| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59 | Low | 89.9 | Confident | 208 Ų | 208 | 61.9 Ų | 61.9 | 100% | 1.025 | 33% | 0.327 | S | S | * | . | 0 | 121.1 | 0 | -160.9 | -179.1 | -78.7 | 0 | 0 | 105.8 | |||||
| 2 | S | 81 | Confident | 90.5 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | trans | -68.1 | 130.8 | -175.4 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | V4 L5 N6 H42 | S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 PolarHBondContact O-N 3.49Å; S2-V4 VanDerWaalsContact OG-CG2 3.28Å; S2-V4 WeakPolarHBondContact OG-CG2 3.39Å; S2-L5 PolarHBondContact O-N 2.99Å; S2-N6 PolarHBondContact O-N 3.38Å; S2-H42 PolarHBondContact OG-CE1 3.32Å; S2-H42 PolarHBondContact OG-NE2 2.88Å | ||
| 3 | L | 87.3 | Confident | 90.9 | Very high | 144 Ų | 144 | 63.9 Ų | 63.9 | 75% | 0.754 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | -178.2 | -73.1 | 167.8 | 0 | 0 | 0 | 111.2 | L5 N6 D7 | L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 3.26Å; L3-N6 WeakPolarHBondContact O-CB 3.49Å; L3-N6 PolarHBondContact O-N 3.02Å; L3-D7 PolarHBondContact O-N 3.19Å |
| 4 | V | 90.3 | Very high | 91.3 | Very high | 39 Ų | 39 | 65.1 Ų | 65.1 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | S2 L8 E38 | S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 PolarHBondContact O-N 3.49Å; S2-V4 VanDerWaalsContact OG-CG2 3.28Å; S2-V4 WeakPolarHBondContact OG-CG2 3.39Å; V4-L8 PolarHBondContact O-N 3.45Å; V4-E38 HydrophobicContact CG2-CB 4.13Å |
| 5 | L | 92.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.2 | -32 | 173.6 | -75.6 | -172.9 | 0 | 0 | 0 | 112.5 | S2 L3 L9 T39 H42 L43 H46 L55 | S2-L5 PolarHBondContact O-N 2.99Å; L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.42Å; L5-T39 HydrophobicContact CD2-CG2 4.36Å; L5-H42 HydrophobicContact CD1-CB 3.51Å; L5-H42 HydrophobicContact CD2-CB 3.93Å; L5-H42 HydrophobicContact CG-CB 3.75Å; L5-L43 HydrophobicContact CD2-CD2 3.9Å; L5-L43 HydrophobicContact CD2-CG 4.04Å; L5-H46 WeakPolarHBondContact CD1-CE1 3.36Å; L5-L55 HydrophobicContact CD2-CD2 4.49Å |
| 6 | N | 94.4 | Very high | 91.7 | Very high | 59 Ų | 59 | 61 Ų | 61 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 173.7 | -167.7 | -73.5 | 0 | 0 | 0 | 109.9 | S2 L3 L8 L9 I10 | S2-N6 PolarHBondContact O-N 3.38Å; L3-N6 WeakPolarHBondContact O-CB 3.49Å; L3-N6 PolarHBondContact O-N 3.02Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.19Å; N6-L9 WeakPolarHBondContact O-CB 3.26Å; N6-L9 PolarHBondContact O-N 3.3Å; N6-L9 VanDerWaalsContact O-N 3.13Å; N6-I10 WeakPolarHBondContact O-CG1 3.35Å; N6-I10 PolarHBondContact O-N 3.1Å; N6-I10 WeakPolarHBondContact OD1-CD1 3.49Å |
| 7 | D | 96.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 175.4 | -72.6 | -22.3 | 0 | 0 | 0 | 112.5 | L3 I10 C11 L33 | L3-D7 PolarHBondContact O-N 3.19Å; D7-I10 PolarHBondContact O-N 3.42Å; D7-C11 VanDerWaalsContact O-CB 3.26Å; D7-C11 WeakPolarHBondContact O-CB 3.28Å; D7-C11 PolarHBondContact O-N 3.22Å; D7-L33 HydrophobicContact CB-CD2 4.4Å |
| 8 | L | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 173.9 | 179.7 | 62.4 | 0 | 0 | 0 | 111.7 | V4 N6 I10 C11 C12 F30 L33 I34 T39 L43 L55 V60 | V4-L8 PolarHBondContact O-N 3.45Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.19Å; L8-I10 PolarHBondContact O-N 3.04Å; L8-C11 WeakPolarHBondContact O-CB 2.97Å; L8-C11 PolarHBondContact O-N 3.44Å; L8-C12 WeakPolarHBondContact O-CB 3.36Å; L8-C12 PolarHBondContact O-N 3.46Å; L8-C12 PolarHBondContact O-SG 3.38Å; L8-F30 HydrophobicContact CD1-CD2 3.96Å; L8-F30 HydrophobicContact CD1-CE2 4.18Å; L8-L33 HydrophobicContact CB-CD1 4.41Å; L8-L33 HydrophobicContact CD1-CB 3.93Å; L8-L33 HydrophobicContact CD1-CD1 4.35Å; L8-I34 HydrophobicContact CD1-CG2 4Å; L8-T39 HydrophobicContact CD2-CG2 3.68Å; L8-L43 HydrophobicContact CD2-CD1 3.85Å; L8-L43 HydrophobicContact CD2-CD2 4.26Å; L8-L43 HydrophobicContact CD2-CG 4.43Å; L8-L55 HydrophobicContact CB-CD2 4.37Å; L8-L55 HydrophobicContact CD2-CD2 4.02Å; L8-L55 HydrophobicContact CG-CD2 4.1Å; L8-V60 HydrophobicContact CD2-CG2 3.91Å |
| 9 | L | 96.4 | Very high | 91.9 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 178.1 | -179.6 | 59.1 | 0 | 0 | 0 | 111.7 | L5 N6 C12 R13 L55 F63 | L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 PolarHBondContact O-N 3.42Å; N6-L9 WeakPolarHBondContact O-CB 3.26Å; N6-L9 PolarHBondContact O-N 3.3Å; N6-L9 VanDerWaalsContact O-N 3.13Å; L9-C12 PolarHBondContact O-N 3.48Å; L9-R13 WeakPolarHBondContact O-CG 3.38Å; L9-R13 PolarHBondContact O-N 3.3Å; L9-L55 HydrophobicContact CB-CD2 4.12Å; L9-L55 HydrophobicContact CD1-CD1 4.25Å; L9-F63 HydrophobicContact CD1-CE2 4.09Å; L9-F63 HydrophobicContact CD1-CZ 4.19Å |
| 10 | I | 96.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 36% | 0.359 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 175.6 | -68.4 | 170.3 | 0 | 0 | 0 | 109.4 | N6 D7 L8 C12 R13 Q14 | N6-I10 WeakPolarHBondContact O-CG1 3.35Å; N6-I10 PolarHBondContact O-N 3.1Å; N6-I10 WeakPolarHBondContact OD1-CD1 3.49Å; D7-I10 PolarHBondContact O-N 3.42Å; L8-I10 PolarHBondContact O-N 3.04Å; I10-C12 VanDerWaalsContact C-N 3.33Å; I10-C12 PolarHBondContact O-N 2.76Å; I10-R13 PolarHBondContact O-N 3.31Å; I10-Q14 HydrophobicContact CG2-CG 4.45Å; I10-Q14 WeakPolarHBondContact O-CG 3.41Å; I10-Q14 PolarHBondContact O-N 3.29Å |
| 11 | C | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.6 | -46.1 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | D7 L8 R13 Q14 L15 E26 K29 L33 | D7-C11 VanDerWaalsContact O-CB 3.26Å; D7-C11 WeakPolarHBondContact O-CB 3.28Å; D7-C11 PolarHBondContact O-N 3.22Å; L8-C11 WeakPolarHBondContact O-CB 2.97Å; L8-C11 PolarHBondContact O-N 3.44Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.93Å; C11-Q14 CarbonylContact O-C 3.57Å; C11-Q14 PolarHBondContact O-N 3.02Å; C11-L15 PolarHBondContact O-N 3.09Å; C11-E26 PolarHBondContact SG-O 3.34Å; C11-E26 VanDerWaalsContact SG-O 3.35Å; C11-E26 PolarHBondContact SG-OE2 3.48Å; C11-K29 HydrophobicContact CB-CD 4.34Å; C11-L33 HydrophobicContact CB-CD1 3.8Å |
| 12 | C | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 177.3 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | L8 L9 I10 Q14 L15 F63 | L8-C12 WeakPolarHBondContact O-CB 3.36Å; L8-C12 PolarHBondContact O-N 3.46Å; L8-C12 PolarHBondContact O-SG 3.38Å; L9-C12 PolarHBondContact O-N 3.48Å; I10-C12 VanDerWaalsContact C-N 3.33Å; I10-C12 PolarHBondContact O-N 2.76Å; C12-Q14 VanDerWaalsContact C-N 3.3Å; C12-Q14 PolarHBondContact O-N 3.37Å; C12-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.09Å; C12-F63 HydrophobicContact CB-CB 3.82Å; C12-F63 HydrophobicContact CB-CD1 4.12Å; C12-F63 HydrophobicContact CB-CD2 3.65Å; C12-F63 HydrophobicContact CB-CE2 4.21Å; C12-F63 HydrophobicContact CB-CG 3.61Å |
| 13 | R | 95.7 | Very high | 94.3 | Very high | 150 Ų | 150 | 61.8 Ų | 61.8 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65 | -35.2 | 175.7 | -69.4 | 171.7 | -179.9 | -179.1 | -1.3 | 112 | L9 I10 C11 L15 E16 F63 | L9-R13 WeakPolarHBondContact O-CG 3.38Å; L9-R13 PolarHBondContact O-N 3.3Å; I10-R13 PolarHBondContact O-N 3.31Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.93Å; R13-L15 VanDerWaalsContact C-N 3.3Å; R13-L15 PolarHBondContact O-N 3.44Å; R13-E16 PolarHBondContact O-N 3.5Å; R13-F63 HydrophobicContact CG-CE1 4.23Å; R13-F63 HydrophobicContact CG-CZ 4.47Å |
| 14 | Q | 96.6 | Very high | 94.6 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.6 | -13.1 | 178.8 | -62.4 | -63.1 | -31.2 | 0 | 0 | 113.3 | I10 C11 C12 E16 H17 E26 | I10-Q14 HydrophobicContact CG2-CG 4.45Å; I10-Q14 WeakPolarHBondContact O-CG 3.41Å; I10-Q14 PolarHBondContact O-N 3.29Å; C11-Q14 CarbonylContact O-C 3.57Å; C11-Q14 PolarHBondContact O-N 3.02Å; C12-Q14 VanDerWaalsContact C-N 3.3Å; C12-Q14 PolarHBondContact O-N 3.37Å; Q14-E16 PolarHBondContact O-N 3.01Å; Q14-H17 WeakPolarHBondContact O-CB 2.9Å; Q14-H17 PolarHBondContact O-N 3.46Å; Q14-H17 PolarHBondContact OE1-CD2 2.96Å; Q14-E26 HydrophobicContact CB-CB 4.46Å; Q14-E26 HydrophobicContact CB-CG 3.63Å |
| 15 | L | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.1 | 168.6 | -65 | 176 | 0 | 0 | 0 | 111.9 | C11 C12 R13 H17 R23 E26 V27 F30 Y67 | C11-L15 PolarHBondContact O-N 3.09Å; C12-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.09Å; R13-L15 VanDerWaalsContact C-N 3.3Å; R13-L15 PolarHBondContact O-N 3.44Å; L15-H17 VanDerWaalsContact C-N 3.28Å; L15-H17 PolarHBondContact O-N 2.9Å; L15-R23 WeakPolarHBondContact O-CD 3.47Å; L15-R23 WeakPolarHBondContact O-CG 3.45Å; L15-E26 HydrophobicContact CD2-CB 4.01Å; L15-V27 HydrophobicContact CD2-CG2 3.81Å; L15-F30 HydrophobicContact CD1-CD2 3.97Å; L15-F30 HydrophobicContact CD1-CE2 4.23Å; L15-F30 HydrophobicContact CD1-CG 4.32Å; L15-F30 HydrophobicContact CD2-CB 4.41Å; L15-Y67 HydrophobicContact CB-CD2 4.19Å; L15-Y67 HydrophobicContact CB-CG 4.29Å; L15-Y67 WeakPolarHBondContact O-CD2 3.48Å |
| 16 | E | 92.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.6 | 176.9 | -61 | -177.5 | -124.8 | 0 | 0 | 113 | R13 Q14 K66 K70 | R13-E16 PolarHBondContact O-N 3.5Å; Q14-E16 PolarHBondContact O-N 3.01Å; E16-K66 HydrophobicContact CG-CB 4.23Å; E16-K66 WeakPolarHBondContact OE1-CD 3.2Å; E16-K66 IonicContact OE1-NZ 3.71Å; E16-K70 WeakPolarHBondContact O-CE 3.38Å; E16-K70 PolarHBondContact O-NZ 3.32Å |
| 17 | H | 94.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 64.1 Ų | 64.1 | 27% | 0.269 | 31% | 0.306 | S | S | . | . | trans | -60 | 145.6 | -177.3 | -168.9 | -80.6 | 0 | 0 | 0 | 112.8 | Q14 L15 R19 E22 R23 | Q14-H17 WeakPolarHBondContact O-CB 2.9Å; Q14-H17 PolarHBondContact O-N 3.46Å; Q14-H17 PolarHBondContact OE1-CD2 2.96Å; L15-H17 VanDerWaalsContact C-N 3.28Å; L15-H17 PolarHBondContact O-N 2.9Å; H17-R19 PolarHBondContact ND1-N 3.14Å; H17-E22 HydrophobicContact CB-CB 4.4Å; H17-R23 HydrophobicContact CB-CG 4.08Å; H17-R23 WeakPolarHBondContact O-CD 3.08Å; H17-R23 WeakPolarHBondContact O-CG 3.23Å; H17-R23 PolarHBondContact O-NH1 3.29Å | ||
| 18 | D | 91.8 | Very high | 95.2 | Very high | 132 Ų | 132 | 65.1 Ų | 65.1 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -69.9 | -37.1 | -174.9 | -66.1 | -35.5 | 0 | 0 | 0 | 113.4 | A20 R23 K70 | D18-A20 PolarHBondContact O-N 3.3Å; D18-R23 PolarHBondContact O-NH1 3.36Å; D18-K70 IonicContact OD1-NZ 3.34Å; D18-K70 PolarHBondContact OD1-NZ 3.42Å |
| 19 | R | 93.1 | Very high | 95.2 | Very high | 174 Ų | 174 | 68.2 Ų | 68.2 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.5 | 122.6 | 176.1 | -59.2 | -179.5 | -172.9 | 170.8 | 0.1 | 111.5 | H17 T21 E22 R23 | H17-R19 PolarHBondContact ND1-N 3.14Å; R19-T21 VanDerWaalsContact C-N 3.29Å; R19-T21 PolarHBondContact O-N 2.8Å; R19-E22 HydrophobicContact CB-CB 4.38Å; R19-E22 HydrophobicContact CB-CG 4.05Å; R19-E22 PolarHBondContact O-N 3.44Å; R19-R23 PolarHBondContact O-N 3.15Å |
| 20 | A | 91.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 66.3 Ų | 66.3 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -33.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D18 R23 K24 | D18-A20 PolarHBondContact O-N 3.3Å; A20-R23 PolarHBondContact O-N 3.42Å; A20-K24 PolarHBondContact O-N 3.3Å |
| 21 | T | 92.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 177.3 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | R19 K24 K25 | R19-T21 VanDerWaalsContact C-N 3.29Å; R19-T21 PolarHBondContact O-N 2.8Å; T21-K24 PolarHBondContact O-N 3.43Å; T21-K25 WeakPolarHBondContact O-CG 3.25Å; T21-K25 PolarHBondContact O-N 3.36Å |
| 22 | E | 95.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 74.3 Ų | 74.3 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.4 | -44.4 | 177.1 | -61.5 | -47.9 | 120.1 | 0 | 0 | 110.4 | H17 R19 K24 K25 E26 | H17-E22 HydrophobicContact CB-CB 4.4Å; R19-E22 HydrophobicContact CB-CB 4.38Å; R19-E22 HydrophobicContact CB-CG 4.05Å; R19-E22 PolarHBondContact O-N 3.44Å; E22-K24 VanDerWaalsContact C-N 3.27Å; E22-K24 PolarHBondContact O-N 2.88Å; E22-K25 WeakPolarHBondContact O-CB 3.02Å; E22-K25 PolarHBondContact O-N 3.11Å; E22-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 2.8Å; E22-K25 PolarHBondContact OE1-NZ 2.87Å; E22-K25 IonicContact OE2-NZ 3.41Å; E22-K25 PolarHBondContact OE2-NZ 3.49Å; E22-E26 WeakPolarHBondContact O-CG 3.45Å; E22-E26 PolarHBondContact O-N 3.31Å |
| 23 | R | 95.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 75.6 Ų | 75.6 | 1% | 0.011 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.8 | -42.5 | 173.6 | -63.8 | -164.2 | -60 | -91.5 | 8.3 | 112.6 | L15 H17 D18 R19 A20 K25 E26 V27 Y67 E71 | L15-R23 WeakPolarHBondContact O-CD 3.47Å; L15-R23 WeakPolarHBondContact O-CG 3.45Å; H17-R23 HydrophobicContact CB-CG 4.08Å; H17-R23 WeakPolarHBondContact O-CD 3.08Å; H17-R23 WeakPolarHBondContact O-CG 3.23Å; H17-R23 PolarHBondContact O-NH1 3.29Å; D18-R23 PolarHBondContact O-NH1 3.36Å; R19-R23 PolarHBondContact O-N 3.15Å; A20-R23 PolarHBondContact O-N 3.42Å; R23-K25 PolarHBondContact O-N 2.85Å; R23-E26 PolarHBondContact O-N 2.81Å; R23-V27 WeakPolarHBondContact O-CG2 3.44Å; R23-V27 PolarHBondContact O-N 2.82Å; R23-Y67 HydrophobicContact CB-CE2 4.02Å; R23-E71 IonicContact CZ-OE1 3.49Å; R23-E71 IonicContact NE-OE1 3.87Å; R23-E71 PolarHBondContact NE-OE1 3.06Å; R23-E71 IonicContact NH2-OE1 3.41Å; R23-E71 PolarHBondContact NH2-OE1 3.25Å; R23-E71 VanDerWaalsContact NH2-OE1 3.12Å; R23-E71 IonicContact NH2-OE2 2.76Å; R23-E71 PolarHBondContact NH2-OE2 3.08Å |
| 24 | K | 93.6 | Very high | 95.4 | Very high | 141 Ų | 141 | 68.4 Ų | 68.4 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 177.4 | -172.2 | 177.5 | -178.2 | 178.2 | 0 | 112.4 | A20 T21 E22 E26 V27 E28 | A20-K24 PolarHBondContact O-N 3.3Å; T21-K24 PolarHBondContact O-N 3.43Å; E22-K24 VanDerWaalsContact C-N 3.27Å; E22-K24 PolarHBondContact O-N 2.88Å; K24-E26 VanDerWaalsContact C-N 3.34Å; K24-V27 PolarHBondContact O-N 2.86Å; K24-E28 PolarHBondContact O-N 2.95Å |
| 25 | K | 95.9 | Very high | 95.4 | Very high | 121 Ų | 121 | 71.9 Ų | 71.9 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.2 | -68.9 | 171.1 | -175.8 | 167 | 0 | 111.1 | T21 E22 R23 V27 E28 K29 | T21-K25 WeakPolarHBondContact O-CG 3.25Å; T21-K25 PolarHBondContact O-N 3.36Å; E22-K25 WeakPolarHBondContact O-CB 3.02Å; E22-K25 PolarHBondContact O-N 3.11Å; E22-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 2.8Å; E22-K25 PolarHBondContact OE1-NZ 2.87Å; E22-K25 IonicContact OE2-NZ 3.41Å; E22-K25 PolarHBondContact OE2-NZ 3.49Å; R23-K25 PolarHBondContact O-N 2.85Å; K25-V27 VanDerWaalsContact C-N 3.35Å; K25-V27 PolarHBondContact O-N 2.59Å; K25-E28 PolarHBondContact O-N 2.97Å; K25-K29 PolarHBondContact O-N 3.48Å; K25-K29 VanDerWaalsContact O-N 3.1Å |
