| 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 | 34.7 | Very low | 44.6 | Very low | 247 Ų | 247 | 134.1 Ų | 134.1 | 100% | 1.217 | 74% | 0.737 | S | S | * | * | 0 | 106.9 | 0 | -74.5 | 175.7 | -178.7 | 0 | 0 | 108.2 | A3 | M1-A3 PolarHBondContact O-N 3.2Š| |||
| 2 | G | 34.3 | Very low | 47.8 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -77.4 | 105.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K4 | G2-K4 PolarHBondContact O-N 3.12Š| ||
| 3 | A | 39.5 | Very low | 50.7 | Low | 97 Ų | 97 | 123.8 Ų | 123.8 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | -65.4 | 101.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | M1 M5 | M1-A3 PolarHBondContact O-N 3.2Å; A3-M5 PolarHBondContact O-N 3.17Å | ||
| 4 | K | 33.7 | Very low | 53.5 | Low | 203 Ų | 203 | 115.4 Ų | 115.4 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | trans | -52.9 | 109.1 | 168.1 | -72.4 | 178.9 | 177 | 178.2 | 0 | 107 | G2 C6 | G2-K4 PolarHBondContact O-N 3.12Å; K4-C6 VanDerWaalsContact C-N 3.27Å; K4-C6 PolarHBondContact O-N 3.31Å | ||
| 5 | M | 34 | Very low | 55.8 | Low | 184 Ų | 184 | 111.7 Ų | 111.7 | 91% | 0.906 | 63% | 0.628 | S | S | * | * | trans | -57.5 | 100 | 164.7 | -76.1 | -112.7 | -74.3 | 0 | 0 | 106.2 | A3 G7 | A3-M5 PolarHBondContact O-N 3.17Å; M5-G7 PolarHBondContact O-N 3.02Å | ||
| 6 | C | 38.9 | Very low | 57.6 | Low | 120 Ų | 120 | 108 Ų | 108 | 81% | 0.811 | 61% | 0.612 | S | S | * | * | trans | -49.6 | 112.5 | 173.1 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | K4 F8 | K4-C6 VanDerWaalsContact C-N 3.27Å; K4-C6 PolarHBondContact O-N 3.31Å; C6-F8 PolarHBondContact O-N 3.04Å | ||
| 7 | G | 36.9 | Very low | 59.3 | Low | 67 Ų | 67 | 104.4 Ų | 104.4 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | trans | -55.6 | 100.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109 | M5 R9 | M5-G7 PolarHBondContact O-N 3.02Å; G7-R9 VanDerWaalsContact C-N 3.26Å; G7-R9 PolarHBondContact O-N 3.05Å | ||
| 8 | F | 43.8 | Very low | 60.7 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 35% | 0.346 | 57% | 0.574 | S | S | . | * | trans | -69 | 90.9 | 177.2 | -174.9 | -86.7 | 0 | 0 | 0 | 106.4 | C6 R10 N155 R158 | C6-F8 PolarHBondContact O-N 3.04Å; F8-R10 HydrophobicContact CD1-CG 4.48Å; F8-R10 PolarHBondContact O-N 3.5Å; F8-N155 HydrophobicContact CE1-CB 3.55Å; F8-N155 WeakPolarHBondContact CE1-OD1 3.38Å; F8-N155 HydrophobicContact CZ-CB 3.86Å; F8-N155 WeakPolarHBondContact CZ-O 3.43Å; F8-R158 VanDerWaalsContact CE2-NH1 3.26Å; F8-R158 HydrophobicContact CZ-CB 4.28Å | ||
