9 | 85.4 | 0 | 0 | 0 | 109.6 | ||||
| 257 | V | 25.3 | Very low | 28.4 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | 62.3 | 122 | 129 | 169.3 | 0 | 0 | 0 | 0 | 125 | |||||
| 258 | L | 23 | Very low | 28 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | 61.5 | 136.9 | 121.5 | -154.6 | 80.3 | 0 | 0 | 0 | 122.3 | |||||
| 259 | G | 24.1 | Very low | 28 | Very low | 63 Ų | 63 | 138.4 Ų | 138.4 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | 144.2 | 99.3 | 135.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 260 | F | 26.6 | Very low | 28.2 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | trans | 38.7 | 136.6 | 135.8 | -101.2 | -101.7 | 0 | 0 | 0 | 122 | V262 | F260-V262 HydrophobicContact CD1-CG2 4.21Å; F260-V262 HydrophobicContact CE1-CG2 3.86Å | ||
| 261 | F | 25.5 | Very low | 28.5 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | -164.4 | 142.4 | 108.5 | -104.5 | -74.9 | 0 | 0 | 0 | 112 | |||||
| 262 | V | 24.2 | Very low | 28.4 | Very low | 112 Ų | 112 | 135 Ų | 135 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | -103.4 | 162.2 | -177 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | F260 | F260-V262 HydrophobicContact CD1-CG2 4.21Å; F260-V262 HydrophobicContact CE1-CG2 3.86Å | ||
| 263 | A | 23.1 | Very low | 28 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 97 | 135.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 264 | V | 27.6 | Very low | 28.3 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | -159.5 | 146.5 | 50.3 | 162.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 265 | T | 26.3 | Very low | 28.2 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -6.3 | 143 | 164.6 | 60.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 266 | A | 25.6 | Very low | 28.2 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | 51.8 | 123.2 | 125.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 267 | V | 28.1 | Very low | 28.2 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 174.1 | 121.5 | 132.9 | 157.2 | 0 | 0 | 0 | 0 | 104 | ||||
| 268 | S | 26.2 | Very low | 28.4 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | -174.1 | 100.9 | 106.2 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 269 | M | 32.6 | Very low | 28.7 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 97% | 0.97 | 77% | 0.765 | S | S | * | * | trans | -92.9 | 128.4 | 144.3 | -73.1 | -166.4 | -59.5 | 0 | 0 | 106.3 | ||||
| 270 | G | 34 | Very low | 29 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 146.8 | 63.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 271 | V | 36.3 | Very low | 29.2 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -142.3 | 69 | 150.9 | -167.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 272 | Y | 32.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 62% | 0.616 | 76% | 0.764 | S | S | * | * | trans | -141.3 | 83.4 | 157.7 | -88.8 | -79 | 0 | 0 | 0 | 108.1 | ||||
| 273 | A | 30.3 | Very low | 29.9 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 57% | 0.57 | 77% | 0.771 | S | S | * | * | trans | -165 | 135.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 274 | F | 36.4 | Very low | 30.5 | Very low | 214 Ų | 214 | 130.4 Ų | 130.4 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | 91.4 | 0 | 172.5 | -41.7 | -66.5 | 0 | 0 | 0 | 117.8 |
Retrieved 274 of 274 residues in 133 ms
(Link to these results)