| 26 | E | 96.9 | Very high | 95.4 | Very high | 33 Ų | 33 | 74.4 Ų | 74.4 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.8 | -32.8 | -179.6 | -66.9 | -59 | 134.1 | 0 | 0 | 112.6 | C11 Q14 L15 E22 R23 K24 E28 K29 F30 | C11-E26 PolarHBondContact SG-O 3.34Å; C11-E26 VanDerWaalsContact SG-O 3.35Å; C11-E26 PolarHBondContact SG-OE2 3.48Å; Q14-E26 HydrophobicContact CB-CB 4.46Å; Q14-E26 HydrophobicContact CB-CG 3.63Å; L15-E26 HydrophobicContact CD2-CB 4.01Å; E22-E26 WeakPolarHBondContact O-CG 3.45Å; E22-E26 PolarHBondContact O-N 3.31Å; R23-E26 PolarHBondContact O-N 2.81Å; K24-E26 VanDerWaalsContact C-N 3.34Å; E26-E28 VanDerWaalsContact C-N 3.33Å; E26-E28 PolarHBondContact O-N 3.15Å; E26-K29 PolarHBondContact O-N 3.49Å; E26-F30 WeakPolarHBondContact O-CB 3.33Å; E26-F30 PolarHBondContact O-N 3.44Å |
| 27 | V | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 75.8 Ų | 75.8 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 171.9 | 166.4 | 0 | 0 | 0 | 0 | 112 | L15 R23 K24 K25 F30 K31 Y67 L100 | L15-V27 HydrophobicContact CD2-CG2 3.81Å; R23-V27 WeakPolarHBondContact O-CG2 3.44Å; R23-V27 PolarHBondContact O-N 2.82Å; K24-V27 PolarHBondContact O-N 2.86Å; K25-V27 VanDerWaalsContact C-N 3.35Å; K25-V27 PolarHBondContact O-N 2.59Å; V27-F30 WeakPolarHBondContact O-CB 3.27Å; V27-F30 PolarHBondContact O-N 3.49Å; V27-K31 HydrophobicContact CG1-CD 4.42Å; V27-K31 WeakPolarHBondContact O-CG 3.22Å; V27-K31 PolarHBondContact O-N 2.85Å; V27-Y67 HydrophobicContact CG2-CE1 3.79Å; V27-Y67 HydrophobicContact CG2-CE2 3.91Å; V27-Y67 VanDerWaalsContact CG2-CZ 3.45Å; V27-L100 HydrophobicContact CG1-CD1 4.45Å; V27-L100 HydrophobicContact CG1-CD2 3.82Å; V27-L100 HydrophobicContact CG2-CD2 4.22Å |
| 28 | E | 95.9 | Very high | 95.7 | Very high | 94 Ų | 94 | 77.2 Ų | 77.2 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.9 | -35 | 177.9 | -64.8 | -52.8 | 129.7 | 0 | 0 | 112.1 | K24 K25 E26 K31 R32 | K24-E28 PolarHBondContact O-N 2.95Å; K25-E28 PolarHBondContact O-N 2.97Å; E26-E28 VanDerWaalsContact C-N 3.33Å; E26-E28 PolarHBondContact O-N 3.15Å; E28-K31 IonicContact OE1-NZ 2.68Å; E28-K31 PolarHBondContact OE1-NZ 3.47Å; E28-K31 IonicContact OE2-NZ 2.73Å; E28-R32 WeakPolarHBondContact O-CG 3.42Å; E28-R32 PolarHBondContact O-N 3.17Å |
| 29 | K | 97.5 | Very high | 95.9 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 169.8 | -175 | 179.7 | 174.8 | -175.9 | 0 | 111.3 | C11 K25 E26 K31 R32 L33 | C11-K29 HydrophobicContact CB-CD 4.34Å; K25-K29 PolarHBondContact O-N 3.48Å; K25-K29 VanDerWaalsContact O-N 3.1Å; E26-K29 PolarHBondContact O-N 3.49Å; K29-K31 PolarHBondContact O-N 3.27Å; K29-R32 WeakPolarHBondContact O-CB 3.21Å; K29-R32 PolarHBondContact O-N 3.15Å; K29-R32 VanDerWaalsContact O-N 3.12Å; K29-L33 HydrophobicContact CD-CD1 4.48Å; K29-L33 HydrophobicContact CG-CD1 3.91Å; K29-L33 HydrophobicContact CG-CG 4.38Å; K29-L33 WeakPolarHBondContact O-CG 3.33Å; K29-L33 PolarHBondContact O-N 3.32Å |
| 30 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.3 | -50 | 177.9 | 175.3 | -96.8 | 0 | 0 | 0 | 111.5 | L8 L15 E26 V27 R32 L33 I34 V60 L64 L100 F104 | L8-F30 HydrophobicContact CD1-CD2 3.96Å; L8-F30 HydrophobicContact CD1-CE2 4.18Å; L15-F30 HydrophobicContact CD1-CD2 3.97Å; L15-F30 HydrophobicContact CD1-CE2 4.23Å; L15-F30 HydrophobicContact CD1-CG 4.32Å; L15-F30 HydrophobicContact CD2-CB 4.41Å; E26-F30 WeakPolarHBondContact O-CB 3.33Å; E26-F30 PolarHBondContact O-N 3.44Å; V27-F30 WeakPolarHBondContact O-CB 3.27Å; V27-F30 PolarHBondContact O-N 3.49Å; F30-R32 PolarHBondContact O-N 3.4Å; F30-L33 PolarHBondContact O-N 3.31Å; F30-L33 VanDerWaalsContact O-N 3.16Å; F30-I34 HydrophobicContact CD1-CD1 4.32Å; F30-I34 HydrophobicContact CD1-CG2 4.44Å; F30-I34 HydrophobicContact CD2-CG2 4.2Å; F30-I34 HydrophobicContact CE1-CD1 3.84Å; F30-I34 HydrophobicContact CE1-CG2 4.12Å; F30-I34 HydrophobicContact CE2-CG2 3.86Å; F30-I34 HydrophobicContact CG-CG2 4.48Å; F30-I34 HydrophobicContact CZ-CD1 4.37Å; F30-I34 HydrophobicContact CZ-CG2 3.82Å; F30-I34 WeakPolarHBondContact O-CG2 3.3Å; F30-I34 PolarHBondContact O-N 2.88Å; F30-V60 HydrophobicContact CE2-CG1 3.53Å; F30-V60 HydrophobicContact CZ-CG1 3.8Å; F30-L64 HydrophobicContact CE1-CD1 4.44Å; F30-L100 HydrophobicContact CD1-CD1 4.24Å; F30-L100 HydrophobicContact CE1-CD1 4.29Å; F30-F104 HydrophobicContact CE1-CD2 4.11Å; F30-F104 AromaticContact CZ-CD2 3.76Å; F30-F104 HydrophobicContact CZ-CD2 3.76Å; F30-F104 HydrophobicContact CZ-CE2 4.05Å |
| 31 | K | 97.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 67.6 Ų | 67.6 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.6 | -38.3 | 176.9 | -74.9 | 173.1 | -174.5 | 167.3 | 0 | 112.6 | V27 E28 K29 R35 L100 Y103 | V27-K31 HydrophobicContact CG1-CD 4.42Å; V27-K31 WeakPolarHBondContact O-CG 3.22Å; V27-K31 PolarHBondContact O-N 2.85Å; E28-K31 IonicContact OE1-NZ 2.68Å; E28-K31 PolarHBondContact OE1-NZ 3.47Å; E28-K31 IonicContact OE2-NZ 2.73Å; K29-K31 PolarHBondContact O-N 3.27Å; K31-R35 WeakPolarHBondContact O-CG 3.46Å; K31-L100 HydrophobicContact CD-CD1 4.41Å; K31-L100 HydrophobicContact CG-CD1 3.82Å; K31-Y103 HydrophobicContact CB-CE1 4.3Å; K31-Y103 HydrophobicContact CG-CD1 4.36Å; K31-Y103 HydrophobicContact CG-CE1 4.04Å |
| 32 | R | 97.4 | Very high | 96.4 | Very high | 179 Ų | 179 | 65.3 Ų | 65.3 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.4 | -48.3 | 176.4 | -71.4 | -175 | -70.1 | 163.8 | -1 | 111.4 | E28 K29 F30 I34 R35 D36 | E28-R32 WeakPolarHBondContact O-CG 3.42Å; E28-R32 PolarHBondContact O-N 3.17Å; K29-R32 WeakPolarHBondContact O-CB 3.21Å; K29-R32 PolarHBondContact O-N 3.15Å; K29-R32 VanDerWaalsContact O-N 3.12Å; F30-R32 PolarHBondContact O-N 3.4Å; R32-I34 PolarHBondContact O-N 2.68Å; R32-R35 PolarHBondContact O-N 3.02Å; R32-R35 VanDerWaalsContact O-N 3.16Å; R32-D36 PolarHBondContact O-N 3.41Å |
| 33 | L | 97.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | -178 | -68.3 | 172 | 0 | 0 | 0 | 112.3 | D7 L8 C11 K29 F30 R35 D36 T39 | D7-L33 HydrophobicContact CB-CD2 4.4Å; L8-L33 HydrophobicContact CB-CD1 4.41Å; L8-L33 HydrophobicContact CD1-CB 3.93Å; L8-L33 HydrophobicContact CD1-CD1 4.35Å; C11-L33 HydrophobicContact CB-CD1 3.8Å; K29-L33 HydrophobicContact CD-CD1 4.48Å; K29-L33 HydrophobicContact CG-CD1 3.91Å; K29-L33 HydrophobicContact CG-CG 4.38Å; K29-L33 WeakPolarHBondContact O-CG 3.33Å; K29-L33 PolarHBondContact O-N 3.32Å; F30-L33 PolarHBondContact O-N 3.31Å; F30-L33 VanDerWaalsContact O-N 3.16Å; L33-R35 PolarHBondContact O-N 3.38Å; L33-R35 VanDerWaalsContact O-N 3.17Å; L33-D36 WeakPolarHBondContact O-CB 3.35Å; L33-D36 PolarHBondContact O-N 3.04Å; L33-D36 VanDerWaalsContact O-N 3.1Å; L33-T39 VanDerWaalsContact O-CB 3.27Å; L33-T39 WeakPolarHBondContact O-CB 3.5Å; L33-T39 VanDerWaalsContact O-CG2 3.29Å; L33-T39 WeakPolarHBondContact O-CG2 3.37Å; L33-T39 PolarHBondContact O-OG1 2.86Å |
| 34 | I | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.1 | 179.5 | 71 | 173 | 0 | 0 | 0 | 114 | L8 F30 R32 I40 W57 Y103 F104 C107 | L8-I34 HydrophobicContact CD1-CG2 4Å; F30-I34 HydrophobicContact CD1-CD1 4.32Å; F30-I34 HydrophobicContact CD1-CG2 4.44Å; F30-I34 HydrophobicContact CD2-CG2 4.2Å; F30-I34 HydrophobicContact CE1-CD1 3.84Å; F30-I34 HydrophobicContact CE1-CG2 4.12Å; F30-I34 HydrophobicContact CE2-CG2 3.86Å; F30-I34 HydrophobicContact CG-CG2 4.48Å; F30-I34 HydrophobicContact CZ-CD1 4.37Å; F30-I34 HydrophobicContact CZ-CG2 3.82Å; F30-I34 WeakPolarHBondContact O-CG2 3.3Å; F30-I34 PolarHBondContact O-N 2.88Å; R32-I34 PolarHBondContact O-N 2.68Å; I34-I40 WeakPolarHBondContact O-CG1 3.38Å; I34-W57 HydrophobicContact CB-CH2 4.45Å; I34-W57 HydrophobicContact CB-CZ3 4.35Å; I34-Y103 HydrophobicContact CD1-CD1 4.44Å; I34-Y103 HydrophobicContact CD1-CE1 3.75Å; I34-Y103 HydrophobicContact CG1-CE1 4.3Å; I34-F104 HydrophobicContact CD1-CD2 3.9Å; I34-C107 HydrophobicContact CD1-CB 4.49Å |
| 35 | R | 96.3 | Very high | 96.5 | Very high | 152 Ų | 152 | 65.9 Ų | 65.9 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -15.4 | 171.5 | -68.9 | -173.6 | 175.2 | 157.5 | 16.2 | 113.1 | K31 R32 L33 I40 Y103 | K31-R35 WeakPolarHBondContact O-CG 3.46Å; R32-R35 PolarHBondContact O-N 3.02Å; R32-R35 VanDerWaalsContact O-N 3.16Å; L33-R35 PolarHBondContact O-N 3.38Å; L33-R35 VanDerWaalsContact O-N 3.17Å; R35-I40 WeakPolarHBondContact O-CD1 3.29Å; R35-Y103 VanDerWaalsContact CD-OH 3.25Å; R35-Y103 WeakPolarHBondContact CD-OH 3.49Å; R35-Y103 WeakPolarHBondContact CG-OH 3.35Å; R35-Y103 PolarHBondContact NE-OH 3.43Å |
| 36 | D | 96.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | trans | -61.8 | 126.2 | -177.4 | 170.4 | 65.7 | 0 | 0 | 0 | 110 | R32 L33 E38 T39 I40 | R32-D36 PolarHBondContact O-N 3.41Å; L33-D36 WeakPolarHBondContact O-CB 3.35Å; L33-D36 PolarHBondContact O-N 3.04Å; L33-D36 VanDerWaalsContact O-N 3.1Å; D36-E38 VanDerWaalsContact C-N 3.28Å; D36-E38 PolarHBondContact O-N 2.92Å; D36-E38 PolarHBondContact OD2-N 3.28Å; D36-T39 WeakPolarHBondContact O-CB 3.14Å; D36-T39 PolarHBondContact O-N 2.78Å; D36-T39 WeakPolarHBondContact OD2-CB 3.23Å; D36-T39 PolarHBondContact OD2-N 2.92Å; D36-T39 PolarHBondContact OD2-OG1 3.47Å; D36-I40 WeakPolarHBondContact O-CG1 3.42Å; D36-I40 PolarHBondContact O-N 2.86Å | ||
| 37 | P | 96.3 | Very high | 96.2 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 61% | 0.61 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.9 | -38.5 | -175.2 | -27.1 | 35.2 | 0 | 0 | 0 | 113.7 | K41 | P37-K41 WeakPolarHBondContact O-CB 3.47Å; P37-K41 PolarHBondContact O-N 3.3Å |
| 38 | E | 96.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70 | -43.7 | 178.4 | -77.9 | -61.4 | 119.3 | 0 | 0 | 110.9 | V4 D36 I40 K41 H42 | V4-E38 HydrophobicContact CG2-CB 4.13Å; D36-E38 VanDerWaalsContact C-N 3.28Å; D36-E38 PolarHBondContact O-N 2.92Å; D36-E38 PolarHBondContact OD2-N 3.28Å; E38-I40 VanDerWaalsContact C-N 3.33Å; E38-I40 PolarHBondContact O-N 3.09Å; E38-K41 PolarHBondContact O-N 2.82Å; E38-K41 IonicContact OE1-NZ 3.83Å; E38-H42 PolarHBondContact O-N 3.41Å; E38-H42 PolarHBondContact O-ND1 3.12Å; E38-H42 IonicContact OE2-CE1 2.76Å; E38-H42 PolarHBondContact OE2-CE1 3.31Å |
| 39 | T | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 174 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | L5 L8 L33 D36 K41 H42 L43 | L5-T39 HydrophobicContact CD2-CG2 4.36Å; L8-T39 HydrophobicContact CD2-CG2 3.68Å; L33-T39 VanDerWaalsContact O-CB 3.27Å; L33-T39 WeakPolarHBondContact O-CB 3.5Å; L33-T39 VanDerWaalsContact O-CG2 3.29Å; L33-T39 WeakPolarHBondContact O-CG2 3.37Å; L33-T39 PolarHBondContact O-OG1 2.86Å; D36-T39 WeakPolarHBondContact O-CB 3.14Å; D36-T39 PolarHBondContact O-N 2.78Å; D36-T39 WeakPolarHBondContact OD2-CB 3.23Å; D36-T39 PolarHBondContact OD2-N 2.92Å; D36-T39 PolarHBondContact OD2-OG1 3.47Å; T39-K41 PolarHBondContact O-N 2.78Å; T39-H42 PolarHBondContact O-N 2.83Å; T39-L43 HydrophobicContact CG2-CD1 3.93Å; T39-L43 HydrophobicContact CG2-CG 4.32Å; T39-L43 WeakPolarHBondContact O-CG 3.47Å; T39-L43 PolarHBondContact O-N 3.49Å |
| 40 | I | 96.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 70.7 Ų | 70.7 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.8 | -51.3 | 176.3 | -75.6 | 166.3 | 0 | 0 | 0 | 111 | I34 R35 D36 E38 H42 L43 D44 W57 R111 | I34-I40 WeakPolarHBondContact O-CG1 3.38Å; R35-I40 WeakPolarHBondContact O-CD1 3.29Å; D36-I40 WeakPolarHBondContact O-CG1 3.42Å; D36-I40 PolarHBondContact O-N 2.86Å; E38-I40 VanDerWaalsContact C-N 3.33Å; E38-I40 PolarHBondContact O-N 3.09Å; I40-H42 VanDerWaalsContact C-N 3.26Å; I40-H42 PolarHBondContact O-N 2.9Å; I40-L43 PolarHBondContact O-N 3.21Å; I40-D44 WeakPolarHBondContact O-CB 3.46Å; I40-D44 VanDerWaalsContact O-CG 3.31Å; I40-D44 PolarHBondContact O-N 3.36Å; I40-W57 HydrophobicContact CG1-CH2 4.44Å; I40-W57 HydrophobicContact CG1-CZ2 4.26Å; I40-R111 VanDerWaalsContact CG2-NH1 3.27Å |
| 41 | K | 95.4 | Very high | 93.2 | Very high | 131 Ų | 131 | 77 Ų | 77 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.4 | -41.2 | -177.7 | 178.8 | -176.8 | 175.1 | -173.7 | 0 | 111.7 | P37 E38 T39 R45 | P37-K41 WeakPolarHBondContact O-CB 3.47Å; P37-K41 PolarHBondContact O-N 3.3Å; E38-K41 PolarHBondContact O-N 2.82Å; E38-K41 IonicContact OE1-NZ 3.83Å; T39-K41 PolarHBondContact O-N 2.78Å; K41-R45 WeakPolarHBondContact O-CB 3.46Å; K41-R45 PolarHBondContact O-N 3.2Å |
| 42 | H | 95.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 77.5 Ų | 77.5 | 21% | 0.208 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 177.6 | -68.3 | 87 | 0 | 0 | 0 | 112.3 | S2 L5 E38 T39 I40 D44 R45 H46 | S2-H42 PolarHBondContact OG-CE1 3.32Å; S2-H42 PolarHBondContact OG-NE2 2.88Å; L5-H42 HydrophobicContact CD1-CB 3.51Å; L5-H42 HydrophobicContact CD2-CB 3.93Å; L5-H42 HydrophobicContact CG-CB 3.75Å; E38-H42 PolarHBondContact O-N 3.41Å; E38-H42 PolarHBondContact O-ND1 3.12Å; E38-H42 IonicContact OE2-CE1 2.76Å; E38-H42 PolarHBondContact OE2-CE1 3.31Å; T39-H42 PolarHBondContact O-N 2.83Å; I40-H42 VanDerWaalsContact C-N 3.26Å; I40-H42 PolarHBondContact O-N 2.9Å; H42-D44 VanDerWaalsContact C-N 3.3Å; H42-D44 PolarHBondContact O-N 2.65Å; H42-R45 PolarHBondContact O-N 2.91Å; H42-H46 WeakPolarHBondContact O-CB 3.36Å; H42-H46 PolarHBondContact O-CD2 2.75Å; H42-H46 PolarHBondContact O-N 3.07Å; H42-H46 PolarHBondContact O-ND1 2.99Å |
| 43 | L | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 177.2 | -70 | 176.9 | 0 | 0 | 0 | 111.6 | L5 L8 T39 I40 H46 S47 L55 W57 V60 | L5-L43 HydrophobicContact CD2-CD2 3.9Å; L5-L43 HydrophobicContact CD2-CG 4.04Å; L8-L43 HydrophobicContact CD2-CD1 3.85Å; L8-L43 HydrophobicContact CD2-CD2 4.26Å; L8-L43 HydrophobicContact CD2-CG 4.43Å; T39-L43 HydrophobicContact CG2-CD1 3.93Å; T39-L43 HydrophobicContact CG2-CG 4.32Å; T39-L43 WeakPolarHBondContact O-CG 3.47Å; T39-L43 PolarHBondContact O-N 3.49Å; I40-L43 PolarHBondContact O-N 3.21Å; L43-H46 PolarHBondContact O-N 3.38Å; L43-S47 WeakPolarHBondContact O-CB 3.32Å; L43-S47 PolarHBondContact O-N 3.05Å; L43-S47 PolarHBondContact O-OG 2.87Å; L43-L55 HydrophobicContact CD2-CD2 4.5Å; L43-L55 HydrophobicContact CD2-CG 4.19Å; L43-W57 HydrophobicContact CB-CD2 4.03Å; L43-W57 HydrophobicContact CB-CG 4.23Å; L43-W57 HydrophobicContact CB-CZ2 4.01Å; L43-W57 HydrophobicContact CD1-CD2 3.92Å; L43-W57 HydrophobicContact CD1-CE3 3.86Å; L43-W57 HydrophobicContact CD1-CH2 3.68Å; L43-W57 HydrophobicContact CD1-CZ2 3.73Å; L43-W57 HydrophobicContact CD1-CZ3 3.75Å; L43-V60 HydrophobicContact CD2-CG2 3.98Å |
| 44 | D | 95.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 81.8 Ų | 81.8 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -55.2 | 175.7 | -76 | -7.9 | 0 | 0 | 0 | 109.9 | I40 H42 H46 S47 D48 W57 R111 R114 | I40-D44 WeakPolarHBondContact O-CB 3.46Å; I40-D44 VanDerWaalsContact O-CG 3.31Å; I40-D44 PolarHBondContact O-N 3.36Å; H42-D44 VanDerWaalsContact C-N 3.3Å; H42-D44 PolarHBondContact O-N 2.65Å; D44-H46 VanDerWaalsContact C-N 3.26Å; D44-H46 PolarHBondContact O-N 3.43Å; D44-S47 PolarHBondContact O-N 3.22Å; D44-D48 PolarHBondContact O-N 3.06Å; D44-W57 PolarHBondContact OD1-NE1 3.16Å; D44-R111 IonicContact OD1-NE 3.89Å; D44-R111 WeakPolarHBondContact OD2-CD 3.37Å; D44-R111 IonicContact OD2-CZ 3.83Å; D44-R111 IonicContact OD2-NE 2.98Å; D44-R111 PolarHBondContact OD2-NE 3.4Å; D44-R114 VanDerWaalsContact CB-NH1 3.33Å; D44-R114 PolarHBondContact O-NH1 2.87Å; D44-R114 IonicContact OD1-NH1 3.83Å |