| 9 | R | 53.1 | Low | 62.1 | Low | 219 Ų | 219 | 96 Ų | 96 | 83% | 0.826 | 55% | 0.546 | S | S | * | . | trans | -56.2 | 111.9 | 172.3 | -78.9 | -170.6 | 177.7 | -165.2 | -0.1 | 107.3 | G7 T11 R158 | G7-R9 VanDerWaalsContact C-N 3.26Å; G7-R9 PolarHBondContact O-N 3.05Å; R9-T11 PolarHBondContact O-N 2.97Å; R9-R158 PolarHBondContact O-NH2 2.85Å | ||
| 10 | R | 65.2 | Low | 63.4 | Low | 121 Ų | 121 | 97.4 Ų | 97.4 | 46% | 0.457 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 122.1 | 174.6 | -69.5 | -174.9 | -179.1 | -163.8 | 4.3 | 107.4 | F8 Q69 S73 | F8-R10 HydrophobicContact CD1-CG 4.48Å; F8-R10 PolarHBondContact O-N 3.5Å; R10-Q69 PolarHBondContact NH1-O 3.34Å; R10-Q69 PolarHBondContact NH2-O 3.15Å; R10-S73 PolarHBondContact NH1-OG 2.98Å |
| 11 | T | 77.1 | Confident | 64.5 | Low | 60 Ų | 60 | 99 Ų | 99 | 37% | 0.368 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -93 | 136 | 175 | -52 | 0 | 0 | 0 | 0 | 108.1 | R9 Y13 N155 | R9-T11 PolarHBondContact O-N 2.97Å; T11-Y13 HydrophobicContact CG2-CE1 4Å; T11-Y13 HydrophobicContact CG2-CE2 4.03Å; T11-Y13 WeakPolarHBondContact O-CD2 3.32Å; T11-N155 PolarHBondContact N-OD1 3.27Å; T11-N155 PolarHBondContact O-ND2 2.96Å; T11-N155 VanDerWaalsContact O-ND2 3.08Å |
| 12 | A | 82.2 | Confident | 67 | Low | 79 Ų | 79 | 87.9 Ų | 87.9 | 65% | 0.653 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 122.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 13 | Y | 85.7 | Confident | 69.5 | Low | 55 Ų | 55 | 88.3 Ų | 88.3 | 22% | 0.216 | 48% | 0.475 | C | S | . | . | trans | -106.8 | -29.5 | 175.8 | -62.5 | -79.3 | 0 | 0 | 0 | 111.6 | T11 N151 V154 R171 I175 | T11-Y13 HydrophobicContact CG2-CE1 4Å; T11-Y13 HydrophobicContact CG2-CE2 4.03Å; T11-Y13 WeakPolarHBondContact O-CD2 3.32Å; Y13-N151 PolarHBondContact N-OD1 2.99Å; Y13-V154 HydrophobicContact CD1-CG1 4.29Å; Y13-V154 HydrophobicContact CD2-CB 3.72Å; Y13-V154 HydrophobicContact CD2-CG1 3.51Å; Y13-V154 HydrophobicContact CD2-CG2 4.4Å; Y13-V154 HydrophobicContact CE1-CG1 4.15Å; Y13-V154 HydrophobicContact CE2-CB 3.88Å; Y13-V154 HydrophobicContact CE2-CG1 3.33Å; Y13-V154 HydrophobicContact CG-CB 4.37Å; Y13-V154 HydrophobicContact CG-CG1 3.98Å; Y13-R171 HydrophobicContact CE1-CG 4.23Å; Y13-I175 HydrophobicContact CD1-CD1 3.54Å; Y13-I175 HydrophobicContact CD1-CG1 4.25Å; Y13-I175 HydrophobicContact CE1-CD1 4.09Å; Y13-I175 HydrophobicContact CG-CD1 4.19Å; Y13-I175 HydrophobicContact CG-CG1 4.42Å | ||
| 14 | F | 90.7 | Very high | 71.7 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 3% | 0.026 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -114 | 145.5 | 177.3 | -50.7 | -80.7 | 0 | 0 | 0 | 108.5 | L18 V147 G150 N151 V154 I175 I178 V179 L182 | F14-L18 HydrophobicContact CB-CD1 4.02Å; F14-L18 HydrophobicContact CD1-CD1 3.86Å; F14-L18 HydrophobicContact CG-CD1 4.44Å; F14-V147 HydrophobicContact CB-CG1 3.88Å; F14-V147 WeakPolarHBondContact