| 45 | R | 93.9 | Very high | 90.6 | Very high | 193 Ų | 193 | 82.9 Ų | 82.9 | 73% | 0.728 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.9 | -40.4 | 178.3 | -177.9 | 177.8 | 176.7 | 153.4 | 1.2 | 112.8 | K41 H42 S49 | K41-R45 WeakPolarHBondContact O-CB 3.46Å; K41-R45 PolarHBondContact O-N 3.2Å; H42-R45 PolarHBondContact O-N 2.91Å; R45-S49 PolarHBondContact O-N 3.25Å |
| 46 | H | 94.4 | Very high | 90.5 | Very high | 27 Ų | 27 | 76.7 Ų | 76.7 | 13% | 0.125 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74 | -29.7 | 179.7 | -66 | 172 | 0 | 0 | 0 | 113.1 | L5 H42 L43 D44 D48 S49 Y54 L55 N56 | L5-H46 WeakPolarHBondContact CD1-CE1 3.36Å; H42-H46 WeakPolarHBondContact O-CB 3.36Å; H42-H46 PolarHBondContact O-CD2 2.75Å; H42-H46 PolarHBondContact O-N 3.07Å; H42-H46 PolarHBondContact O-ND1 2.99Å; L43-H46 PolarHBondContact O-N 3.38Å; D44-H46 VanDerWaalsContact C-N 3.26Å; D44-H46 PolarHBondContact O-N 3.43Å; H46-D48 VanDerWaalsContact C-N 3.34Å; H46-S49 PolarHBondContact O-N 2.72Å; H46-Y54 VanDerWaalsContact CE1-CB 3.46Å; H46-Y54 WeakPolarHBondContact CE1-CB 3.43Å; H46-Y54 AromaticContact CE1-CG 3.88Å; H46-Y54 VanDerWaalsContact ND1-CB 3.29Å; H46-Y54 WeakPolarHBondContact ND1-CB 3.48Å; H46-Y54 AromaticContact NE2-CG 3.99Å; H46-L55 WeakPolarHBondContact CB-O 3.26Å; H46-L55 PolarHBondContact ND1-O 2.89Å; H46-N56 HydrophobicContact CB-CB 4.03Å |
| 47 | S | 93.1 | Very high | 90.5 | Very high | 29 Ų | 29 | 74.2 Ų | 74.2 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -74.1 | -28.6 | 175.9 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | L43 D44 S49 W57 | L43-S47 WeakPolarHBondContact O-CB 3.32Å; L43-S47 PolarHBondContact O-N 3.05Å; L43-S47 PolarHBondContact O-OG 2.87Å; D44-S47 PolarHBondContact O-N 3.22Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-W57 VanDerWaalsContact OG-CD1 3.25Å; S47-W57 PolarHBondContact OG-N 3.35Å |
| 48 | D | 90.6 | Very high | 90.4 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -80.1 | -15.9 | 174.6 | -60.7 | -31.6 | 0 | 0 | 0 | 112.7 | D44 H46 R114 | D44-D48 PolarHBondContact O-N 3.06Å; H46-D48 VanDerWaalsContact C-N 3.34Å; D48-R114 IonicContact OD1-CZ 3.13Å; D48-R114 IonicContact OD1-NE 3.72Å; D48-R114 IonicContact OD1-NH1 2.9Å; D48-R114 PolarHBondContact OD1-NH1 3.07Å; D48-R114 IonicContact OD1-NH2 3.41Å; D48-R114 PolarHBondContact OD1-NH2 2.8Å; D48-R114 IonicContact OD2-CZ 3.14Å; D48-R114 IonicContact OD2-NH1 2.83Å; D48-R114 PolarHBondContact OD2-NH1 3.04Å; D48-R114 IonicContact OD2-NH2 2.78Å; D48-R114 PolarHBondContact OD2-NH2 3.18Å |
| 49 | S | 87.3 | Confident | 90.4 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | trans | -77.2 | 134.4 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | R45 H46 S47 Q51 | R45-S49 PolarHBondContact O-N 3.25Å; H46-S49 PolarHBondContact O-N 2.72Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S49-Q51 PolarHBondContact O-N 2.91Å; S49-Q51 PolarHBondContact OG-N 2.93Å; S49-Q51 VanDerWaalsContact OG-N 3.11Å | ||
| 50 | K | 75 | Confident | 90.4 | Very high | 216 Ų | 216 | 66.8 Ų | 66.8 | 94% | 0.939 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -67 | -15.6 | 169.5 | -64.9 | -174.6 | 178.7 | -178 | 0 | 112.8 | G52 | K50-G52 PolarHBondContact O-N 3.45Š|
| 51 | Q | 71.3 | Confident | 90.4 | Very high | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 32% | 0.322 | S | S | * | . | trans | -90.6 | 98.3 | 178.9 | -62.7 | -173.8 | -8.4 | 0 | 0 | 110 | S49 K53 | S49-Q51 PolarHBondContact O-N 2.91Å; S49-Q51 PolarHBondContact OG-N 2.93Å; S49-Q51 VanDerWaalsContact OG-N 3.11Å; Q51-K53 PolarHBondContact O-N 3.44Å | ||
| 52 | G | 71.3 | Confident | 90.4 | Very high | 70 Ų | 70 | 65.4 Ų | 65.4 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 27.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K50 | K50-G52 PolarHBondContact O-N 3.45Š|
| 53 | K | 81.1 | Confident | 90.5 | Very high | 174 Ų | 174 | 65.1 Ų | 65.1 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -22 | -174.4 | -170.2 | 174.7 | -179.6 | 177.7 | 0 | 113.3 | Q51 | Q51-K53 PolarHBondContact O-N 3.44Š|
| 54 | Y | 88.4 | Confident | 90.4 | Very high | 122 Ų | 122 | 65.1 Ų | 65.1 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -108.1 | 157.9 | -173.8 | -57.8 | -72.5 | 0 | 0 | 0 | 112.5 | H46 N56 | H46-Y54 VanDerWaalsContact CE1-CB 3.46Å; H46-Y54 WeakPolarHBondContact CE1-CB 3.43Å; H46-Y54 AromaticContact CE1-CG 3.88Å; H46-Y54 VanDerWaalsContact ND1-CB 3.29Å; H46-Y54 WeakPolarHBondContact ND1-CB 3.48Å; H46-Y54 AromaticContact NE2-CG 3.99Å; Y54-N56 PolarHBondContact O-N 3.42Å |
| 55 | L | 94.2 | Very high | 90.3 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | trans | -58.1 | 124.4 | 172 | -173.3 | 69.4 | 0 | 0 | 0 | 109.5 | L5 L8 L9 L43 H46 A59 V60 F63 | L5-L55 HydrophobicContact CD2-CD2 4.49Å; L8-L55 HydrophobicContact CB-CD2 4.37Å; L8-L55 HydrophobicContact CD2-CD2 4.02Å; L8-L55 HydrophobicContact CG-CD2 4.1Å; L9-L55 HydrophobicContact CB-CD2 4.12Å; L9-L55 HydrophobicContact CD1-CD1 4.25Å; L43-L55 HydrophobicContact CD2-CD2 4.5Å; L43-L55 HydrophobicContact CD2-CG 4.19Å; H46-L55 WeakPolarHBondContact CB-O 3.26Å; H46-L55 PolarHBondContact ND1-O 2.89Å; L55-A59 HydrophobicContact CD1-CB 3.86Å; L55-V60 HydrophobicContact CD1-CG2 3.79Å; L55-V60 HydrophobicContact CD2-CG2 4.06Å; L55-V60 HydrophobicContact CG-CG2 3.83Å; L55-F63 HydrophobicContact CD1-CE2 4.45Å | ||
| 56 | N | 95.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | trans | -133.9 | 177 | -179 | 65.4 | 17.9 | 0 | 0 | 0 | 110.2 | H46 Y54 D58 A59 V60 | H46-N56 HydrophobicContact CB-CB 4.03Å; Y54-N56 PolarHBondContact O-N 3.42Å; N56-D58 VanDerWaalsContact C-N 3.35Å; N56-D58 PolarHBondContact O-N 3.21Å; N56-D58 PolarHBondContact OD1-N 2.78Å; N56-A59 PolarHBondContact O-N 2.93Å; N56-A59 VanDerWaalsContact OD1-CB 3.32Å; N56-A59 WeakPolarHBondContact OD1-CB 3.44Å; N56-A59 PolarHBondContact OD1-N 3.38Å; N56-V60 WeakPolarHBondContact O-CG2 3.34Å; N56-V60 PolarHBondContact O-N 3.19Å | ||
| 57 | W | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | -175.9 | -74.5 | 114.6 | 0 | 0 | 0 | 113.2 | I34 I40 L43 D44 S47 A59 V60 F61 F104 A108 R114 L115 | I34-W57 HydrophobicContact CB-CH2 4.45Å; I34-W57 HydrophobicContact CB-CZ3 4.35Å; I40-W57 HydrophobicContact CG1-CH2 4.44Å; I40-W57 HydrophobicContact CG1-CZ2 4.26Å; L43-W57 HydrophobicContact CB-CD2 4.03Å; L43-W57 HydrophobicContact CB-CG 4.23Å; L43-W57 HydrophobicContact CB-CZ2 4.01Å; L43-W57 HydrophobicContact CD1-CD2 3.92Å; L43-W57 HydrophobicContact CD1-CE3 3.86Å; L43-W57 HydrophobicContact CD1-CH2 3.68Å; L43-W57 HydrophobicContact CD1-CZ2 3.73Å; L43-W57 HydrophobicContact CD1-CZ3 3.75Å; D44-W57 PolarHBondContact OD1-NE1 3.16Å; S47-W57 VanDerWaalsContact OG-CD1 3.25Å; S47-W57 PolarHBondContact OG-N 3.35Å; W57-A59 PolarHBondContact O-N 2.86Å; W57-V60 PolarHBondContact O-N 3.31Å; W57-F61 WeakPolarHBondContact O-CB 3.33Å; W57-F61 PolarHBondContact O-N 3.49Å; W57-F104 AromaticContact CE3-CE2 3.72Å; W57-F104 HydrophobicContact CE3-CE2 3.72Å; W57-F104 AromaticContact CE3-CZ 3.71Å; W57-F104 HydrophobicContact CE3-CZ 3.71Å; W57-F104 HydrophobicContact CZ3-CD2 4.41Å; W57-F104 AromaticContact CZ3-CE2 3.78Å; W57-F104 HydrophobicContact CZ3-CE2 3.78Å; W57-F104 HydrophobicContact CZ3-CZ 4.23Å; W57-A108 HydrophobicContact CB-CB 4.35Å; W57-A108 HydrophobicContact CD2-CB 3.67Å; W57-A108 HydrophobicContact CE3-CB 3.6Å; W57-A108 HydrophobicContact CG-CB 4.01Å; W57-A108 HydrophobicContact CZ3-CB 4.13Å; W57-R114 HydrophobicContact CB-CB 4.47Å; W57-R114 HydrophobicContact CG-CB 4.29Å; W57-L115 HydrophobicContact CB-CD2 3.85Å |
| 58 | D | 95.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.3 | -64.5 | -56.3 | 0 | 0 | 0 | 112.5 | N56 F61 R62 L115 K116 | N56-D58 VanDerWaalsContact C-N 3.35Å; N56-D58 PolarHBondContact O-N 3.21Å; N56-D58 PolarHBondContact OD1-N 2.78Å; D58-F61 PolarHBondContact O-N 3.44Å; D58-R62 WeakPolarHBondContact O-CG 3.24Å; D58-R62 PolarHBondContact O-N 3.22Å; D58-L115 WeakPolarHBondContact OD1-CA 3.27Å; D58-K116 PolarHBondContact OD1-N 2.97Å; D58-K116 WeakPolarHBondContact OD2-CE 3.38Å; D58-K116 WeakPolarHBondContact OD2-CG 3.4Å |
| 59 | A | 95.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L55 N56 W57 F61 R62 F63 | L55-A59 HydrophobicContact CD1-CB 3.86Å; N56-A59 PolarHBondContact O-N 2.93Å; N56-A59 VanDerWaalsContact OD1-CB 3.32Å; N56-A59 WeakPolarHBondContact OD1-CB 3.44Å; N56-A59 PolarHBondContact OD1-N 3.38Å; W57-A59 PolarHBondContact O-N 2.86Å; A59-F61 VanDerWaalsContact C-N 3.33Å; A59-R62 PolarHBondContact O-N 3.49Å; A59-F63 WeakPolarHBondContact O-CD2 3.32Å; A59-F63 PolarHBondContact O-N 3.41Å |
| 60 | V | 97.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | L8 F30 L43 L55 N56 W57 R62 F63 L64 F104 | L8-V60 HydrophobicContact CD2-CG2 3.91Å; F30-V60 HydrophobicContact CE2-CG1 3.53Å; F30-V60 HydrophobicContact CZ-CG1 3.8Å; L43-V60 HydrophobicContact CD2-CG2 3.98Å; L55-V60 HydrophobicContact CD1-CG2 3.79Å; L55-V60 HydrophobicContact CD2-CG2 4.06Å; L55-V60 HydrophobicContact CG-CG2 3.83Å; N56-V60 WeakPolarHBondContact O-CG2 3.34Å; N56-V60 PolarHBondContact O-N 3.19Å; W57-V60 PolarHBondContact O-N 3.31Å; V60-R62 VanDerWaalsContact C-N 3.32Å; V60-R62 PolarHBondContact O-N 2.98Å; V60-F63 PolarHBondContact O-N 3.34Å; V60-L64 PolarHBondContact O-N 3.02Å; V60-L64 VanDerWaalsContact O-N 3.08Å; V60-F104 HydrophobicContact CB-CE2 4.12Å; V60-F104 HydrophobicContact CB-CZ 4.15Å; V60-F104 HydrophobicContact CG1-CE2 3.53Å; V60-F104 HydrophobicContact CG1-CZ 4.03Å |
| 61 | F | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.5 | -169.4 | -132.9 | 0 | 0 | 0 | 112.2 | W57 D58 A59 F63 L64 Q65 V101 F104 L115 E119 L120 Y123 | W57-F61 WeakPolarHBondContact O-CB 3.33Å; W57-F61 PolarHBondContact O-N 3.49Å; D58-F61 PolarHBondContact O-N 3.44Å; A59-F61 VanDerWaalsContact C-N 3.33Å; F61-F63 VanDerWaalsContact C-N 3.34Å; F61-F63 PolarHBondContact O-N 3.26Å; F61-L64 HydrophobicContact CD2-CD2 4.34Å; F61-L64 CarbonylContact O-C 3.56Å; F61-L64 WeakPolarHBondContact O-CA 3.29Å; F61-L64 WeakPolarHBondContact O-CB 3.46Å; F61-L64 PolarHBondContact O-N 3.18Å; F61-Q65 HydrophobicContact CD1-CG 4.44Å; F61-Q65 HydrophobicContact CE1-CG 4.22Å; F61-Q65 HydrophobicContact CE2-CG 4.32Å; F61-Q65 HydrophobicContact CZ-CG 4.16Å; F61-Q65 WeakPolarHBondContact O-CG 3.45Å; F61-Q65 PolarHBondContact O-N 2.86Å; F61-V101 HydrophobicContact CE2-CG1 4.19Å; F61-F104 HydrophobicContact CB-CE1 3.57Å; F61-F104 HydrophobicContact CB-CZ 3.89Å; F61-F104 AromaticContact CD2-CD1 3.59Å; F61-F104 HydrophobicContact CD2-CD1 3.59Å; F61-F104 AromaticContact CD2-CE1 3.43Å; F61-F104 HydrophobicContact CD2-CE1 3.43Å; F61-F104 VanDerWaalsContact CD2-CE1 3.43Å; F61-F104 HydrophobicContact CD2-CZ 4.39Å; F61-F104 HydrophobicContact CE2-CD1 4.23Å; F61-F104 HydrophobicContact CE2-CE1 4.42Å; F61-F104 HydrophobicContact CG-CD1 4.38Å; F61-F104 AromaticContact CG-CE1 3.78Å; F61-F104 HydrophobicContact CG-CE1 3.78Å; F61-L115 HydrophobicContact CB-CD2 4.02Å; F61-L115 HydrophobicContact CG-CD2 4.35Å; F61-E119 HydrophobicContact CD1-CB 4.04Å; F61-E119 HydrophobicContact CE1-CB 4.25Å; F61-L120 HydrophobicContact CE1-CD2 4.03Å; F61-L120 HydrophobicContact CZ-CD2 4.08Å; F61-Y123 HydrophobicContact CZ-CD1 4.47Å; F61-Y123 HydrophobicContact CZ-CG 4.04Å |
| 62 | R | 95.2 | Very high | 91.6 | Very high | 125 Ų | 125 | 44.6 Ų | 44.6 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 174.9 | -74 | -178.9 | -68.7 | 165 | -2.5 | 113.4 | D58 A59 V60 L64 Q65 K66 | D58-R62 WeakPolarHBondContact O-CG 3.24Å; D58-R62 PolarHBondContact O-N 3.22Å; A59-R62 PolarHBondContact O-N 3.49Å; V60-R62 VanDerWaalsContact C-N 3.32Å; V60-R62 PolarHBondContact O-N 2.98Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-Q65 PolarHBondContact O-N 3.41Å; R62-K66 WeakPolarHBondContact O-CG 3.47Å; R62-K66 PolarHBondContact O-N 2.87Å; R62-K66 VanDerWaalsContact O-N 3.14Å |
| 63 | F | 96 | Very high | 92.4 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 17% | 0.167 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 171.5 | -73.9 | -71.5 | 0 | 0 | 0 | 111.9 | L9 C12 R13 L55 A59 V60 F61 K66 Y67 | L9-F63 HydrophobicContact CD1-CE2 4.09Å; L9-F63 HydrophobicContact CD1-CZ 4.19Å; C12-F63 HydrophobicContact CB-CB 3.82Å; C12-F63 HydrophobicContact CB-CD1 4.12Å; C12-F63 HydrophobicContact CB-CD2 3.65Å; C12-F63 HydrophobicContact CB-CE2 4.21Å; C12-F63 HydrophobicContact CB-CG 3.61Å; R13-F63 HydrophobicContact CG-CE1 4.23Å; R13-F63 HydrophobicContact CG-CZ 4.47Å; L55-F63 HydrophobicContact CD1-CE2 4.45Å; A59-F63 WeakPolarHBondContact O-CD2 3.32Å; A59-F63 PolarHBondContact O-N 3.41Å; V60-F63 PolarHBondContact O-N 3.34Å; F61-F63 VanDerWaalsContact C-N 3.34Å; F61-F63 PolarHBondContact O-N 3.26Å; F63-K66 PolarHBondContact O-N 2.7Å; F63-Y67 PolarHBondContact O-N 2.98Å |
| 64 | L | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 176.5 | -179 | 61.2 | 0 | 0 | 0 | 112 | F30 V60 F61 R62 K66 Y67 I68 L100 V101 F104 | F30-L64 HydrophobicContact CE1-CD1 4.44Å; V60-L64 PolarHBondContact O-N 3.02Å; V60-L64 VanDerWaalsContact O-N 3.08Å; F61-L64 HydrophobicContact CD2-CD2 4.34Å; F61-L64 CarbonylContact O-C 3.56Å; F61-L64 WeakPolarHBondContact O-CA 3.29Å; F61-L64 WeakPolarHBondContact O-CB 3.46Å; F61-L64 PolarHBondContact O-N 3.18Å; R62-L64 VanDerWaalsContact C-N 3.35Å; L64-K66 PolarHBondContact O-N 2.76Å; L64-Y67 HydrophobicContact CD1-CD1 4.03Å; L64-Y67 WeakPolarHBondContact O-CB 3.2Å; L64-Y67 PolarHBondContact O-N 3.14Å; L64-I68 HydrophobicContact CD1-CD1 4.48Å; L64-I68 HydrophobicContact CG-CD1 4.09Å; L64-I68 WeakPolarHBondContact O-CD1 3.28Å; L64-I68 VanDerWaalsContact O-CG1 3.23Å; L64-I68 WeakPolarHBondContact O-CG1 3.45Å; L64-I68 PolarHBondContact O-N 3.36Å; L64-L100 HydrophobicContact CD1-CD2 3.58Å; L64-L100 HydrophobicContact CD1-CG 3.88Å; L64-V101 HydrophobicContact CD2-CG2 4.38Å; L64-F104 HydrophobicContact CD2-CB 3.62Å; L64-F104 HydrophobicContact CD2-CD1 4.07Å; L64-F104 HydrophobicContact CD2-CD2 4.2Å; L64-F104 HydrophobicContact CD2-CG 3.68Å |
| 65 | Q | 92.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.3 | -72.1 | 169.5 | -45.8 | 0 | 0 | 111.7 | F61 R62 Y67 I68 Q69 E119 Y123 | F61-Q65 HydrophobicContact CD1-CG 4.44Å; F61-Q65 HydrophobicContact CE1-CG 4.22Å; F61-Q65 HydrophobicContact CE2-CG 4.32Å; F61-Q65 HydrophobicContact CZ-CG 4.16Å; F61-Q65 WeakPolarHBondContact O-CG 3.45Å; F61-Q65 PolarHBondContact O-N 2.86Å; R62-Q65 PolarHBondContact O-N 3.41Å; Q65-Y67 VanDerWaalsContact C-N 3.34Å; Q65-Y67 PolarHBondContact O-N 2.89Å; Q65-I68 WeakPolarHBondContact O-CB 3.33Å; Q65-I68 PolarHBondContact O-N 3.16Å; Q65-Q69 WeakPolarHBondContact O-CG 3.41Å; Q65-Q69 PolarHBondContact O-N 3.06Å; Q65-E119 PolarHBondContact NE2-O 3.41Å; Q65-Y123 HydrophobicContact CG-CD2 4.17Å |
| 66 | K | 93.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.9 | -70.2 | 178.6 | 178.2 | -171.1 | 0 | 112.9 | E16 R62 F63 L64 I68 Q69 K70 | E16-K66 HydrophobicContact CG-CB 4.23Å; E16-K66 WeakPolarHBondContact OE1-CD 3.2Å; E16-K66 IonicContact OE1-NZ 3.71Å; R62-K66 WeakPolarHBondContact O-CG 3.47Å; R62-K66 PolarHBondContact O-N 2.87Å; R62-K66 VanDerWaalsContact O-N 3.14Å; F63-K66 PolarHBondContact O-N 2.7Å; L64-K66 PolarHBondContact O-N 2.76Å; K66-I68 VanDerWaalsContact C-N 3.35Å; K66-Q69 PolarHBondContact O-N 2.96Å; K66-K70 WeakPolarHBondContact O-CB 3.42Å; K66-K70 PolarHBondContact O-N 3.41Å |
| 67 | Y | 94.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 173.3 | 166.9 | -106.1 | 0 | 0 | 0 | 111.8 | L15 R23 V27 F63 L64 Q65 Q69 K70 E71 L100 | L15-Y67 HydrophobicContact CB-CD2 4.19Å; L15-Y67 HydrophobicContact CB-CG 4.29Å; L15-Y67 WeakPolarHBondContact O-CD2 3.48Å; R23-Y67 HydrophobicContact CB-CE2 4.02Å; V27-Y67 HydrophobicContact CG2-CE1 3.79Å; V27-Y67 HydrophobicContact CG2-CE2 3.91Å; V27-Y67 VanDerWaalsContact CG2-CZ 3.45Å; F63-Y67 PolarHBondContact O-N 2.98Å; L64-Y67 HydrophobicContact CD1-CD1 4.03Å; L64-Y67 WeakPolarHBondContact O-CB 3.2Å; L64-Y67 PolarHBondContact O-N 3.14Å; Q65-Y67 VanDerWaalsContact C-N 3.34Å; Q65-Y67 PolarHBondContact O-N 2.89Å; Y67-Q69 PolarHBondContact O-N 3.47Å; Y67-K70 PolarHBondContact O-N 3.21Å; Y67-E71 HydrophobicContact CD2-CG 4.04Å; Y67-E71 HydrophobicContact CE1-CG 4.06Å; Y67-E71 HydrophobicContact CE2-CG 3.4Å; Y67-E71 VanDerWaalsContact CE2-CG 3.4Å; Y67-E71 VanDerWaalsContact CE2-OE1 3.29Å; Y67-E71 WeakPolarHBondContact CE2-OE1 3.43Å; Y67-E71 VanDerWaalsContact CZ-CG 3.42Å; Y67-E71 WeakPolarHBondContact O-CG 3.36Å; Y67-E71 PolarHBondContact O-N 3.49Å; Y67-L100 HydrophobicContact CD1-CD2 4.31Å; Y67-L100 HydrophobicContact CE1-CD2 3.95Å |
| 68 | I | 90.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 179.1 | -64.5 | 156.9 | 0 | 0 | 0 | 110.7 | L64 Q65 K66 K70 E71 T72 I97 V101 Y123 | L64-I68 HydrophobicContact CD1-CD1 4.48Å; L64-I68 HydrophobicContact CG-CD1 4.09Å; L64-I68 WeakPolarHBondContact O-CD1 3.28Å; L64-I68 VanDerWaalsContact O-CG1 3.23Å; L64-I68 WeakPolarHBondContact O-CG1 3.45Å; L64-I68 PolarHBondContact O-N 3.36Å; Q65-I68 WeakPolarHBondContact O-CB 3.33Å; Q65-I68 PolarHBondContact O-N 3.16Å; K66-I68 VanDerWaalsContact C-N 3.35Å; I68-K70 VanDerWaalsContact C-N 3.32Å; I68-K70 PolarHBondContact O-N 3.2Å; I68-E71 PolarHBondContact O-N 3.43Å; I68-T72 VanDerWaalsContact O-CB 3.32Å; I68-T72 WeakPolarHBondContact O-CB 3.41Å; I68-T72 PolarHBondContact O-N 2.86Å; I68-T72 PolarHBondContact O-OG1 3.21Å; I68-I97 HydrophobicContact CB-CG2 4.16Å; I68-I97 HydrophobicContact CG1-CG2 3.69Å; I68-I97 HydrophobicContact CG2-CG2 3.84Å; I68-V101 HydrophobicContact CD1-CG2 3.17Å; I68-V101 HydrophobicContact CG1-CG2 4.22Å; I68-Y123 HydrophobicContact CD1-CE2 3.77Å |
| 69 | Q | 88.3 | Confident | 89.4 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.7 | -72.3 | 173.4 | -12.5 | 0 | 0 | 110.9 | Q65 K66 Y67 E71 T72 E73 | Q65-Q69 WeakPolarHBondContact O-CG 3.41Å; Q65-Q69 PolarHBondContact O-N 3.06Å; K66-Q69 PolarHBondContact O-N 2.96Å; Y67-Q69 PolarHBondContact O-N 3.47Å; Q69-E71 PolarHBondContact O-N 2.83Å; Q69-T72 PolarHBondContact O-N 3.33Å; Q69-E73 WeakPolarHBondContact O-CB 3.39Å; Q69-E73 PolarHBondContact O-N 2.93Å |
| 70 | K | 91.6 | Very high | 88.2 | Confident | 58 Ų | 58 | 59 Ų | 59 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.5 | -172.1 | 160.5 | -172.5 | 152 | 0 | 112.6 | E16 D18 K66 Y67 I68 C74 | E16-K70 WeakPolarHBondContact O-CE 3.38Å; E16-K70 PolarHBondContact O-NZ 3.32Å; D18-K70 IonicContact OD1-NZ 3.34Å; D18-K70 PolarHBondContact OD1-NZ 3.42Å; K66-K70 WeakPolarHBondContact O-CB 3.42Å; K66-K70 PolarHBondContact O-N 3.41Å; Y67-K70 PolarHBondContact O-N 3.21Å; I68-K70 VanDerWaalsContact C-N 3.32Å; I68-K70 PolarHBondContact O-N 3.2Å; K70-C74 WeakPolarHBondContact O-CB 3.4Å; K70-C74 PolarHBondContact O-N 3.46Å; K70-C74 PolarHBondContact O-SG 3.48Å |
| 71 | E | 89.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.6 | -72 | -61.5 | 162.5 | 0 | 0 | 112.7 | R23 Y67 I68 Q69 C74 L75 K93 I97 | R23-E71 IonicContact CZ-OE1 3.49Å; R23-E71 IonicContact NE-OE1 3.87Å; R23-E71 PolarHBondContact NE-OE1 3.06Å; R23-E71 IonicContact NH2-OE1 3.41Å; R23-E71 PolarHBondContact NH2-OE1 3.25Å; R23-E71 VanDerWaalsContact NH2-OE1 3.12Å; R23-E71 IonicContact NH2-OE2 2.76Å; R23-E71 PolarHBondContact NH2-OE2 3.08Å; Y67-E71 HydrophobicContact CD2-CG 4.04Å; Y67-E71 HydrophobicContact CE1-CG 4.06Å; Y67-E71 HydrophobicContact CE2-CG 3.4Å; Y67-E71 VanDerWaalsContact CE2-CG 3.4Å; Y67-E71 VanDerWaalsContact CE2-OE1 3.29Å; Y67-E71 WeakPolarHBondContact CE2-OE1 3.43Å; Y67-E71 VanDerWaalsContact CZ-CG 3.42Å; Y67-E71 WeakPolarHBondContact O-CG 3.36Å; Y67-E71 PolarHBondContact O-N 3.49Å; I68-E71 PolarHBondContact O-N 3.43Å; Q69-E71 PolarHBondContact O-N 2.83Å; E71-C74 WeakPolarHBondContact O-CB 3.35Å; E71-C74 PolarHBondContact O-N 3.38Å; E71-L75 WeakPolarHBondContact O-CG 3.39Å; E71-L75 PolarHBondContact O-N 3.28Å; E71-K93 WeakPolarHBondContact OE2-CE 3.47Å; E71-K93 IonicContact OE2-NZ 3.12Å; E71-K93 PolarHBondContact OE2-NZ 3.29Å; E71-I97 HydrophobicContact CB-CD1 3.49Å; E71-I97 VanDerWaalsContact CB-CD1 3.49Å; E71-I97 HydrophobicContact CB-CG1 4.41Å; E71-I97 HydrophobicContact CG-CD1 4.02Å |
| 72 | T | 85.8 | Confident | 86.7 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 10% | 0.104 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 178.2 | -55 | 0 | 0 | 0 | 0 | 110.5 | I68 Q69 C74 L75 R76 N133 | I68-T72 VanDerWaalsContact O-CB 3.32Å; I68-T72 WeakPolarHBondContact O-CB 3.41Å; I68-T72 PolarHBondContact O-N 2.86Å; I68-T72 PolarHBondContact O-OG1 3.21Å; Q69-T72 PolarHBondContact O-N 3.33Å; T72-C74 VanDerWaalsContact C-N 3.35Å; T72-C74 PolarHBondContact O-N 3.04Å; T72-L75 WeakPolarHBondContact O-CB 3.42Å; T72-L75 PolarHBondContact O-N 3.44Å; T72-L75 VanDerWaalsContact O-N 3.13Å; T72-R76 PolarHBondContact O-N 2.81Å; T72-N133 WeakPolarHBondContact CG2-ND2 3.34Å |
| 73 | E | 86.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.8 | -177.8 | 56.8 | -154.6 | 0 | 0 | 112.1 | Q69 L75 R76 I77 | Q69-E73 WeakPolarHBondContact O-CB 3.39Å; Q69-E73 PolarHBondContact O-N 2.93Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.3Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.07Å; E73-R76 VanDerWaalsContact O-N 3.14Å; E73-R76 IonicContact OE1-CZ 2.61Å; E73-R76 IonicContact OE1-NE 2.79Å; E73-R76 IonicContact OE1-NH2 3.18Å; E73-R76 PolarHBondContact OE1-NH2 3.25Å; E73-R76 IonicContact OE2-CZ 3.36Å; E73-R76 IonicContact OE2-NE 3.5Å; E73-R76 PolarHBondContact OE2-NE 3.46Å; E73-R76 IonicContact OE2-NH2 2.62Å; E73-R76 PolarHBondContact OE2-NH2 2.97Å; E73-I77 HydrophobicContact CG-CD1 4.08Å; E73-I77 WeakPolarHBondContact O-CG1 3.15Å; E73-I77 PolarHBondContact O-N 2.89Å; E73-I77 VanDerWaalsContact OE1-CD1 3.26Å; E73-I77 WeakPolarHBondContact OE1-CD1 3.32Å; E73-I77 WeakPolarHBondContact OE1-CG1 3.13Å |
| 74 | C | 87.2 | Confident | 86 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 175.2 | -73 | 0 | 0 | 0 | 0 | 112.3 | K70 E71 T72 | K70-C74 WeakPolarHBondContact O-CB 3.4Å; K70-C74 PolarHBondContact O-N 3.46Å; K70-C74 PolarHBondContact O-SG 3.48Å; E71-C74 WeakPolarHBondContact O-CB 3.35Å; E71-C74 PolarHBondContact O-N 3.38Å; T72-C74 VanDerWaalsContact C-N 3.35Å; T72-C74 PolarHBondContact O-N 3.04Å |
| 75 | L | 82.5 | Confident | 85.7 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72 | -35.5 | 175.8 | -71.6 | 171.9 | 0 | 0 | 0 | 111.9 | E71 T72 E73 A78 R90 K93 M94 | E71-L75 WeakPolarHBondContact O-CG 3.39Å; E71-L75 PolarHBondContact O-N 3.28Å; T72-L75 WeakPolarHBondContact O-CB 3.42Å; T72-L75 PolarHBondContact O-N 3.44Å; T72-L75 VanDerWaalsContact O-N 3.13Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.3Å; L75-A78 WeakPolarHBondContact O-CB 3.4Å; L75-A78 PolarHBondContact O-N 3.45Å; L75-R90 HydrophobicContact CD2-CB 4.08Å; L75-R90 HydrophobicContact CD2-CG 3.84Å; L75-K93 HydrophobicContact CD2-CD 4.4Å; L75-M94 HydrophobicContact CD1-CG 3.5Å; L75-M94 HydrophobicContact CD1-SD 4.33Å |
| 76 | R | 79.8 | Confident | 85.4 | Confident | 157 Ų | 157 | 72.8 Ų | 72.8 | 59% | 0.592 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 178.7 | -171 | 179.6 | 69.1 | 101.4 | -5.5 | 113 | T72 E73 A78 | T72-R76 PolarHBondContact O-N 2.81Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.07Å; E73-R76 VanDerWaalsContact O-N 3.14Å; E73-R76 IonicContact OE1-CZ 2.61Å; E73-R76 IonicContact OE1-NE 2.79Å; E73-R76 IonicContact OE1-NH2 3.18Å; E73-R76 PolarHBondContact OE1-NH2 3.25Å; E73-R76 IonicContact OE2-CZ 3.36Å; E73-R76 IonicContact OE2-NE 3.5Å; E73-R76 PolarHBondContact OE2-NE 3.46Å; E73-R76 IonicContact OE2-NH2 2.62Å; E73-R76 PolarHBondContact OE2-NH2 2.97Å; R76-A78 PolarHBondContact O-N 3.13Å |
| 77 | I | 82.4 | Confident | 84.9 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 65% | 0.646 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -70.3 | -22.2 | 178.3 | -61.5 | 169 | 0 | 0 | 0 | 111.3 | E73 | E73-I77 HydrophobicContact CG-CD1 4.08Å; E73-I77 WeakPolarHBondContact O-CG1 3.15Å; E73-I77 PolarHBondContact O-N 2.89Å; E73-I77 VanDerWaalsContact OE1-CD1 3.26Å; E73-I77 WeakPolarHBondContact OE1-CD1 3.32Å; E73-I77 WeakPolarHBondContact OE1-CG1 3.13Å |
| 78 | A | 80.6 | Confident | 84.5 | Confident | 33 Ų | 33 | 75 Ų | 75 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -69.5 | 137 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L75 R76 R90 | L75-A78 WeakPolarHBondContact O-CB 3.4Å; L75-A78 PolarHBondContact O-N 3.45Å; R76-A78 PolarHBondContact O-N 3.13Å; A78-R90 PolarHBondContact O-NH1 3.17Å |
| 79 | K | 75.4 | Confident | 84.4 | Confident | 166 Ų | 166 | 78.4 Ų | 78.4 | 72% | 0.722 | 44% | 0.44 | S | S | * | . | trans | -48.9 | 131.7 | -175.6 | -67.5 | -174 | 178.9 | -177.1 | 0 | 112.3 | V82 R90 | K79-V82 HydrophobicContact CB-CG1 4.47Å; K79-V82 WeakPolarHBondContact O-CG1 3.35Å; K79-R90 VanDerWaalsContact O-CZ 3.24Å; K79-R90 PolarHBondContact O-NH1 3.48Å; K79-R90 PolarHBondContact O-NH2 3.11Å | ||
| 80 | P | 71.4 | Confident | 84.2 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 72% | 0.721 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -73.3 | -34.7 | -177.9 | 26.2 | -32.9 | 0 | 0 | 0 | 112.8 | V82 | P80-V82 PolarHBondContact O-N 3.02Å; P80-V82 VanDerWaalsContact O-N 3.13Å |
| 81 | N | 77.7 | Confident | 83.8 | Confident | 157 Ų | 157 | 77 Ų | 77 | 84% | 0.84 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -86.7 | 84.7 | -178.1 | -64.1 | -15.1 | 0 | 0 | 0 | 110.6 | ||
| 82 | V | 84.3 | Confident | 83.7 | Confident | 48 Ų | 48 | 82.9 Ų | 82.9 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | trans | -125.1 | 167.6 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 110.9 | K79 P80 T86 Q87 | K79-V82 HydrophobicContact CB-CG1 4.47Å; K79-V82 WeakPolarHBondContact O-CG1 3.35Å; P80-V82 PolarHBondContact O-N 3.02Å; P80-V82 VanDerWaalsContact O-N 3.13Å; V82-T86 HydrophobicContact CB-CG2 3.8Å; V82-T86 HydrophobicContact CG1-CG2 4.14Å; V82-T86 HydrophobicContact CG2-CG2 3.7Å; V82-Q87 HydrophobicContact CG2-CB 4.47Å | ||
| 83 | S | 89.4 | Confident | 83.7 | Confident | 59 Ų | 59 | 84.8 Ų | 84.8 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | trans | -56 | 152.9 | 175 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | S85 T86 Q87 | S83-S85 PolarHBondContact O-N 3.22Å; S83-S85 PolarHBondContact OG-OG 3.03Å; S83-T86 WeakPolarHBondContact O-CB 3.34Å; S83-T86 PolarHBondContact O-N 2.55Å; S83-T86 WeakPolarHBondContact OG-CB 3.35Å; S83-T86 PolarHBondContact OG-N 3.4Å; S83-T86 VanDerWaalsContact OG-N 3.16Å; S83-T86 PolarHBondContact OG-OG1 2.64Å; S83-Q87 PolarHBondContact O-N 2.61Å | ||
| 84 | A | 87.3 | Confident | 83.6 | Confident | 80 Ų | 80 | 82 Ų | 82 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -53.9 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T86 Q87 A88 | A84-T86 PolarHBondContact O-N 3.4Å; A84-Q87 PolarHBondContact O-N 3Å; A84-A88 WeakPolarHBondContact O-CB 3.2Å; A84-A88 PolarHBondContact O-N 2.94Å |
| 85 | S | 88.1 | Confident | 83.5 | Confident | 78 Ų | 78 | 84.7 Ų | 84.7 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | S83 S89 | S83-S85 PolarHBondContact O-N 3.22Å; S83-S85 PolarHBondContact OG-OG 3.03Å; S85-S89 PolarHBondContact O-N 3.33Å; S85-S89 VanDerWaalsContact O-N 3.07Å; S85-S89 PolarHBondContact O-OG 3.19Å |
| 86 | T | 86.8 | Confident | 83.8 | Confident | 54 Ų | 54 | 88 Ų | 88 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 176.4 | -55 | 0 | 0 | 0 | 0 | 110.6 | V82 S83 A84 S89 R90 | V82-T86 HydrophobicContact CB-CG2 3.8Å; V82-T86 HydrophobicContact CG1-CG2 4.14Å; V82-T86 HydrophobicContact CG2-CG2 3.7Å; S83-T86 WeakPolarHBondContact O-CB 3.34Å; S83-T86 PolarHBondContact O-N 2.55Å; S83-T86 WeakPolarHBondContact OG-CB 3.35Å; S83-T86 PolarHBondContact OG-N 3.4Å; S83-T86 VanDerWaalsContact OG-N 3.16Å; S83-T86 PolarHBondContact OG-OG1 2.64Å; A84-T86 PolarHBondContact O-N 3.4Å; T86-S89 WeakPolarHBondContact O-CB 3.37Å; T86-S89 PolarHBondContact O-N 3.08Å; T86-R90 WeakPolarHBondContact O-CG 2.98Å; T86-R90 PolarHBondContact O-N 3.31Å |
| 87 | Q | 83.9 | Confident | 84.1 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.5 | -168.5 | 177 | 18.1 | 0 | 0 | 111.6 | V82 S83 A84 S89 R90 Q91 | V82-Q87 HydrophobicContact CG2-CB 4.47Å; S83-Q87 PolarHBondContact O-N 2.61Å; A84-Q87 PolarHBondContact O-N 3Å; Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 3.28Å; Q87-R90 WeakPolarHBondContact O-CB 3.16Å; Q87-R90 PolarHBondContact O-N 2.85Å; Q87-R90 VanDerWaalsContact O-N 3.16Å; Q87-Q91 WeakPolarHBondContact O-CG 3.48Å; Q87-Q91 PolarHBondContact O-N 3.11Å |
| 88 | A | 86.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A84 R90 Q91 K92 | A84-A88 WeakPolarHBondContact O-CB 3.2Å; A84-A88 PolarHBondContact O-N 2.94Å; A88-R90 VanDerWaalsContact C-N 3.32Å; A88-R90 PolarHBondContact O-N 3.02Å; A88-Q91 PolarHBondContact O-N 3.08Å; A88-K92 WeakPolarHBondContact O-CB 3.15Å; A88-K92 PolarHBondContact O-N 3.43Å |
| 89 | S | 86.8 | Confident | 84.6 | Confident | 80 Ų | 80 | 76.4 Ų | 76.4 | 56% | 0.559 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.7 | -37.1 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | S85 T86 Q87 K93 | S85-S89 PolarHBondContact O-N 3.33Å; S85-S89 VanDerWaalsContact O-N 3.07Å; S85-S89 PolarHBondContact O-OG 3.19Å; T86-S89 WeakPolarHBondContact O-CB 3.37Å; T86-S89 PolarHBondContact O-N 3.08Å; Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 3.28Å; S89-K93 WeakPolarHBondContact O-CB 3.25Å; S89-K93 PolarHBondContact O-N 2.87Å |