O-CG1 3.06Å; F14-G150 VanDerWaalsContact CE2-C 3.47Å; F14-N151 WeakPolarHBondContact CD2-OD1 3.4Å; F14-N151 PolarHBondContact N-OD1 3.04Å; F14-N151 PolarHBondContact O-ND2 3.14Å; F14-N151 VanDerWaalsContact O-ND2 3.12Å; F14-V154 HydrophobicContact CE2-CG2 3.79Å; F14-V154 HydrophobicContact CZ-CG2 4.22Å; F14-I175 HydrophobicContact CE1-CG2 4.35Å; F14-I175 HydrophobicContact CZ-CG1 4.44Å; F14-I175 HydrophobicContact CZ-CG2 4.32Å; F14-I178 HydrophobicContact CD1-CG2 4.44Å; F14-I178 HydrophobicContact CD2-CG2 4.34Å; F14-I178 HydrophobicContact CE1-CB 4.15Å; F14-I178 HydrophobicContact CE1-CG2 3.73Å; F14-I178 HydrophobicContact CE2-CB 4.22Å; F14-I178 HydrophobicContact CE2-CD1 4.28Å; F14-I178 HydrophobicContact CE2-CG2 3.63Å; F14-I178 HydrophobicContact CZ-CB 3.56Å; F14-I178 HydrophobicContact CZ-CD1 4.26Å; F14-I178 HydrophobicContact CZ-CG2 3.29Å; F14-V179 HydrophobicContact CD1-CG2 4.43Å; F14-V179 HydrophobicContact CE1-CG2 3.75Å; F14-L182 HydrophobicContact CB-CD1 4.39Å; F14-L182 HydrophobicContact CD1-CD1 3.7Å; F14-L182 HydrophobicContact CE1-CD1 4.17Å; F14-L182 HydrophobicContact CG-CD1 4.01Å |
| 15 | S | 87.2 | Confident | 74.1 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 42% | 0.42 | 43% | 0.425 | S | S | . | . | trans | -136.3 | 163.9 | -178.1 | 67.7 | 0 | 0 | 0 | 0 | 110.8 | S17 L18 | S15-S17 PolarHBondContact O-N 3.12Å; S15-S17 VanDerWaalsContact O-N 3.12Å; S15-S17 PolarHBondContact OG-OG 3.09Å; S15-L18 WeakPolarHBondContact O-CB 3.28Å; S15-L18 PolarHBondContact O-N 2.67Å | ||
| 16 | S | 84.8 | Confident | 76.3 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.3 | 177.2 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | L18 I19 E20 | S16-L18 PolarHBondContact O-N 3.41Å; S16-L18 VanDerWaalsContact O-N 3.09Å; S16-I19 WeakPolarHBondContact O-CA 3.29Å; S16-I19 VanDerWaalsContact O-CB 3.27Å; S16-I19 WeakPolarHBondContact O-CB 3.47Å; S16-I19 PolarHBondContact O-N 3.27Å; S16-E20 PolarHBondContact O-N 3.08Å |
| 17 | S | 85.9 | Confident | 78.2 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -22 | 173.2 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | S15 K21 | S15-S17 PolarHBondContact O-N 3.12Å; S15-S17 VanDerWaalsContact O-N 3.12Å; S15-S17 PolarHBondContact OG-OG 3.09Å; S17-K21 WeakPolarHBondContact O-CB 3.31Å; S17-K21 WeakPolarHBondContact O-CD 3.47Å; S17-K21 WeakPolarHBondContact O-CG 3.16Å; S17-K21 PolarHBondContact O-N 2.86Å |
| 18 | L | 84.9 | Confident | 80.2 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69 | -39.3 | 170.8 | -67.6 | 171.4 | 0 | 0 | 0 | 111.4 | F14 S15 S16 M22 | F14-L18 HydrophobicContact CB-CD1 4.02Å; F14-L18 HydrophobicContact CD1-CD1 3.86Å; F14-L18 HydrophobicContact CG-CD1 4.44Å; S15-L18 WeakPolarHBondContact O-CB 3.28Å; S15-L18 PolarHBondContact O-N 2.67Å; S16-L18 PolarHBondContact O-N 3.41Å; S16-L18 VanDerWaalsContact O-N 3.09Å; L18-M22 WeakPolarHBondContact O-CG 3.39Å; L18-M22 PolarHBondContact O-N 2.9Å; L18-M22 VanDerWaalsContact O-N 3.14Å |