| 90 | R | 84.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 20% | 0.2 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 174.1 | -69.1 | -179 | -174.1 | 178.6 | 7.6 | 111.6 | L75 A78 K79 T86 Q87 A88 K92 K93 M94 | L75-R90 HydrophobicContact CD2-CB 4.08Å; L75-R90 HydrophobicContact CD2-CG 3.84Å; A78-R90 PolarHBondContact O-NH1 3.17Å; K79-R90 VanDerWaalsContact O-CZ 3.24Å; K79-R90 PolarHBondContact O-NH1 3.48Å; K79-R90 PolarHBondContact O-NH2 3.11Å; T86-R90 WeakPolarHBondContact O-CG 2.98Å; T86-R90 PolarHBondContact O-N 3.31Å; Q87-R90 WeakPolarHBondContact O-CB 3.16Å; Q87-R90 PolarHBondContact O-N 2.85Å; Q87-R90 VanDerWaalsContact O-N 3.16Å; A88-R90 VanDerWaalsContact C-N 3.32Å; A88-R90 PolarHBondContact O-N 3.02Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 2.72Å; R90-K93 WeakPolarHBondContact O-CB 3.44Å; R90-K93 PolarHBondContact O-N 3.34Å; R90-K93 VanDerWaalsContact O-N 3.14Å; R90-M94 WeakPolarHBondContact O-CG 3.4Å; R90-M94 PolarHBondContact O-N 3.42Å |
| 91 | Q | 83.1 | Confident | 86.5 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 176.2 | -71.6 | 176.2 | -15.2 | 0 | 0 | 111.7 | Q87 A88 K93 M94 Q95 I136 | Q87-Q91 WeakPolarHBondContact O-CG 3.48Å; Q87-Q91 PolarHBondContact O-N 3.11Å; A88-Q91 PolarHBondContact O-N 3.08Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 2.92Å; Q91-M94 WeakPolarHBondContact O-CB 3.08Å; Q91-M94 PolarHBondContact O-N 2.62Å; Q91-Q95 WeakPolarHBondContact O-CG 3.49Å; Q91-Q95 PolarHBondContact O-N 3.13Å; Q91-I136 HydrophobicContact CG-CD1 4.14Å |
| 92 | K | 87 | Confident | 87.2 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 174.9 | -177.2 | 176.8 | 179.4 | 177.6 | 0 | 111.7 | A88 R90 M94 Q95 E96 | A88-K92 WeakPolarHBondContact O-CB 3.15Å; A88-K92 PolarHBondContact O-N 3.43Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 2.72Å; K92-M94 VanDerWaalsContact C-N 3.33Å; K92-M94 PolarHBondContact O-N 2.79Å; K92-Q95 PolarHBondContact O-N 2.76Å; K92-E96 VanDerWaalsContact CE-OE1 3.23Å; K92-E96 WeakPolarHBondContact CE-OE1 3.48Å; K92-E96 WeakPolarHBondContact O-CG 3.48Å; K92-E96 PolarHBondContact O-N 3.21Å |
| 93 | K | 86.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.1 | -172.7 | 174.7 | 177.3 | -172.2 | 0 | 112 | E71 L75 S89 R90 Q91 E96 I97 | E71-K93 WeakPolarHBondContact OE2-CE 3.47Å; E71-K93 IonicContact OE2-NZ 3.12Å; E71-K93 PolarHBondContact OE2-NZ 3.29Å; L75-K93 HydrophobicContact CD2-CD 4.4Å; S89-K93 WeakPolarHBondContact O-CB 3.25Å; S89-K93 PolarHBondContact O-N 2.87Å; R90-K93 WeakPolarHBondContact O-CB 3.44Å; R90-K93 PolarHBondContact O-N 3.34Å; R90-K93 VanDerWaalsContact O-N 3.14Å; Q91-K93 VanDerWaalsContact C-N 3.32Å; Q91-K93 PolarHBondContact O-N 2.92Å; K93-E96 PolarHBondContact O-N 2.94Å; K93-I97 HydrophobicContact CG-CD1 4.19Å; K93-I97 WeakPolarHBondContact O-CD1 3.36Å; K93-I97 VanDerWaalsContact O-CG1 3.25Å; K93-I97 WeakPolarHBondContact O-CG1 3.17Å; K93-I97 PolarHBondContact O-N 3.48Å |
| 94 | M | 83.8 | Confident | 88.1 | Confident | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.054 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.6 | -66 | 172.1 | 77.2 | 0 | 0 | 111.9 | L75 R90 Q91 K92 I97 S98 N133 I136 Y137 | L75-M94 HydrophobicContact CD1-CG 3.5Å; L75-M94 HydrophobicContact CD1-SD 4.33Å; R90-M94 WeakPolarHBondContact O-CG 3.4Å; R90-M94 PolarHBondContact O-N 3.42Å; Q91-M94 WeakPolarHBondContact O-CB 3.08Å; Q91-M94 PolarHBondContact O-N 2.62Å; K92-M94 VanDerWaalsContact C-N 3.33Å; K92-M94 PolarHBondContact O-N 2.79Å; M94-I97 PolarHBondContact O-N 3.49Å; M94-S98 PolarHBondContact O-N 2.9Å; M94-N133 HydrophobicContact CE-CB 3.75Å; M94-N133 WeakPolarHBondContact CE-OD1 3.25Å; M94-I136 HydrophobicContact CB-CG2 3.84Å; M94-I136 HydrophobicContact CE-CB 3.91Å; M94-I136 HydrophobicContact CE-CD1 3.67Å; M94-I136 HydrophobicContact CE-CG1 4.34Å; M94-I136 HydrophobicContact CE-CG2 3.99Å; M94-I136 HydrophobicContact SD-CD1 3.54Å; M94-I136 VanDerWaalsContact SD-CD1 3.54Å; M94-I136 HydrophobicContact SD-CG2 4.4Å; M94-Y137 HydrophobicContact CE-CD2 4.04Å; M94-Y137 HydrophobicContact CE-CE2 3.45Å; M94-Y137 VanDerWaalsContact CE-CE2 3.45Å |
| 95 | Q | 84.9 | Confident | 88.5 | Confident | 110 Ų | 110 | 51.2 Ų | 51.2 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 175 | -69.9 | 173.1 | -11.6 | 0 | 0 | 112.4 | Q91 K92 S98 S99 | Q91-Q95 WeakPolarHBondContact O-CG 3.49Å; Q91-Q95 PolarHBondContact O-N 3.13Å; K92-Q95 PolarHBondContact O-N 2.76Å; Q95-S98 PolarHBondContact O-N 3.26Å; Q95-S99 VanDerWaalsContact O-CB 3.28Å; Q95-S99 WeakPolarHBondContact O-CB 3.39Å; Q95-S99 PolarHBondContact O-N 2.9Å; Q95-S99 PolarHBondContact O-OG 2.83Å |
| 96 | E | 88.8 | Confident | 88.8 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.8 | -75 | 174.1 | -175.3 | 0 | 0 | 111.7 | K92 K93 S99 L100 | K92-E96 VanDerWaalsContact CE-OE1 3.23Å; K92-E96 WeakPolarHBondContact CE-OE1 3.48Å; K92-E96 WeakPolarHBondContact O-CG 3.48Å; K92-E96 PolarHBondContact O-N 3.21Å; K93-E96 PolarHBondContact O-N 2.94Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-L100 PolarHBondContact O-N 3.48Å |
| 97 | I | 86.2 | Confident | 89.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.8 | -68.9 | 162.7 | 0 | 0 | 0 | 110.4 | I68 E71 K93 M94 L100 V101 | I68-I97 HydrophobicContact CB-CG2 4.16Å; I68-I97 HydrophobicContact CG1-CG2 3.69Å; I68-I97 HydrophobicContact CG2-CG2 3.84Å; E71-I97 HydrophobicContact CB-CD1 3.49Å; E71-I97 VanDerWaalsContact CB-CD1 3.49Å; E71-I97 HydrophobicContact CB-CG1 4.41Å; E71-I97 HydrophobicContact CG-CD1 4.02Å; K93-I97 HydrophobicContact CG-CD1 4.19Å; K93-I97 WeakPolarHBondContact O-CD1 3.36Å; K93-I97 VanDerWaalsContact O-CG1 3.25Å; K93-I97 WeakPolarHBondContact O-CG1 3.17Å; K93-I97 PolarHBondContact O-N 3.48Å; M94-I97 PolarHBondContact O-N 3.49Å; I97-L100 WeakPolarHBondContact O-CB 3.32Å; I97-L100 PolarHBondContact O-N 3.4Å; I97-V101 PolarHBondContact O-N 3.01Å |
| 98 | S | 84.3 | Confident | 89.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 178.2 | -178 | 0 | 0 | 0 | 0 | 112.7 | M94 Q95 L100 V101 K102 D140 | M94-S98 PolarHBondContact O-N 2.9Å; Q95-S98 PolarHBondContact O-N 3.26Å; S98-L100 PolarHBondContact O-N 3.02Å; S98-V101 PolarHBondContact O-N 3.2Å; S98-V101 VanDerWaalsContact O-N 3.11Å; S98-K102 PolarHBondContact O-N 3.29Å; S98-D140 WeakPolarHBondContact CB-OD2 3.4Å; S98-D140 WeakPolarHBondContact OG-CB 3.47Å; S98-D140 PolarHBondContact OG-OD2 3.46Å |
| 99 | S | 89.8 | Confident | 90.3 | Very high | 67 Ų | 67 | 47 Ų | 47 | 47% | 0.469 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.4 | -35.6 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112 | Q95 E96 V101 Y103 | Q95-S99 VanDerWaalsContact O-CB 3.28Å; Q95-S99 WeakPolarHBondContact O-CB 3.39Å; Q95-S99 PolarHBondContact O-N 2.9Å; Q95-S99 PolarHBondContact O-OG 2.83Å; E96-S99 PolarHBondContact O-N 3.42Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-Y103 WeakPolarHBondContact O-CB 3.34Å; S99-Y103 PolarHBondContact O-N 2.91Å |
| 100 | L | 93.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 176 | 178.5 | 61 | 0 | 0 | 0 | 112 | V27 F30 K31 L64 Y67 E96 I97 S98 Y103 F104 | V27-L100 HydrophobicContact CG1-CD1 4.45Å; V27-L100 HydrophobicContact CG1-CD2 3.82Å; V27-L100 HydrophobicContact CG2-CD2 4.22Å; F30-L100 HydrophobicContact CD1-CD1 4.24Å; F30-L100 HydrophobicContact CE1-CD1 4.29Å; K31-L100 HydrophobicContact CD-CD1 4.41Å; K31-L100 HydrophobicContact CG-CD1 3.82Å; L64-L100 HydrophobicContact CD1-CD2 3.58Å; L64-L100 HydrophobicContact CD1-CG 3.88Å; Y67-L100 HydrophobicContact CD1-CD2 4.31Å; Y67-L100 HydrophobicContact CE1-CD2 3.95Å; E96-L100 PolarHBondContact O-N 3.48Å; I97-L100 WeakPolarHBondContact O-CB 3.32Å; I97-L100 PolarHBondContact O-N 3.4Å; S98-L100 PolarHBondContact O-N 3.02Å; L100-Y103 HydrophobicContact CD1-CD1 4.29Å; L100-Y103 PolarHBondContact O-N 3.36Å; L100-F104 WeakPolarHBondContact O-CB 3.23Å; L100-F104 PolarHBondContact O-N 3.35Å |
| 101 | V | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -52.2 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | F61 L64 I68 I97 S98 S99 Y103 F104 I105 Y123 I144 | F61-V101 HydrophobicContact CE2-CG1 4.19Å; L64-V101 HydrophobicContact CD2-CG2 4.38Å; I68-V101 HydrophobicContact CD1-CG2 3.17Å; I68-V101 HydrophobicContact CG1-CG2 4.22Å; I97-V101 PolarHBondContact O-N 3.01Å; S98-V101 PolarHBondContact O-N 3.2Å; S98-V101 VanDerWaalsContact O-N 3.11Å; S99-V101 VanDerWaalsContact C-N 3.34Å; V101-Y103 PolarHBondContact O-N 2.81Å; V101-F104 WeakPolarHBondContact O-CB 3.49Å; V101-F104 PolarHBondContact O-N 2.72Å; V101-F104 VanDerWaalsContact O-N 3.08Å; V101-I105 HydrophobicContact CG1-CD1 3.77Å; V101-I105 HydrophobicContact CG1-CG1 4.33Å; V101-I105 WeakPolarHBondContact O-CG1 3.26Å; V101-I105 PolarHBondContact O-N 3.17Å; V101-Y123 HydrophobicContact CG1-CD1 4.27Å; V101-Y123 HydrophobicContact CG1-CE1 3.71Å; V101-Y123 HydrophobicContact CG2-CE2 4.23Å; V101-I144 HydrophobicContact CG1-CD1 3.97Å |
| 102 | K | 92.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54 | -45.5 | 176.2 | -71.8 | -178.8 | 173 | 179 | 0 | 111.1 | S98 I105 K106 D140 N143 I144 | S98-K102 PolarHBondContact O-N 3.29Å; K102-I105 PolarHBondContact O-N 3.06Å; K102-K106 WeakPolarHBondContact O-CB 3.36Å; K102-K106 PolarHBondContact O-N 3.38Å; K102-D140 WeakPolarHBondContact CE-O 3.29Å; K102-D140 WeakPolarHBondContact CE-OD1 3.05Å; K102-D140 IonicContact NZ-OD1 2.62Å; K102-D140 PolarHBondContact NZ-OD1 2.81Å; K102-N143 WeakPolarHBondContact CE-OD1 3.38Å; K102-N143 PolarHBondContact NZ-OD1 3.49Å; K102-I144 HydrophobicContact CD-CG1 4.41Å; K102-I144 HydrophobicContact CG-CD1 3.81Å; K102-I144 HydrophobicContact CG-CG1 3.61Å |
| 103 | Y | 95.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 178.7 | 171.1 | -111 | 0 | 0 | 0 | 112.2 | K31 I34 R35 S99 L100 V101 K106 C107 | K31-Y103 HydrophobicContact CB-CE1 4.3Å; K31-Y103 HydrophobicContact CG-CD1 4.36Å; K31-Y103 HydrophobicContact CG-CE1 4.04Å; I34-Y103 HydrophobicContact CD1-CD1 4.44Å; I34-Y103 HydrophobicContact CD1-CE1 3.75Å; I34-Y103 HydrophobicContact CG1-CE1 4.3Å; R35-Y103 VanDerWaalsContact CD-OH 3.25Å; R35-Y103 WeakPolarHBondContact CD-OH 3.49Å; R35-Y103 WeakPolarHBondContact CG-OH 3.35Å; R35-Y103 PolarHBondContact NE-OH 3.43Å; S99-Y103 WeakPolarHBondContact O-CB 3.34Å; S99-Y103 PolarHBondContact O-N 2.91Å; L100-Y103 HydrophobicContact CD1-CD1 4.29Å; L100-Y103 PolarHBondContact O-N 3.36Å; V101-Y103 PolarHBondContact O-N 2.81Å; Y103-K106 PolarHBondContact O-N 2.82Å; Y103-C107 WeakPolarHBondContact CE2-SG 3.49Å; Y103-C107 PolarHBondContact O-N 3.5Å; Y103-C107 PolarHBondContact OH-SG 3.3Å |
| 104 | F | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 174.8 | 174.6 | -91.4 | 0 | 0 | 0 | 112.3 | F30 I34 W57 V60 F61 L64 L100 V101 K106 C107 A108 L115 | F30-F104 HydrophobicContact CE1-CD2 4.11Å; F30-F104 AromaticContact CZ-CD2 3.76Å; F30-F104 HydrophobicContact CZ-CD2 3.76Å; F30-F104 HydrophobicContact CZ-CE2 4.05Å; I34-F104 HydrophobicContact CD1-CD2 3.9Å; W57-F104 AromaticContact CE3-CE2 3.72Å; W57-F104 HydrophobicContact CE3-CE2 3.72Å; W57-F104 AromaticContact CE3-CZ 3.71Å; W57-F104 HydrophobicContact CE3-CZ 3.71Å; W57-F104 HydrophobicContact CZ3-CD2 4.41Å; W57-F104 AromaticContact CZ3-CE2 3.78Å; W57-F104 HydrophobicContact CZ3-CE2 3.78Å; W57-F104 HydrophobicContact CZ3-CZ 4.23Å; V60-F104 HydrophobicContact CB-CE2 4.12Å; V60-F104 HydrophobicContact CB-CZ 4.15Å; V60-F104 HydrophobicContact CG1-CE2 3.53Å; V60-F104 HydrophobicContact CG1-CZ 4.03Å; F61-F104 HydrophobicContact CB-CE1 3.57Å; F61-F104 HydrophobicContact CB-CZ 3.89Å; F61-F104 AromaticContact CD2-CD1 3.59Å; F61-F104 HydrophobicContact CD2-CD1 3.59Å; F61-F104 AromaticContact CD2-CE1 3.43Å; F61-F104 HydrophobicContact CD2-CE1 3.43Å; F61-F104 VanDerWaalsContact CD2-CE1 3.43Å; F61-F104 HydrophobicContact CD2-CZ 4.39Å; F61-F104 HydrophobicContact CE2-CD1 4.23Å; F61-F104 HydrophobicContact CE2-CE1 4.42Å; F61-F104 HydrophobicContact CG-CD1 4.38Å; F61-F104 AromaticContact CG-CE1 3.78Å; F61-F104 HydrophobicContact CG-CE1 3.78Å; L64-F104 HydrophobicContact CD2-CB 3.62Å; L64-F104 HydrophobicContact CD2-CD1 4.07Å; L64-F104 HydrophobicContact CD2-CD2 4.2Å; L64-F104 HydrophobicContact CD2-CG 3.68Å; L100-F104 WeakPolarHBondContact O-CB 3.23Å; L100-F104 PolarHBondContact O-N 3.35Å; V101-F104 WeakPolarHBondContact O-CB 3.49Å; V101-F104 PolarHBondContact O-N 2.72Å; V101-F104 VanDerWaalsContact O-N 3.08Å; F104-K106 VanDerWaalsContact C-N 3.32Å; F104-K106 PolarHBondContact O-N 3.39Å; F104-C107 WeakPolarHBondContact O-CA 3.46Å; F104-C107 WeakPolarHBondContact O-CB 3.4Å; F104-C107 PolarHBondContact O-N 3.13Å; F104-C107 VanDerWaalsContact O-N 3.08Å; F104-A108 HydrophobicContact CE1-CB 4.47Å; F104-A108 PolarHBondContact O-N 3.36Å; F104-L115 HydrophobicContact CD1-CD1 4.47Å; F104-L115 HydrophobicContact CE1-CD1 4.07Å; F104-L115 HydrophobicContact CE1-CD2 3.9Å; F104-L115 HydrophobicContact CZ-CD2 4.4Å |
| 105 | I | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 178.6 | -66.6 | 169.6 | 0 | 0 | 0 | 110.1 | V101 K102 C107 A108 N109 L115 L120 I144 D148 | V101-I105 HydrophobicContact CG1-CD1 3.77Å; V101-I105 HydrophobicContact CG1-CG1 4.33Å; V101-I105 WeakPolarHBondContact O-CG1 3.26Å; V101-I105 PolarHBondContact O-N 3.17Å; K102-I105 PolarHBondContact O-N 3.06Å; I105-C107 VanDerWaalsContact C-N 3.28Å; I105-C107 PolarHBondContact O-N 3.28Å; I105-A108 PolarHBondContact O-N 3.46Å; I105-N109 WeakPolarHBondContact O-CB 3.37Å; I105-N109 PolarHBondContact O-N 3.1Å; I105-L115 HydrophobicContact CB-CD1 4.43Å; I105-L115 HydrophobicContact CG1-CD1 4Å; I105-L115 HydrophobicContact CG2-CD1 4.43Å; I105-L120 HydrophobicContact CD1-CD2 3.7Å; I105-L120 HydrophobicContact CG1-CD2 3.91Å; I105-I144 HydrophobicContact CD1-CD1 4.35Å; I105-I144 HydrophobicContact CD1-CG1 4.45Å; I105-I144 HydrophobicContact CD1-CG2 3.69Å; I105-D148 HydrophobicContact CG2-CB 3.95Å |
| 106 | K | 94.4 | Very high | 93.1 | Very high | 152 Ų | 152 | 47.8 Ų | 47.8 | 66% | 0.661 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.7 | -39.7 | 176 | -174.8 | 176.5 | -177.3 | 174.1 | 0 | 112.1 | K102 Y103 F104 R110 | K102-K106 WeakPolarHBondContact O-CB 3.36Å; K102-K106 PolarHBondContact O-N 3.38Å; Y103-K106 PolarHBondContact O-N 2.82Å; F104-K106 VanDerWaalsContact C-N 3.32Å; F104-K106 PolarHBondContact O-N 3.39Å; K106-R110 WeakPolarHBondContact O-CB 3.38Å; K106-R110 PolarHBondContact O-N 3.21Å; K106-R110 VanDerWaalsContact O-N 3.16Å |
| 107 | C | 95.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 12% | 0.122 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -51.2 | 175.2 | -81.4 | 0 | 0 | 0 | 0 | 112 | I34 Y103 F104 I105 N109 R111 | I34-C107 HydrophobicContact CD1-CB 4.49Å; Y103-C107 WeakPolarHBondContact CE2-SG 3.49Å; Y103-C107 PolarHBondContact O-N 3.5Å; Y103-C107 PolarHBondContact OH-SG 3.3Å; F104-C107 WeakPolarHBondContact O-CA 3.46Å; F104-C107 WeakPolarHBondContact O-CB 3.4Å; F104-C107 PolarHBondContact O-N 3.13Å; F104-C107 VanDerWaalsContact O-N 3.08Å; I105-C107 VanDerWaalsContact C-N 3.28Å; I105-C107 PolarHBondContact O-N 3.28Å; C107-N109 VanDerWaalsContact C-N 3.32Å; C107-N109 PolarHBondContact O-N 3.5Å; C107-R111 PolarHBondContact O-NH2 2.92Å |
| 108 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W57 F104 I105 R114 L115 | W57-A108 HydrophobicContact CB-CB 4.35Å; W57-A108 HydrophobicContact CD2-CB 3.67Å; W57-A108 HydrophobicContact CE3-CB 3.6Å; W57-A108 HydrophobicContact CG-CB 4.01Å; W57-A108 HydrophobicContact CZ3-CB 4.13Å; F104-A108 HydrophobicContact CE1-CB 4.47Å; F104-A108 PolarHBondContact O-N 3.36Å; I105-A108 PolarHBondContact O-N 3.46Å; A108-R114 WeakPolarHBondContact O-CG 3.44Å; A108-L115 HydrophobicContact CB-CD1 4.02Å; A108-L115 HydrophobicContact CB-CD2 4.23Å; A108-L115 HydrophobicContact CB-CG 3.92Å |
| 109 | N | 95.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -90.8 | 0.6 | -171.5 | -70.3 | -11.2 | 0 | 0 | 0 | 115 | I105 C107 R111 A112 P113 R114 L115 Y155 | I105-N109 WeakPolarHBondContact O-CB 3.37Å; I105-N109 PolarHBondContact O-N 3.1Å; C107-N109 VanDerWaalsContact C-N 3.32Å; C107-N109 PolarHBondContact O-N 3.5Å; N109-R111 PolarHBondContact O-N 3.03Å; N109-A112 CarbonylContact C-O 3.53Å; N109-A112 VanDerWaalsContact CA-O 3.26Å; N109-A112 WeakPolarHBondContact CA-O 3.48Å; N109-P113 WeakPolarHBondContact OD1-CA 3.48Å; N109-R114 PolarHBondContact OD1-N 3.41Å; N109-L115 PolarHBondContact OD1-N 3.34Å; N109-Y155 WeakPolarHBondContact ND2-CE2 3.49Å; N109-Y155 PolarHBondContact ND2-OH 2.62Å; N109-Y155 PolarHBondContact OD1-OH 2.76Å; N109-Y155 VanDerWaalsContact OD1-OH 3.12Å |
| 110 | R | 93.4 | Very high | 94.1 | Very high | 207 Ų | 207 | 46 Ų | 46 | 78% | 0.781 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -33.2 | -175.9 | -173.5 | 173.9 | 179.2 | -177.3 | -0.8 | 113.8 | K106 | K106-R110 WeakPolarHBondContact O-CB 3.38Å; K106-R110 PolarHBondContact O-N 3.21Å; K106-R110 VanDerWaalsContact O-N 3.16Å |
| 111 | R | 93.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 46 Ų | 46 | 38% | 0.381 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -105.7 | -33.6 | -172.9 | -69.3 | 148.2 | -72.8 | -104.1 | -0.2 | 113.1 | I40 D44 C107 N109 | I40-R111 VanDerWaalsContact CG2-NH1 3.27Å; D44-R111 IonicContact OD1-NE 3.89Å; D44-R111 WeakPolarHBondContact OD2-CD 3.37Å; D44-R111 IonicContact OD2-CZ 3.83Å; D44-R111 IonicContact OD2-NE 2.98Å; D44-R111 PolarHBondContact OD2-NE 3.4Å; C107-R111 PolarHBondContact O-NH2 2.92Å; N109-R111 PolarHBondContact O-N 3.03Å |
| 112 | A | 93.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -166.2 | 163.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | N109 R114 | N109-A112 CarbonylContact C-O 3.53Å; N109-A112 VanDerWaalsContact CA-O 3.26Å; N109-A112 WeakPolarHBondContact CA-O 3.48Å; A112-R114 WeakPolarHBondContact O-CG 3.29Å; A112-R114 PolarHBondContact O-N 3.43Å |
| 113 | P | 94.1 | Very high | 93.6 | Very high | 39 Ų | 39 | 47 Ų | 47 | 25% | 0.253 | 21% | 0.214 | S | C | . | . | trans | -70.5 | 98.9 | 177.1 | -4.1 | 18.7 | 0 | 0 | 0 | 110.2 | N109 V152 K154 Y155 | N109-P113 WeakPolarHBondContact OD1-CA 3.48Å; P113-V152 HydrophobicContact CB-CG1 3.79Å; P113-V152 HydrophobicContact CG-CG1 3.47Å; P113-V152 VanDerWaalsContact CG-CG1 3.47Å; P113-K154 HydrophobicContact CB-CB 4.48Å; P113-K154 HydrophobicContact CB-CD 4.07Å; P113-K154 HydrophobicContact CG-CB 4.15Å; P113-K154 HydrophobicContact CG-CD 4.25Å; P113-K154 PolarHBondContact O-NZ 3.49Å; P113-Y155 WeakPolarHBondContact CA-OH 3.47Å; P113-Y155 HydrophobicContact CB-CE1 3.75Å; P113-Y155 HydrophobicContact CB-CE2 3.79Å; P113-Y155 WeakPolarHBondContact CB-OH 3.43Å | ||
| 114 | R | 94.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 15% | 0.151 | 21% | 0.208 | C | C | . | . | trans | -95.1 | -25.6 | -170.7 | -65.5 | -44.8 | -173.6 | 102.7 | -15.2 | 113.9 | D44 D48 W57 A108 N109 A112 | D44-R114 VanDerWaalsContact CB-NH1 3.33Å; D44-R114 PolarHBondContact O-NH1 2.87Å; D44-R114 IonicContact OD1-NH1 3.83Å; D48-R114 IonicContact OD1-CZ 3.13Å; D48-R114 IonicContact OD1-NE 3.72Å; D48-R114 IonicContact OD1-NH1 2.9Å; D48-R114 PolarHBondContact OD1-NH1 3.07Å; D48-R114 IonicContact OD1-NH2 3.41Å; D48-R114 PolarHBondContact OD1-NH2 2.8Å; D48-R114 IonicContact OD2-CZ 3.14Å; D48-R114 IonicContact OD2-NH1 2.83Å; D48-R114 PolarHBondContact OD2-NH1 3.04Å; D48-R114 IonicContact OD2-NH2 2.78Å; D48-R114 PolarHBondContact OD2-NH2 3.18Å; W57-R114 HydrophobicContact CB-CB 4.47Å; W57-R114 HydrophobicContact CG-CB 4.29Å; A108-R114 WeakPolarHBondContact O-CG 3.44Å; N109-R114 PolarHBondContact OD1-N 3.41Å; A112-R114 WeakPolarHBondContact O-CG 3.29Å; A112-R114 PolarHBondContact O-N 3.43Å | ||
| 115 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74.7 | 150.9 | 174.7 | -61.6 | 171 | 0 | 0 | 0 | 110 | W57 D58 F61 F104 I105 A108 N109 L120 Y155 | W57-L115 HydrophobicContact CB-CD2 3.85Å; D58-L115 WeakPolarHBondContact OD1-CA 3.27Å; F61-L115 HydrophobicContact CB-CD2 4.02Å; F61-L115 HydrophobicContact CG-CD2 4.35Å; F104-L115 HydrophobicContact CD1-CD1 4.47Å; F104-L115 HydrophobicContact CE1-CD1 4.07Å; F104-L115 HydrophobicContact CE1-CD2 3.9Å; F104-L115 HydrophobicContact CZ-CD2 4.4Å; I105-L115 HydrophobicContact CB-CD1 4.43Å; I105-L115 HydrophobicContact CG1-CD1 4Å; I105-L115 HydrophobicContact CG2-CD1 4.43Å; A108-L115 HydrophobicContact CB-CD1 4.02Å; A108-L115 HydrophobicContact CB-CD2 4.23Å; A108-L115 HydrophobicContact CB-CG 3.92Å; N109-L115 PolarHBondContact OD1-N 3.34Å; L115-L120 HydrophobicContact CB-CD1 4.11Å; L115-L120 HydrophobicContact CB-CD2 4.45Å; L115-L120 HydrophobicContact CB-CG 4.19Å; L115-L120 HydrophobicContact CD1-CD2 3.78Å; L115-L120 HydrophobicContact CD1-CG 4.42Å; L115-Y155 PolarHBondContact N-OH 3.44Å; L115-Y155 WeakPolarHBondContact O-CE1 3.46Å; L115-Y155 PolarHBondContact O-OH 3.02Å |
| 116 | K | 93 | Very high | 92.2 | Very high | 118 Ų | 118 | 51.5 Ų | 51.5 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | trans | -73.7 | 136.8 | 169.8 | -71.2 | 172.8 | -175.6 | -175.2 | 0 | 110.3 | D58 Q118 E119 L120 | D58-K116 PolarHBondContact OD1-N 2.97Å; D58-K116 WeakPolarHBondContact OD2-CE 3.38Å; D58-K116 WeakPolarHBondContact OD2-CG 3.4Å; K116-Q118 VanDerWaalsContact C-N 3.25Å; K116-Q118 PolarHBondContact O-N 3.3Å; K116-E119 HydrophobicContact CB-CB 4.44Å; K116-E119 HydrophobicContact CB-CG 3.94Å; K116-E119 HydrophobicContact CD-CG 4.49Å; K116-E119 PolarHBondContact O-N 3.25Å; K116-E119 VanDerWaalsContact O-N 3.15Å; K116-L120 PolarHBondContact O-N 3.44Å | ||
| 117 | C | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.5 | -42.5 | 177.6 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | E119 L120 L121 Y155 E158 | C117-E119 VanDerWaalsContact C-N 3.31Å; C117-E119 PolarHBondContact O-N 3.4Å; C117-L120 WeakPolarHBondContact O-CB 3.36Å; C117-L120 PolarHBondContact O-N 3Å; C117-L120 VanDerWaalsContact O-N 3.14Å; C117-L121 WeakPolarHBondContact O-CG 3.12Å; C117-L121 PolarHBondContact O-N 3.33Å; C117-Y155 HydrophobicContact CB-CD1 3.82Å; C117-Y155 HydrophobicContact CB-CG 4.33Å; C117-Y155 PolarHBondContact SG-O 3.03Å; C117-E158 HydrophobicContact CB-CB 3.77Å; C117-E158 WeakPolarHBondContact CB-OE2 3.5Å; C117-E158 PolarHBondContact N-OE2 3.47Å |
| 118 | Q | 90.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56 | -42.3 | 178.2 | -171.9 | 68 | 54.4 | 0 | 0 | 113.2 | K116 L120 L121 N122 Q163 | K116-Q118 VanDerWaalsContact C-N 3.25Å; K116-Q118 PolarHBondContact O-N 3.3Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 2.91Å; Q118-L121 PolarHBondContact O-N 3.47Å; Q118-N122 PolarHBondContact NE2-OD1 3.38Å; Q118-N122 WeakPolarHBondContact O-CB 3.28Å; Q118-N122 PolarHBondContact O-N 2.85Å; Q118-N122 PolarHBondContact O-ND2 3.46Å; Q118-N122 PolarHBondContact O-OD1 3.39Å; Q118-Q163 VanDerWaalsContact CD-NE2 3.34Å |
| 119 | E | 91.8 | Very high | 89.5 | Confident | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -39 | -179.2 | -63 | -68.4 | 148.9 | 0 | 0 | 110.9 | F61 Q65 K116 C117 Y123 | F61-E119 HydrophobicContact CD1-CB 4.04Å; F61-E119 HydrophobicContact CE1-CB 4.25Å; Q65-E119 PolarHBondContact NE2-O 3.41Å; K116-E119 HydrophobicContact CB-CB 4.44Å; K116-E119 HydrophobicContact CB-CG 3.94Å; K116-E119 HydrophobicContact CD-CG 4.49Å; K116-E119 PolarHBondContact O-N 3.25Å; K116-E119 VanDerWaalsContact O-N 3.15Å; C117-E119 VanDerWaalsContact C-N 3.31Å; C117-E119 PolarHBondContact O-N 3.4Å; E119-Y123 PolarHBondContact O-N 3.14Å; E119-Y123 VanDerWaalsContact O-N 3.09Å |
| 120 | L | 93.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 176.2 | -67.7 | 172.8 | 0 | 0 | 0 | 112.2 | F61 I105 L115 K116 C117 Q118 Y123 I124 I149 Y155 | F61-L120 HydrophobicContact CE1-CD2 4.03Å; F61-L120 HydrophobicContact CZ-CD2 4.08Å; I105-L120 HydrophobicContact CD1-CD2 3.7Å; I105-L120 HydrophobicContact CG1-CD2 3.91Å; L115-L120 HydrophobicContact CB-CD1 4.11Å; L115-L120 HydrophobicContact CB-CD2 4.45Å; L115-L120 HydrophobicContact CB-CG 4.19Å; L115-L120 HydrophobicContact CD1-CD2 3.78Å; L115-L120 HydrophobicContact CD1-CG 4.42Å; K116-L120 PolarHBondContact O-N 3.44Å; C117-L120 WeakPolarHBondContact O-CB 3.36Å; C117-L120 PolarHBondContact O-N 3Å; C117-L120 VanDerWaalsContact O-N 3.14Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 2.91Å; L120-Y123 WeakPolarHBondContact O-CB 3.46Å; L120-Y123 PolarHBondContact O-N 3Å; L120-I124 PolarHBondContact O-N 3.34Å; L120-I124 VanDerWaalsContact O-N 3.15Å; L120-I149 HydrophobicContact CB-CD1 3.63Å; L120-I149 HydrophobicContact CB-CG1 4.23Å; L120-I149 HydrophobicContact CD1-CD1 4.48Å; L120-I149 HydrophobicContact CD1-CG1 4.16Å; L120-Y155 HydrophobicContact CD1-CD2 4.13Å; L120-Y155 HydrophobicContact CD1-CE1 4.43Å; L120-Y155 HydrophobicContact CD1-CE2 3.69Å |
| 121 | L | 90.9 | Very high | 86.5 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 177.1 | -70.5 | 178.4 | 0 | 0 | 0 | 111.5 | C117 Q118 Y123 I124 M125 L145 I149 I159 Q163 M167 | C117-L121 WeakPolarHBondContact O-CG 3.12Å; C117-L121 PolarHBondContact O-N 3.33Å; Q118-L121 PolarHBondContact O-N 3.47Å; L121-Y123 VanDerWaalsContact C-N 3.29Å; L121-Y123 PolarHBondContact O-N 2.61Å; L121-I124 PolarHBondContact O-N 3.17Å; L121-I124 VanDerWaalsContact O-N 3.17Å; L121-M125 WeakPolarHBondContact O-CB 3.37Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.44Å; L121-M125 PolarHBondContact O-N 3.1Å; L121-L145 HydrophobicContact CD2-CD1 4.46Å; L121-I149 HydrophobicContact CD2-CD1 4.38Å; L121-I149 HydrophobicContact CD2-CG2 4.41Å; L121-I159 HydrophobicContact CD1-CD1 4.28Å; L121-I159 HydrophobicContact CD1-CG1 4.07Å; L121-I159 HydrophobicContact CD1-CG2 4.05Å; L121-I159 HydrophobicContact CD2-CD1 4.27Å; L121-Q163 HydrophobicContact CD1-CB 4.43Å; L121-M167 HydrophobicContact CD2-CE 4.06Å; L121-M167 HydrophobicContact CD2-SD 3.89Å |
| 122 | N | 89.4 | Confident | 84.9 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 32% | 0.321 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 175.5 | -72.2 | -7.6 | 0 | 0 | 0 | 110.8 | Q118 I124 M125 D126 | Q118-N122 PolarHBondContact NE2-OD1 3.38Å; Q118-N122 WeakPolarHBondContact O-CB 3.28Å; Q118-N122 PolarHBondContact O-N 2.85Å; Q118-N122 PolarHBondContact O-ND2 3.46Å; Q118-N122 PolarHBondContact O-OD1 3.39Å; N122-I124 PolarHBondContact O-N 3.16Å; N122-M125 PolarHBondContact O-N 3.27Å; N122-D126 VanDerWaalsContact O-CB 3.32Å; N122-D126 WeakPolarHBondContact O-CB 3.38Å; N122-D126 PolarHBondContact O-N 3.05Å |
| 123 | Y | 89.4 | Confident | 83.2 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 175.5 | 172.1 | -104.8 | 0 | 0 | 0 | 112.6 | F61 Q65 I68 V101 E119 L120 L121 T127 I144 | F61-Y123 HydrophobicContact CZ-CD1 4.47Å; F61-Y123 HydrophobicContact CZ-CG 4.04Å; Q65-Y123 HydrophobicContact CG-CD2 4.17Å; I68-Y123 HydrophobicContact CD1-CE2 3.77Å; V101-Y123 HydrophobicContact CG1-CD1 4.27Å; V101-Y123 HydrophobicContact CG1-CE1 3.71Å; V101-Y123 HydrophobicContact CG2-CE2 4.23Å; E119-Y123 PolarHBondContact O-N 3.14Å; E119-Y123 VanDerWaalsContact O-N 3.09Å; L120-Y123 WeakPolarHBondContact O-CB 3.46Å; L120-Y123 PolarHBondContact O-N 3Å; L121-Y123 VanDerWaalsContact C-N 3.29Å; L121-Y123 PolarHBondContact O-N 2.61Å; Y123-T127 WeakPolarHBondContact CE2-OG1 3.48Å; Y123-T127 VanDerWaalsContact O-CB 3.29Å; Y123-T127 WeakPolarHBondContact O-CB 3.37Å; Y123-T127 PolarHBondContact O-N 3.34Å; Y123-T127 PolarHBondContact O-OG1 3.04Å; Y123-I144 HydrophobicContact CE1-CD1 4.04Å |
| 124 | I | 88.4 | Confident | 81.5 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -48.4 | -179.9 | -72.5 | 162.3 | 0 | 0 | 0 | 110.4 | L120 L121 N122 D126 T127 V128 C141 I144 L145 I149 | L120-I124 PolarHBondContact O-N 3.34Å; L120-I124 VanDerWaalsContact O-N 3.15Å; L121-I124 PolarHBondContact O-N 3.17Å; L121-I124 VanDerWaalsContact O-N 3.17Å; N122-I124 PolarHBondContact O-N 3.16Å; I124-D126 PolarHBondContact O-N 3.38Å; I124-T127 PolarHBondContact O-N 3.24Å; I124-V128 HydrophobicContact CG2-CG2 4.15Å; I124-V128 WeakPolarHBondContact O-CB 3.28Å; I124-V128 VanDerWaalsContact O-CG2 3.27Å; I124-V128 WeakPolarHBondContact O-CG2 3.25Å; I124-V128 PolarHBondContact O-N 3.12Å; I124-C141 HydrophobicContact CG2-CB 4.28Å; I124-I144 HydrophobicContact CD1-CG2 4.27Å; I124-L145 HydrophobicContact CD1-CB 3.87Å; I124-L145 HydrophobicContact CD1-CD1 4.14Å; I124-I149 HydrophobicContact CD1-CD1 3.2Å; I124-I149 HydrophobicContact CD1-CG1 4.47Å; I124-I149 HydrophobicContact CG1-CD1 4.5Å |
| 125 | M | 85.3 | Confident | 79.9 | Confident | 37 Ų | 37 | 52 Ų | 52 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | -177.3 | -69.5 | -56.3 | -71.4 | 0 | 0 | 111.8 | L121 N122 T127 K129 G166 M167 | L121-M125 WeakPolarHBondContact O-CB 3.37Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.44Å; L121-M125 PolarHBondContact O-N 3.1Å; N122-M125 PolarHBondContact O-N 3.27Å; M125-T127 VanDerWaalsContact C-N 3.33Å; M125-T127 PolarHBondContact O-N 3.03Å; M125-K129 VanDerWaalsContact O-CB 3.23Å; M125-K129 WeakPolarHBondContact O-CB 3.44Å; M125-K129 WeakPolarHBondContact O-CD 3.46Å; M125-K129 WeakPolarHBondContact O-CG 3.38Å; M125-K129 PolarHBondContact O-N 3.41Å; M125-G166 WeakPolarHBondContact CE-O 3.42Å; M125-M167 HydrophobicContact SD-CB 4.42Å; M125-M167 HydrophobicContact SD-CG 3.7Å |
| 126 | D | 84.1 | Confident | 78.5 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 178.6 | -68 | -16 | 0 | 0 | 0 | 111.5 | N122 I124 | N122-D126 VanDerWaalsContact O-CB 3.32Å; N122-D126 WeakPolarHBondContact O-CB 3.38Å; N122-D126 PolarHBondContact O-N 3.05Å; I124-D126 PolarHBondContact O-N 3.38Å |