| 19 | I | 88.1 | Confident | 81.2 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -50.2 | 179.1 | -57.9 | 169.5 | 0 | 0 | 0 | 109.2 | S16 K21 M22 E23 P143 E144 V147 M186 F190 | S16-I19 WeakPolarHBondContact O-CA 3.29Å; S16-I19 VanDerWaalsContact O-CB 3.27Å; S16-I19 WeakPolarHBondContact O-CB 3.47Å; S16-I19 PolarHBondContact O-N 3.27Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.5Å; I19-M22 PolarHBondContact O-N 3.34Å; I19-M22 VanDerWaalsContact O-N 3.1Å; I19-E23 WeakPolarHBondContact O-CB 3.46Å; I19-E23 PolarHBondContact O-N 3.32Å; I19-P143 HydrophobicContact CD1-CB 4.01Å; I19-P143 HydrophobicContact CG1-CB 4.16Å; I19-P143 HydrophobicContact CG2-CB 4.04Å; I19-P143 HydrophobicContact CG2-CG 4.42Å; I19-E144 HydrophobicContact CD1-CB 4.32Å; I19-E144 HydrophobicContact CD1-CG 3.74Å; I19-V147 HydrophobicContact CD1-CG2 3.87Å; I19-V147 HydrophobicContact CG1-CG2 4.17Å; I19-M186 HydrophobicContact CG1-CE 3.69Å; I19-M186 HydrophobicContact CG1-SD 4.18Å; I19-F190 HydrophobicContact CG2-CE2 4.3Å; I19-F190 HydrophobicContact CG2-CZ 3.71Å |
| 20 | E | 88.4 | Confident | 81.9 | Confident | 124 Ų | 124 | 65.4 Ų | 65.4 | 58% | 0.579 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.7 | -40.9 | 179.1 | -67.4 | 164.8 | -165.1 | 0 | 0 | 112.1 | S16 A24 | S16-E20 PolarHBondContact O-N 3.08Å; E20-A24 VanDerWaalsContact O-CB 3.29Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 2.87Å |
| 21 | K | 86.3 | Confident | 82 | Confident | 130 Ų | 130 | 65.8 Ų | 65.8 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65 | -45.5 | 176.1 | -75.8 | 173 | -176.4 | -177.2 | 0 | 112.2 | S17 I19 N25 | S17-K21 WeakPolarHBondContact O-CB 3.31Å; S17-K21 WeakPolarHBondContact O-CD 3.47Å; S17-K21 WeakPolarHBondContact O-CG 3.16Å; S17-K21 PolarHBondContact O-N 2.86Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.5Å; K21-N25 WeakPolarHBondContact O-CB 3.37Å; K21-N25 PolarHBondContact O-N 3.02Å; K21-N25 PolarHBondContact O-ND2 3.08Å; K21-N25 PolarHBondContact O-OD1 2.94Å |
| 22 | M | 86.5 | Confident | 81.8 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.069 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | -179.6 | -72.7 | -58.4 | -172.8 | 0 | 0 | 112.2 | L18 I19 S26 F32 D183 M186 F190 | L18-M22 WeakPolarHBondContact O-CG 3.39Å; L18-M22 PolarHBondContact O-N 2.9Å; L18-M22 VanDerWaalsContact O-N 3.14Å; I19-M22 PolarHBondContact O-N 3.34Å; I19-M22 VanDerWaalsContact O-N 3.1Å; M22-S26 WeakPolarHBondContact O-CB 3.33Å; M22-S26 