| 127 | T | 80.8 | Confident | 77.4 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.1 | -37.7 | 180 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | Y123 I124 M125 Y137 C141 | Y123-T127 WeakPolarHBondContact CE2-OG1 3.48Å; Y123-T127 VanDerWaalsContact O-CB 3.29Å; Y123-T127 WeakPolarHBondContact O-CB 3.37Å; Y123-T127 PolarHBondContact O-N 3.34Å; Y123-T127 PolarHBondContact O-OG1 3.04Å; I124-T127 PolarHBondContact O-N 3.24Å; M125-T127 VanDerWaalsContact C-N 3.33Å; M125-T127 PolarHBondContact O-N 3.03Å; T127-Y137 VanDerWaalsContact CG2-CB 3.5Å; T127-Y137 HydrophobicContact CG2-CD1 4.2Å; T127-Y137 HydrophobicContact CG2-CD2 4.15Å; T127-Y137 HydrophobicContact CG2-CG 3.72Å; T127-C141 VanDerWaalsContact CG2-SG 3.58Å |
| 128 | V | 76.1 | Confident | 76.7 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -77.1 | -34.9 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | I124 D130 C141 | I124-V128 HydrophobicContact CG2-CG2 4.15Å; I124-V128 WeakPolarHBondContact O-CB 3.28Å; I124-V128 VanDerWaalsContact O-CG2 3.27Å; I124-V128 WeakPolarHBondContact O-CG2 3.25Å; I124-V128 PolarHBondContact O-N 3.12Å; V128-D130 PolarHBondContact O-N 3.12Å; V128-C141 HydrophobicContact CG2-CB 3.81Å |
| 129 | K | 73.6 | Confident | 76.2 | Confident | 148 Ų | 148 | 48.9 Ų | 48.9 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66 | -22.2 | 176 | -76.5 | 175.1 | -178.9 | 178.6 | 0 | 113.2 | M125 S131 | M125-K129 VanDerWaalsContact O-CB 3.23Å; M125-K129 WeakPolarHBondContact O-CB 3.44Å; M125-K129 WeakPolarHBondContact O-CD 3.46Å; M125-K129 WeakPolarHBondContact O-CG 3.38Å; M125-K129 PolarHBondContact O-N 3.41Å; K129-S131 VanDerWaalsContact C-N 3.34Å; K129-S131 PolarHBondContact O-N 3.12Å |
| 130 | D | 69.4 | Low | 75.8 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | trans | -73.4 | 89.2 | 172.9 | -174.8 | 6.6 | 0 | 0 | 0 | 110.5 | V128 S132 N133 G134 | V128-D130 PolarHBondContact O-N 3.12Å; D130-S132 PolarHBondContact O-N 3.45Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 2.91Å; D130-S132 PolarHBondContact OD1-OG 3.42Å; D130-S132 PolarHBondContact OD2-OG 3.27Å; D130-N133 PolarHBondContact O-N 2.68Å; D130-N133 PolarHBondContact OD2-ND2 3.35Å; D130-G134 PolarHBondContact O-N 3.48Å | ||
| 131 | S | 55.8 | Low | 75.4 | Confident | 115 Ų | 115 | 48.6 Ų | 48.6 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.9 | -177.7 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | K129 N133 | K129-S131 VanDerWaalsContact C-N 3.34Å; K129-S131 PolarHBondContact O-N 3.12Å; S131-N133 VanDerWaalsContact C-N 3.32Å |
| 132 | S | 60.8 | Low | 75.2 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -22.1 | -179.1 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | D130 | D130-S132 PolarHBondContact O-N 3.45Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 2.91Å; D130-S132 PolarHBondContact OD1-OG 3.42Å; D130-S132 PolarHBondContact OD2-OG 3.27Å |
| 133 | N | 58.5 | Low | 75.2 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 7.2 | -174.8 | -61.1 | -56.6 | 0 | 0 | 0 | 113.8 | T72 M94 D130 S131 A135 I136 Y137 | T72-N133 WeakPolarHBondContact CG2-ND2 3.34Å; M94-N133 HydrophobicContact CE-CB 3.75Å; M94-N133 WeakPolarHBondContact CE-OD1 3.25Å; D130-N133 PolarHBondContact O-N 2.68Å; D130-N133 PolarHBondContact OD2-ND2 3.35Å; S131-N133 VanDerWaalsContact C-N 3.32Å; N133-A135 VanDerWaalsContact C-N 3.29Å; N133-A135 PolarHBondContact O-N 3.46Å; N133-A135 VanDerWaalsContact O-N 3.13Å; N133-I136 PolarHBondContact O-N 2.93Å; N133-Y137 HydrophobicContact CB-CD2 3.57Å; N133-Y137 HydrophobicContact CB-CE2 3.86Å; N133-Y137 PolarHBondContact O-N 2.97Å; N133-Y137 VanDerWaalsContact O-N 3.17Å |
| 134 | G | 57.4 | Low | 75.2 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56 | -33.7 | -168 | 0 | 0 | 0 | 0 | 0 | 115.3 | D130 G138 | D130-G134 PolarHBondContact O-N 3.48Å; G134-G138 WeakPolarHBondContact O-CA 2.88Å; G134-G138 PolarHBondContact O-N 2.73Å |
| 135 | A | 61.4 | Low | 75.3 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 83% | 0.826 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -71.2 | -32.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N133 | N133-A135 VanDerWaalsContact C-N 3.29Å; N133-A135 PolarHBondContact O-N 3.46Å; N133-A135 VanDerWaalsContact O-N 3.13Å |
| 136 | I | 65.6 | Low | 75.6 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -86.9 | -47.2 | -174.6 | -63 | 172.9 | 0 | 0 | 0 | 110.3 | Q91 M94 N133 | Q91-I136 HydrophobicContact CG-CD1 4.14Å; M94-I136 HydrophobicContact CB-CG2 3.84Å; M94-I136 HydrophobicContact CE-CB 3.91Å; M94-I136 HydrophobicContact CE-CD1 3.67Å; M94-I136 HydrophobicContact CE-CG1 4.34Å; M94-I136 HydrophobicContact CE-CG2 3.99Å; M94-I136 HydrophobicContact SD-CD1 3.54Å; M94-I136 VanDerWaalsContact SD-CD1 3.54Å; M94-I136 HydrophobicContact SD-CG2 4.4Å; N133-I136 PolarHBondContact O-N 2.93Å |
| 137 | Y | 70.9 | Confident | 75.9 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -82.8 | -19.2 | 178.3 | -67.6 | -69.4 | 0 | 0 | 0 | 113.5 | M94 T127 N133 A139 D140 C141 | M94-Y137 HydrophobicContact CE-CD2 4.04Å; M94-Y137 HydrophobicContact CE-CE2 3.45Å; M94-Y137 VanDerWaalsContact CE-CE2 3.45Å; T127-Y137 VanDerWaalsContact CG2-CB 3.5Å; T127-Y137 HydrophobicContact CG2-CD1 4.2Å; T127-Y137 HydrophobicContact CG2-CD2 4.15Å; T127-Y137 HydrophobicContact CG2-CG 3.72Å; N133-Y137 HydrophobicContact CB-CD2 3.57Å; N133-Y137 HydrophobicContact CB-CE2 3.86Å; N133-Y137 PolarHBondContact O-N 2.97Å; N133-Y137 VanDerWaalsContact O-N 3.17Å; Y137-A139 PolarHBondContact O-N 2.73Å; Y137-D140 PolarHBondContact O-N 3.16Å; Y137-D140 VanDerWaalsContact O-N 3.16Å; Y137-C141 WeakPolarHBondContact O-CB 3.48Å; Y137-C141 PolarHBondContact O-N 3.38Å; Y137-C141 PolarHBondContact O-SG 2.97Å |
| 138 | G | 76.4 | Confident | 76.4 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G134 D140 S142 | G134-G138 WeakPolarHBondContact O-CA 2.88Å; G134-G138 PolarHBondContact O-N 2.73Å; G138-D140 VanDerWaalsContact C-N 3.3Å; G138-D140 PolarHBondContact O-N 3.45Å; G138-S142 VanDerWaalsContact O-CB 3.24Å; G138-S142 WeakPolarHBondContact O-CB 3.17Å; G138-S142 PolarHBondContact O-N 2.73Å; G138-S142 PolarHBondContact O-OG 3.05Å |
| 139 | A | 80.8 | Confident | 77.1 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y137 N143 | Y137-A139 PolarHBondContact O-N 2.73Å; A139-N143 VanDerWaalsContact O-CB 3.28Å; A139-N143 WeakPolarHBondContact O-CB 3.47Å; A139-N143 PolarHBondContact O-N 3.05Å |
| 140 | D | 82.9 | Confident | 77.9 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.2 | -40.9 | -179.7 | -73.7 | -37.5 | 0 | 0 | 0 | 113.2 | S98 K102 Y137 G138 S142 N143 I144 | S98-D140 WeakPolarHBondContact CB-OD2 3.4Å; S98-D140 WeakPolarHBondContact OG-CB 3.47Å; S98-D140 PolarHBondContact OG-OD2 3.46Å; K102-D140 WeakPolarHBondContact CE-O 3.29Å; K102-D140 WeakPolarHBondContact CE-OD1 3.05Å; K102-D140 IonicContact NZ-OD1 2.62Å; K102-D140 PolarHBondContact NZ-OD1 2.81Å; Y137-D140 PolarHBondContact O-N 3.16Å; Y137-D140 VanDerWaalsContact O-N 3.16Å; G138-D140 VanDerWaalsContact C-N 3.3Å; G138-D140 PolarHBondContact O-N 3.45Å; D140-S142 VanDerWaalsContact C-N 3.34Å; D140-N143 WeakPolarHBondContact O-CB 3.35Å; D140-N143 PolarHBondContact O-N 3.05Å; D140-I144 WeakPolarHBondContact O-CG1 3.11Å; D140-I144 PolarHBondContact O-N 2.87Å |
| 141 | C | 85.5 | Confident | 79 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.2 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | I124 T127 V128 Y137 N143 I144 L145 | I124-C141 HydrophobicContact CG2-CB 4.28Å; T127-C141 VanDerWaalsContact CG2-SG 3.58Å; V128-C141 HydrophobicContact CG2-CB 3.81Å; Y137-C141 WeakPolarHBondContact O-CB 3.48Å; Y137-C141 PolarHBondContact O-N 3.38Å; Y137-C141 PolarHBondContact O-SG 2.97Å; C141-N143 VanDerWaalsContact C-N 3.3Å; C141-N143 PolarHBondContact O-N 2.92Å; C141-I144 PolarHBondContact O-N 3.06Å; C141-L145 WeakPolarHBondContact O-CB 3.42Å; C141-L145 PolarHBondContact O-N 2.92Å |
| 142 | S | 87.3 | Confident | 80.8 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 42% | 0.42 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 173.1 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | G138 D140 L145 L146 | G138-S142 VanDerWaalsContact O-CB 3.24Å; G138-S142 WeakPolarHBondContact O-CB 3.17Å; G138-S142 PolarHBondContact O-N 2.73Å; G138-S142 PolarHBondContact O-OG 3.05Å; D140-S142 VanDerWaalsContact C-N 3.34Å; S142-L145 PolarHBondContact O-N 3.23Å; S142-L146 WeakPolarHBondContact O-CB 3.33Å; S142-L146 WeakPolarHBondContact O-CG 3.41Å; S142-L146 PolarHBondContact O-N 3.21Å |
| 143 | N | 89.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 177.4 | -173.7 | -102.6 | 0 | 0 | 0 | 112 | K102 A139 D140 C141 L145 L146 K147 | K102-N143 WeakPolarHBondContact CE-OD1 3.38Å; K102-N143 PolarHBondContact NZ-OD1 3.49Å; A139-N143 VanDerWaalsContact O-CB 3.28Å; A139-N143 WeakPolarHBondContact O-CB 3.47Å; A139-N143 PolarHBondContact O-N 3.05Å; D140-N143 WeakPolarHBondContact O-CB 3.35Å; D140-N143 PolarHBondContact O-N 3.05Å; C141-N143 VanDerWaalsContact C-N 3.3Å; C141-N143 PolarHBondContact O-N 2.92Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 2.91Å; N143-L146 PolarHBondContact O-N 3.13Å; N143-K147 WeakPolarHBondContact O-CB 3.16Å; N143-K147 WeakPolarHBondContact O-CG 3.37Å; N143-K147 PolarHBondContact O-N 3.44Å |
| 144 | I | 90.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 175 | -68.8 | 165.2 | 0 | 0 | 0 | 109.8 | V101 K102 I105 Y123 I124 D140 C141 L146 D148 I149 | V101-I144 HydrophobicContact CG1-CD1 3.97Å; K102-I144 HydrophobicContact CD-CG1 4.41Å; K102-I144 HydrophobicContact CG-CD1 3.81Å; K102-I144 HydrophobicContact CG-CG1 3.61Å; I105-I144 HydrophobicContact CD1-CD1 4.35Å; I105-I144 HydrophobicContact CD1-CG1 4.45Å; I105-I144 HydrophobicContact CD1-CG2 3.69Å; Y123-I144 HydrophobicContact CE1-CD1 4.04Å; I124-I144 HydrophobicContact CD1-CG2 4.27Å; D140-I144 WeakPolarHBondContact O-CG1 3.11Å; D140-I144 PolarHBondContact O-N 2.87Å; C141-I144 PolarHBondContact O-N 3.06Å; I144-L146 PolarHBondContact O-N 3.16Å; I144-D148 HydrophobicContact CG2-CB 4.37Å; I144-D148 WeakPolarHBondContact O-CA 3.45Å; I144-D148 WeakPolarHBondContact O-CB 3.45Å; I144-D148 PolarHBondContact O-N 3.41Å; I144-I149 HydrophobicContact CG2-CD1 4.34Å; I144-I149 HydrophobicContact CG2-CG1 4.41Å; I144-I149 PolarHBondContact O-N 3.41Å; I144-I149 VanDerWaalsContact O-N 3.15Å |
| 145 | L | 90.1 | Very high | 85.6 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -57 | -55.6 | 179.8 | 178.4 | 56.8 | 0 | 0 | 0 | 110.9 | L121 I124 C141 S142 N143 I149 L150 M167 | L121-L145 HydrophobicContact CD2-CD1 4.46Å; I124-L145 HydrophobicContact CD1-CB 3.87Å; I124-L145 HydrophobicContact CD1-CD1 4.14Å; C141-L145 WeakPolarHBondContact O-CB 3.42Å; C141-L145 PolarHBondContact O-N 2.92Å; S142-L145 PolarHBondContact O-N 3.23Å; N143-L145 VanDerWaalsContact C-N 3.33Å; N143-L145 PolarHBondContact O-N 2.91Å; L145-I149 HydrophobicContact CD1-CB 4.26Å; L145-I149 HydrophobicContact CD1-CD1 4.31Å; L145-I149 HydrophobicContact CD1-CG2 4.43Å; L145-I149 WeakPolarHBondContact O-CB 3.35Å; L145-I149 PolarHBondContact O-N 2.98Å; L145-L150 HydrophobicContact CD1-CD1 3.97Å; L145-L150 HydrophobicContact CD1-CD2 3.9Å; L145-L150 HydrophobicContact CD1-CG 3.67Å; L145-L150 HydrophobicContact CD2-CD1 4.45Å; L145-L150 HydrophobicContact CG-CD1 3.88Å; L145-L150 HydrophobicContact CG-CG 4.02Å; L145-L150 WeakPolarHBondContact O-CB 3.26Å; L145-L150 WeakPolarHBondContact O-CG 3.49Å; L145-L150 PolarHBondContact O-N 3.26Å; L145-M167 HydrophobicContact CD1-CE 3.31Å; L145-M167 HydrophobicContact CD2-CE 3.4Å; L145-M167 HydrophobicContact CG-CE 3.99Å |
| 146 | L | 90.6 | Very high | 86.9 | Confident | 105 Ų | 105 | 57 Ų | 57 | 55% | 0.55 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -69.9 | -39.4 | -174.8 | -67.1 | 169.9 | 0 | 0 | 0 | 112.8 | S142 N143 I144 L150 S151 | S142-L146 WeakPolarHBondContact O-CB 3.33Å; S142-L146 WeakPolarHBondContact O-CG 3.41Å; S142-L146 PolarHBondContact O-N 3.21Å; N143-L146 PolarHBondContact O-N 3.13Å; I144-L146 PolarHBondContact O-N 3.16Å; L146-L150 HydrophobicContact CD2-CD1 4.28Å; L146-S151 PolarHBondContact O-N 3.02Å |
| 147 | K | 90.9 | Very high | 88.1 | Confident | 140 Ų | 140 | 59.1 Ų | 59.1 | 61% | 0.609 | 31% | 0.311 | S | S | * | . | I | π-helix | trans | -98.8 | -27.4 | -169 | -61.5 | -61.3 | -173.2 | -176.9 | 0 | 114.5 | N143 S151 | N143-K147 WeakPolarHBondContact O-CB 3.16Å; N143-K147 WeakPolarHBondContact O-CG 3.37Å; N143-K147 PolarHBondContact O-N 3.44Å; K147-S151 PolarHBondContact O-OG 3.43Å |
| 148 | D | 90.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.214 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -115 | -17.3 | -175 | -60.9 | -74.7 | 0 | 0 | 0 | 113.2 | I105 I144 V152 Y155 | I105-D148 HydrophobicContact CG2-CB 3.95Å; I144-D148 HydrophobicContact CG2-CB 4.37Å; I144-D148 WeakPolarHBondContact O-CA 3.45Å; I144-D148 WeakPolarHBondContact O-CB 3.45Å; I144-D148 PolarHBondContact O-N 3.41Å; D148-V152 VanDerWaalsContact O-CG2 3.3Å; D148-V152 WeakPolarHBondContact O-CG2 3.44Å; D148-Y155 WeakPolarHBondContact O-CD2 3.13Å |
| 149 | I | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -109.3 | -66.6 | 178.3 | -53.3 | -178.6 | 0 | 0 | 0 | 111.3 | L120 L121 I124 I144 L145 S151 V152 I159 | L120-I149 HydrophobicContact CB-CD1 3.63Å; L120-I149 HydrophobicContact CB-CG1 4.23Å; L120-I149 HydrophobicContact CD1-CD1 4.48Å; L120-I149 HydrophobicContact CD1-CG1 4.16Å; L121-I149 HydrophobicContact CD2-CD1 4.38Å; L121-I149 HydrophobicContact CD2-CG2 4.41Å; I124-I149 HydrophobicContact CD1-CD1 3.2Å; I124-I149 HydrophobicContact CD1-CG1 4.47Å; I124-I149 HydrophobicContact CG1-CD1 4.5Å; I144-I149 HydrophobicContact CG2-CD1 4.34Å; I144-I149 HydrophobicContact CG2-CG1 4.41Å; I144-I149 PolarHBondContact O-N 3.41Å; I144-I149 VanDerWaalsContact O-N 3.15Å; L145-I149 HydrophobicContact CD1-CB 4.26Å; L145-I149 HydrophobicContact CD1-CD1 4.31Å; L145-I149 HydrophobicContact CD1-CG2 4.43Å; L145-I149 WeakPolarHBondContact O-CB 3.35Å; L145-I149 PolarHBondContact O-N 2.98Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 3.06Å; I149-V152 PolarHBondContact O-N 2.92Å; I149-I159 HydrophobicContact CG2-CD1 4.27Å |
| 150 | L | 90.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.2 | -171.8 | -60 | -173.2 | 0 | 0 | 0 | 113 | L145 L146 V152 W156 I159 W164 | L145-L150 HydrophobicContact CD1-CD1 3.97Å; L145-L150 HydrophobicContact CD1-CD2 3.9Å; L145-L150 HydrophobicContact CD1-CG 3.67Å; L145-L150 HydrophobicContact CD2-CD1 4.45Å; L145-L150 HydrophobicContact CG-CD1 3.88Å; L145-L150 HydrophobicContact CG-CG 4.02Å; L145-L150 WeakPolarHBondContact O-CB 3.26Å; L145-L150 WeakPolarHBondContact O-CG 3.49Å; L145-L150 PolarHBondContact O-N 3.26Å; L146-L150 HydrophobicContact CD2-CD1 4.28Å; L150-V152 VanDerWaalsContact C-N 3.26Å; L150-V152 PolarHBondContact O-N 3.14Å; L150-W156 HydrophobicContact CB-CE3 3.92Å; L150-W156 HydrophobicContact CB-CZ3 4.03Å; L150-W156 HydrophobicContact CD1-CZ3 4.26Å; L150-W156 HydrophobicContact CD2-CE3 3.72Å; L150-W156 HydrophobicContact CD2-CZ3 3.84Å; L150-W156 HydrophobicContact CG-CE3 4.32Å; L150-W156 HydrophobicContact CG-CZ3 4.23Å; L150-I159 HydrophobicContact CD2-CD1 3.58Å; L150-W164 HydrophobicContact CD1-CH2 3.8Å; L150-W164 HydrophobicContact CD1-CZ3 4.26Å; L150-W164 HydrophobicContact CD2-CH2 3.32Å; L150-W164 HydrophobicContact CD2-CZ2 3.76Å; L150-W164 HydrophobicContact CD2-CZ3 4.23Å; L150-W164 HydrophobicContact CG-CH2 4.18Å |
| 151 | S | 91.8 | Very high | 90.3 | Very high | 77 Ų | 77 | 68 Ų | 68 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.9 | 172.6 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | L146 K147 I149 | L146-S151 PolarHBondContact O-N 3.02Å; K147-S151 PolarHBondContact O-OG 3.43Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 3.06Å |
| 152 | V | 93.6 | Very high | 90.3 | Very high | 36 Ų | 36 | 75.9 Ų | 75.9 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -98.4 | 109.9 | -174.5 | 177.8 | 0 | 0 | 0 | 0 | 109 | P113 D148 I149 L150 K154 Y155 W156 | P113-V152 HydrophobicContact CB-CG1 3.79Å; P113-V152 HydrophobicContact CG-CG1 3.47Å; P113-V152 VanDerWaalsContact CG-CG1 3.47Å; D148-V152 VanDerWaalsContact O-CG2 3.3Å; D148-V152 WeakPolarHBondContact O-CG2 3.44Å; I149-V152 PolarHBondContact O-N 2.92Å; L150-V152 VanDerWaalsContact C-N 3.26Å; L150-V152 PolarHBondContact O-N 3.14Å; V152-K154 HydrophobicContact CG1-CB 4.32Å; V152-K154 PolarHBondContact O-N 3.33Å; V152-K154 VanDerWaalsContact O-N 3.09Å; V152-Y155 HydrophobicContact CB-CD2 3.62Å; V152-Y155 HydrophobicContact CB-CE2 4.25Å; V152-Y155 HydrophobicContact CB-CG 4.28Å; V152-Y155 HydrophobicContact CG1-CD2 3.65Å; V152-Y155 HydrophobicContact CG1-CE2 4Å; V152-Y155 HydrophobicContact CG1-CG 4.12Å; V152-Y155 HydrophobicContact CG2-CD2 4.17Å; V152-Y155 HydrophobicContact CG2-CE2 4.44Å; V152-Y155 PolarHBondContact O-N 2.81Å; V152-W156 PolarHBondContact O-N 3.26Å |
| 153 | R | 91.5 | Very high | 90.2 | Very high | 215 Ų | 215 | 75 Ų | 75 | 81% | 0.811 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -50.3 | -40.8 | -176.1 | -173.2 | 176 | -178.8 | 177.5 | 1.4 | 113.9 | Y155 C157 | R153-Y155 PolarHBondContact O-N 2.8Å; R153-C157 WeakPolarHBondContact O-CB 3.5Å; R153-C157 PolarHBondContact O-N 3.47Å; R153-C157 VanDerWaalsContact O-N 3.1Å; R153-C157 PolarHBondContact O-SG 3.25Å |
| 154 | K | 93.5 | Very high | 90 | Very high | 89 Ų | 89 | 74.7 Ų | 74.7 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.2 | -51.4 | 177 | 173.2 | 176.5 | 161.4 | -171.2 | 0 | 111.1 | P113 V152 C157 E158 | P113-K154 HydrophobicContact CB-CB 4.48Å; P113-K154 HydrophobicContact CB-CD 4.07Å; P113-K154 HydrophobicContact CG-CB 4.15Å; P113-K154 HydrophobicContact CG-CD 4.25Å; P113-K154 PolarHBondContact O-NZ 3.49Å; V152-K154 HydrophobicContact CG1-CB 4.32Å; V152-K154 PolarHBondContact O-N 3.33Å; V152-K154 VanDerWaalsContact O-N 3.09Å; K154-C157 PolarHBondContact O-N 3.23Å; K154-E158 WeakPolarHBondContact CE-OE1 3.44Å; K154-E158 VanDerWaalsContact CG-OE1 3.26Å; K154-E158 WeakPolarHBondContact CG-OE1 3.39Å; K154-E158 WeakPolarHBondContact O-CG 3.23Å; K154-E158 PolarHBondContact O-N 2.95Å |
| 155 | Y | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.2 | -45.4 | -176.8 | -60.5 | -31.2 | 0 | 0 | 0 | 111.6 | N109 P113 L115 C117 L120 D148 V152 R153 C157 E158 I159 | N109-Y155 WeakPolarHBondContact ND2-CE2 3.49Å; N109-Y155 PolarHBondContact ND2-OH 2.62Å; N109-Y155 PolarHBondContact OD1-OH 2.76Å; N109-Y155 VanDerWaalsContact OD1-OH 3.12Å; P113-Y155 WeakPolarHBondContact CA-OH 3.47Å; P113-Y155 HydrophobicContact CB-CE1 3.75Å; P113-Y155 HydrophobicContact CB-CE2 3.79Å; P113-Y155 WeakPolarHBondContact CB-OH 3.43Å; L115-Y155 PolarHBondContact N-OH 3.44Å; L115-Y155 WeakPolarHBondContact O-CE1 3.46Å; L115-Y155 PolarHBondContact O-OH 3.02Å; C117-Y155 HydrophobicContact CB-CD1 3.82Å; C117-Y155 HydrophobicContact CB-CG 4.33Å; C117-Y155 PolarHBondContact SG-O 3.03Å; L120-Y155 HydrophobicContact CD1-CD2 4.13Å; L120-Y155 HydrophobicContact CD1-CE1 4.43Å; L120-Y155 HydrophobicContact CD1-CE2 3.69Å; D148-Y155 WeakPolarHBondContact O-CD2 3.13Å; V152-Y155 HydrophobicContact CB-CD2 3.62Å; V152-Y155 HydrophobicContact CB-CE2 4.25Å; V152-Y155 HydrophobicContact CB-CG 4.28Å; V152-Y155 HydrophobicContact CG1-CD2 3.65Å; V152-Y155 HydrophobicContact CG1-CE2 4Å; V152-Y155 HydrophobicContact CG1-CG 4.12Å; V152-Y155 HydrophobicContact CG2-CD2 4.17Å; V152-Y155 HydrophobicContact CG2-CE2 4.44Å; V152-Y155 PolarHBondContact O-N 2.81Å; R153-Y155 PolarHBondContact O-N 2.8Å; Y155-C157 PolarHBondContact O-N 3.45Å; Y155-E158 PolarHBondContact O-N 3.1Å; Y155-I159 VanDerWaalsContact O-CG1 3.23Å; Y155-I159 WeakPolarHBondContact O-CG1 2.96Å; Y155-I159 PolarHBondContact O-N 3.09Å |
| 156 | W | 88 | Confident | 89 | Confident | 127 Ų | 127 | 81 Ų | 81 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -49.9 | -45.7 | 175 | -179.1 | -86.9 | 0 | 0 | 0 | 112.7 | L150 V152 E158 I159 W164 | L150-W156 HydrophobicContact CB-CE3 3.92Å; L150-W156 HydrophobicContact CB-CZ3 4.03Å; L150-W156 HydrophobicContact CD1-CZ3 4.26Å; L150-W156 HydrophobicContact CD2-CE3 3.72Å; L150-W156 HydrophobicContact CD2-CZ3 3.84Å; L150-W156 HydrophobicContact CG-CE3 4.32Å; L150-W156 HydrophobicContact CG-CZ3 4.23Å; V152-W156 PolarHBondContact O-N 3.26Å; W156-E158 VanDerWaalsContact C-N 3.29Å; W156-E158 PolarHBondContact O-N 3.18Å; W156-I159 PolarHBondContact O-N 3.31Å; W156-W164 HydrophobicContact CD2-CZ2 4.19Å; W156-W164 HydrophobicContact CE3-CH2 4.05Å; W156-W164 AromaticContact CE3-CZ2 3.73Å; W156-W164 HydrophobicContact CE3-CZ2 3.73Å; W156-W164 AromaticContact CH2-CH2 3.59Å; W156-W164 HydrophobicContact CH2-CH2 3.59Å; W156-W164 AromaticContact CH2-CZ2 3.46Å; W156-W164 HydrophobicContact CH2-CZ2 3.46Å; W156-W164 VanDerWaalsContact CH2-CZ2 3.46Å; W156-W164 AromaticContact CZ2-CZ2 3.95Å; W156-W164 HydrophobicContact CZ2-CZ2 3.95Å; W156-W164 AromaticContact CZ3-CH2 3.34Å; W156-W164 HydrophobicContact CZ3-CH2 3.34Å; W156-W164 AromaticContact CZ3-CZ2 3.36Å; W156-W164 HydrophobicContact CZ3-CZ2 3.36Å |
| 157 | C | 90.3 | Very high | 88.1 | Confident | 95 Ų | 95 | 77.8 Ų | 77.8 | 64% | 0.642 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.6 | -18.1 | 179.6 | -67.7 | 0 | 0 | 0 | 0 | 114.3 | R153 K154 Y155 | R153-C157 WeakPolarHBondContact O-CB 3.5Å; R153-C157 PolarHBondContact O-N 3.47Å; R153-C157 VanDerWaalsContact O-N 3.1Å; R153-C157 PolarHBondContact O-SG 3.25Å; K154-C157 PolarHBondContact O-N 3.23Å; Y155-C157 PolarHBondContact O-N 3.45Å |
| 158 | E | 93 | Very high | 86.8 | Confident | 92 Ų | 92 | 81.6 Ų | 81.6 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -87.3 | -14.2 | 178 | -73.9 | 173.3 | -161.8 | 0 | 0 | 112.7 | C117 K154 Y155 W156 S160 | C117-E158 HydrophobicContact CB-CB 3.77Å; C117-E158 WeakPolarHBondContact CB-OE2 3.5Å; C117-E158 PolarHBondContact N-OE2 3.47Å; K154-E158 WeakPolarHBondContact CE-OE1 3.44Å; K154-E158 VanDerWaalsContact CG-OE1 3.26Å; K154-E158 WeakPolarHBondContact CG-OE1 3.39Å; K154-E158 WeakPolarHBondContact O-CG 3.23Å; K154-E158 PolarHBondContact O-N 2.95Å; Y155-E158 PolarHBondContact O-N 3.1Å; W156-E158 VanDerWaalsContact C-N 3.29Å; W156-E158 PolarHBondContact O-N 3.18Å; E158-S160 PolarHBondContact O-N 3.46Å |
| 159 | I | 90.9 | Very high | 86.6 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 8% | 0.077 | 41% | 0.414 | C | S | . | . | trans | -76.8 | 116.6 | -179.8 | -45 | -170.2 | 0 | 0 | 0 | 110 | L121 I149 L150 Y155 W156 Q163 W164 | L121-I159 HydrophobicContact CD1-CD1 4.28Å; L121-I159 HydrophobicContact CD1-CG1 4.07Å; L121-I159 HydrophobicContact CD1-CG2 4.05Å; L121-I159 HydrophobicContact CD2-CD1 4.27Å; I149-I159 HydrophobicContact CG2-CD1 4.27Å; L150-I159 HydrophobicContact CD2-CD1 3.58Å; Y155-I159 VanDerWaalsContact O-CG1 3.23Å; Y155-I159 WeakPolarHBondContact O-CG1 2.96Å; Y155-I159 PolarHBondContact O-N 3.09Å; W156-I159 PolarHBondContact O-N 3.31Å; I159-Q163 HydrophobicContact CG2-CB 3.75Å; I159-W164 HydrophobicContact CD1-CH2 4.49Å; I159-W164 HydrophobicContact CD1-CZ2 3.91Å; I159-W164 VanDerWaalsContact CG2-CD1 3.46Å; I159-W164 HydrophobicContact CG2-CD2 4.04Å; I159-W164 HydrophobicContact CG2-CG 3.88Å | ||
| 160 | S | 88.4 | Confident | 86.4 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | trans | -73.3 | 159 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | E158 Q162 Q163 W164 | E158-S160 PolarHBondContact O-N 3.46Å; S160-Q162 PolarHBondContact O-N 3.41Å; S160-Q163 WeakPolarHBondContact O-CB 3.45Å; S160-Q163 PolarHBondContact O-N 3.2Å; S160-Q163 VanDerWaalsContact O-N 3.09Å; S160-Q163 WeakPolarHBondContact OG-CG 3.47Å; S160-Q163 PolarHBondContact OG-N 3.33Å; S160-Q163 PolarHBondContact OG-OE1 3.46Å; S160-W164 PolarHBondContact O-N 2.79Å | ||
| 161 | Q | 85.8 | Confident | 86.1 | Confident | 155 Ų | 155 | 91.1 Ų | 91.1 | 72% | 0.724 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -56.6 | -37.7 | 175.6 | -173.5 | 179.5 | 5.7 | 0 | 0 | 112.7 | Q163 W164 L165 | Q161-Q163 VanDerWaalsContact C-N 3.34Å; Q161-Q163 PolarHBondContact O-N 3.05Å; Q161-W164 WeakPolarHBondContact O-CB 3.49Å; Q161-W164 PolarHBondContact O-N 3.19Å; Q161-L165 HydrophobicContact CG-CD1 4.43Å; Q161-L165 WeakPolarHBondContact O-CG 3.4Å; Q161-L165 PolarHBondContact O-N 3.2Å |
| 162 | Q | 85.4 | Confident | 85.8 | Confident | 166 Ų | 166 | 91.9 Ų | 91.9 | 78% | 0.776 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 177.5 | -70.8 | -177.4 | -31.5 | 0 | 0 | 112 | S160 L165 G166 | S160-Q162 PolarHBondContact O-N 3.41Å; Q162-L165 PolarHBondContact O-N 3.16Å; Q162-G166 PolarHBondContact O-N 2.96Å |
| 163 | Q | 85.6 | Confident | 85.3 | Confident | 42 Ų | 42 | 95.4 Ų | 95.4 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.6 | -70.7 | 166.3 | -68.2 | 0 | 0 | 111.4 | Q118 L121 I159 S160 Q161 G166 M167 | Q118-Q163 VanDerWaalsContact CD-NE2 3.34Å; L121-Q163 HydrophobicContact CD1-CB 4.43Å; I159-Q163 HydrophobicContact CG2-CB 3.75Å; S160-Q163 WeakPolarHBondContact O-CB 3.45Å; S160-Q163 PolarHBondContact O-N 3.2Å; S160-Q163 VanDerWaalsContact O-N 3.09Å; S160-Q163 WeakPolarHBondContact OG-CG 3.47Å; S160-Q163 PolarHBondContact OG-N 3.33Å; S160-Q163 PolarHBondContact OG-OE1 3.46Å; Q161-Q163 VanDerWaalsContact C-N 3.34Å; Q161-Q163 PolarHBondContact O-N 3.05Å; Q163-G166 PolarHBondContact O-N 2.88Å; Q163-M167 VanDerWaalsContact O-CG 3.28Å; Q163-M167 WeakPolarHBondContact O-CG 3.48Å; Q163-M167 PolarHBondContact O-N 2.8Å |
| 164 | W | 83.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 22% | 0.216 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58 | -48 | 173.7 | -84.7 | 115.3 | 0 | 0 | 0 | 112.6 | L150 W156 I159 S160 Q161 G166 M167 F168 | L150-W164 HydrophobicContact CD1-CH2 3.8Å; L150-W164 HydrophobicContact CD1-CZ3 4.26Å; L150-W164 HydrophobicContact CD2-CH2 3.32Å; L150-W164 HydrophobicContact CD2-CZ2 3.76Å; L150-W164 HydrophobicContact CD2-CZ3 4.23Å; L150-W164 HydrophobicContact CG-CH2 4.18Å; W156-W164 HydrophobicContact CD2-CZ2 4.19Å; W156-W164 HydrophobicContact CE3-CH2 4.05Å; W156-W164 AromaticContact CE3-CZ2 3.73Å; W156-W164 HydrophobicContact CE3-CZ2 3.73Å; W156-W164 AromaticContact CH2-CH2 3.59Å; W156-W164 HydrophobicContact CH2-CH2 3.59Å; W156-W164 AromaticContact CH2-CZ2 3.46Å; W156-W164 HydrophobicContact CH2-CZ2 3.46Å; W156-W164 VanDerWaalsContact CH2-CZ2 3.46Å; W156-W164 AromaticContact CZ2-CZ2 3.95Å; W156-W164 HydrophobicContact CZ2-CZ2 3.95Å; W156-W164 AromaticContact CZ3-CH2 3.34Å; W156-W164 HydrophobicContact CZ3-CH2 3.34Å; W156-W164 AromaticContact CZ3-CZ2 3.36Å; W156-W164 HydrophobicContact CZ3-CZ2 3.36Å; I159-W164 HydrophobicContact CD1-CH2 4.49Å; I159-W164 HydrophobicContact CD1-CZ2 3.91Å; I159-W164 VanDerWaalsContact CG2-CD1 3.46Å; I159-W164 HydrophobicContact CG2-CD2 4.04Å; I159-W164 HydrophobicContact CG2-CG 3.88Å; S160-W164 PolarHBondContact O-N 2.79Å; Q161-W164 WeakPolarHBondContact O-CB 3.49Å; Q161-W164 PolarHBondContact O-N 3.19Å; W164-G166 VanDerWaalsContact C-N 3.26Å; W164-G166 PolarHBondContact O-N 3.07Å; W164-M167 HydrophobicContact CE3-SD 4.43Å; W164-M167 PolarHBondContact O-N 2.78Å; W164-F168 AromaticContact CE3-CE2 3.9Å; W164-F168 HydrophobicContact CE3-CE2 3.9Å; W164-F168 HydrophobicContact CZ3-CE2 4.08Å; W164-F168 WeakPolarHBondContact O-CD2 3.43Å |
| 165 | L | 82.6 | Confident | 84.3 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 62% | 0.623 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64 | -31.6 | 177.1 | -69.9 | 172.5 | 0 | 0 | 0 | 112.4 | Q161 Q162 M167 | Q161-L165 HydrophobicContact CG-CD1 4.43Å; Q161-L165 WeakPolarHBondContact O-CG 3.4Å; Q161-L165 PolarHBondContact O-N 3.2Å; Q162-L165 PolarHBondContact O-N 3.16Å; L165-M167 VanDerWaalsContact C-N 3.25Å; L165-M167 PolarHBondContact O-N 2.96Å |
| 166 | G | 77.7 | Confident | 83.6 | Confident | 44 Ų | 44 | 94 Ų | 94 | 45% | 0.454 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.3 | -19 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M125 Q162 Q163 W164 | M125-G166 WeakPolarHBondContact CE-O 3.42Å; Q162-G166 PolarHBondContact O-N 2.96Å; Q163-G166 PolarHBondContact O-N 2.88Å; W164-G166 VanDerWaalsContact C-N 3.26Å; W164-G166 PolarHBondContact O-N 3.07Å |
| 167 | M | 72.3 | Confident | 83.2 | Confident | 39 Ų | 39 | 91.3 Ų | 91.3 | 19% | 0.192 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12.4 | -176.9 | -68.7 | 167.2 | 68.5 | 0 | 0 | 114 | L121 M125 L145 Q163 W164 L165 | L121-M167 HydrophobicContact CD2-CE 4.06Å; L121-M167 HydrophobicContact CD2-SD 3.89Å; M125-M167 HydrophobicContact SD-CB 4.42Å; M125-M167 HydrophobicContact SD-CG 3.7Å; L145-M167 HydrophobicContact CD1-CE 3.31Å; L145-M167 HydrophobicContact CD2-CE 3.4Å; L145-M167 HydrophobicContact CG-CE 3.99Å; Q163-M167 VanDerWaalsContact O-CG 3.28Å; Q163-M167 WeakPolarHBondContact O-CG 3.48Å; Q163-M167 PolarHBondContact O-N 2.8Å; W164-M167 HydrophobicContact CE3-SD 4.43Å; W164-M167 PolarHBondContact O-N 2.78Å; L165-M167 VanDerWaalsContact C-N 3.25Å; L165-M167 PolarHBondContact O-N 2.96Å |
| 168 | F | 62.8 | Low | 82.6 | Confident | 220 Ų | 220 | 90.9 Ų | 90.9 | 97% | 0.965 | 46% | 0.455 | S | S | * | . | trans | -121.7 | 0 | -179.8 | -65.4 | -72.3 | 0 | 0 | 0 | 110.7 | W164 | W164-F168 AromaticContact CE3-CE2 3.9Å; W164-F168 HydrophobicContact CE3-CE2 3.9Å; W164-F168 HydrophobicContact CZ3-CE2 4.08Å; W164-F168 WeakPolarHBondContact O-CD2 3.43Å |
Retrieved 168 of 168 residues in 400.1 ms
(Link to these results)