PolarHBondContact O-N 2.98Å; M22-F32 HydrophobicContact CE-CD1 4.41Å; M22-F32 HydrophobicContact CE-CE1 3.45Å; M22-F32 VanDerWaalsContact CE-CE1 3.45Å; M22-F32 HydrophobicContact CE-CZ 3.54Å; M22-F32 HydrophobicContact SD-CD1 4.21Å; M22-F32 HydrophobicContact SD-CE1 3.77Å; M22-F32 HydrophobicContact SD-CE2 4.48Å; M22-F32 HydrophobicContact SD-CZ 3.95Å; M22-D183 HydrophobicContact CE-CB 3.58Å; M22-D183 VanDerWaalsContact CE-CG 3.42Å; M22-D183 WeakPolarHBondContact CE-OD1 3.39Å; M22-M186 HydrophobicContact CB-CB 4.15Å; M22-M186 HydrophobicContact CG-CB 3.96Å; M22-M186 HydrophobicContact CG-SD 4.19Å; M22-F190 HydrophobicContact CB-CD2 3.77Å; M22-F190 HydrophobicContact CB-CE2 3.7Å |
| 23 | E | 87.3 | Confident | 81.7 | Confident | 87 Ų | 87 | 70 Ų | 70 | 41% | 0.407 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 175.8 | -171.6 | 172.6 | -165.9 | 0 | 0 | 111.4 | I19 N25 S26 A27 F190 | I19-E23 WeakPolarHBondContact O-CB 3.46Å; I19-E23 PolarHBondContact O-N 3.32Å; E23-N25 PolarHBondContact O-N 3.4Å; E23-S26 PolarHBondContact O-N 3.03Å; E23-A27 WeakPolarHBondContact O-CB 3.27Å; E23-A27 PolarHBondContact O-N 3.17Å; E23-F190 HydrophobicContact CB-CD1 4.07Å; E23-F190 HydrophobicContact CB-CE1 3.61Å; E23-F190 HydrophobicContact CB-CE2 4.24Å; E23-F190 HydrophobicContact CB-CZ 3.7Å; E23-F190 HydrophobicContact CG-CD1 4.04Å; E23-F190 HydrophobicContact CG-CE1 3.71Å; E23-F190 HydrophobicContact CG-CZ 4.3Å |
| 24 | A | 86.1 | Confident | 81.8 | Confident | 47 Ų | 47 | 68.7 Ų | 68.7 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E20 S26 A27 N28 | E20-A24 VanDerWaalsContact O-CB 3.29Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 2.87Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 3.21Å; A24-A27 PolarHBondContact O-N 2.73Å; A24-N28 VanDerWaalsContact O-CG 3.28Å; A24-N28 PolarHBondContact O-N 2.95Å; A24-N28 PolarHBondContact O-ND2 3.07Å |
| 25 | N | 82.5 | Confident | 81.5 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 24% | 0.235 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.3 | -69.4 | -7.7 | 0 | 0 | 0 | 111.5 | K21 E23 N28 | K21-N25 WeakPolarHBondContact O-CB 3.37Å; K21-N25 PolarHBondContact O-N 3.02Å; K21-N25 PolarHBondContact O-ND2 3.08Å; K21-N25 PolarHBondContact O-OD1 2.94Å; E23-N25 PolarHBondContact O-N 3.4Å; N25-N28 PolarHBondContact O-N 3.39Å |
| 26 | S | 80.7 | Confident | 81.5 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68 | -38.6 | 179.3 | -163.1 | 0 | 0 | 0 | 0 | 112.3 | M22 E23 A24 N28 G29 N194 | M22-S26 WeakPolarHBondContact O-CB 3.33Å; M22-S26 PolarHBondContact O-N 2.98Å; E23-S26 PolarHBondContact O-N 3.03Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 3.21Å; S26-N28 VanDerWaalsContact C-N 3.35Å; S26-N28 PolarHBondContact O-N 3.33Å; S26-G29 PolarHBondContact O-N 2.99Å; S26-N194 WeakPolarHBondContact CB-ND2 3.25Å; S26-N194 PolarHBondContact O-ND2 2.97Å; S26-N194 PolarHBondContact OG-ND2 3.02Å |
| 27 | A | 79.8 | Confident | 81.8 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.9 | -31.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E23 A24 G29 | E23-A27 WeakPolarHBondContact O-CB 3.27Å; E23-A27 PolarHBondContact O-N 3.17Å; A24-A27 PolarHBondContact O-N 2.73Å; A27-G29 PolarHBondContact O-N 3.21Å |
| 28 | N | 77.5 | Confident | 82 | Confident | 115 Ų | 115 | 75.1 Ų | 75.1 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.5 | 179.7 | -68.6 | -20.7 | 0 | 0 | 0 | 113.5 | A24 N25 S26 E30 | A24-N28 VanDerWaalsContact O-CG 3.28Å; A24-N28 PolarHBondContact O-N 2.95Å; A24-N28 PolarHBondContact O-ND2 3.07Å; N25-N28 PolarHBondContact O-N 3.39Å; S26-N28 VanDerWaalsContact C-N 3.35Å; S26-N28 PolarHBondContact O-N 3.33Å; N28-E30 HydrophobicContact CB-CG 4.19Å; N28-E30 PolarHBondContact O-N 3.13Å |
| 29 | G | 66.3 | Low | 82.3 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 66% | 0.66 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 13.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S26 A27 T31 | S26-G29 PolarHBondContact O-N 2.99Å; A27-G29 PolarHBondContact O-N 3.21Å; G29-T31 PolarHBondContact O-N 3.21Å |
| 30 | E | 67.5 | Low | 82.6 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 58% | 0.584 | 43% | 0.428 | S | S | * | . | trans | -67.6 | 128 | 173 | -69.7 | -174 | 173.6 | 0 | 0 | 108.8 | N28 F32 | N28-E30 HydrophobicContact CB-CG 4.19Å; N28-E30 PolarHBondContact O-N 3.13Å; E30-F32 PolarHBondContact O-N 3.04Å | ||
| 31 | T | 66.1 | Low | 82.8 | Confident | 130 Ų | 130 | 75.5 Ų | 75.5 | 80% | 0.798 | 43% | 0.434 | S | S | * | . | trans | -67.7 | 96.4 | 173.1 | 48.5 | 0 | 0 | 0 | 0 | 108.6 | G29 E33 | G29-T31 PolarHBondContact O-N 3.21Å; T31-E33 PolarHBondContact O-N 3.36Å | ||
| 32 | F | 72.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 77 Ų | 77 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | trans | -78.1 | 106.3 | 173.6 | -168.9 | -102.9 | 0 | 0 | 0 | 109.2 | M22 E30 I34 L187 | M22-F32 HydrophobicContact CE-CD1 4.41Å; M22-F32 HydrophobicContact CE-CE1 3.45Å; M22-F32 VanDerWaalsContact CE-CE1 3.45Å; M22-F32 HydrophobicContact CE-CZ 3.54Å; M22-F32 HydrophobicContact SD-CD1 4.21Å; M22-F32 HydrophobicContact SD-CE1 3.77Å; M22-F32 HydrophobicContact SD-CE2 4.48Å; M22-F32 HydrophobicContact SD-CZ 3.95Å; E30-F32 PolarHBondContact O-N 3.04Å; F32-I34 HydrophobicContact CD1-CD1 3.91Å; F32-I34 HydrophobicContact CE1-CD1 3.57Å; F32-L187 HydrophobicContact CB-CD1 3.97Å; F32-L187 HydrophobicContact CD1-CD1 4.13Å; F32-L187 HydrophobicContact CD1-CD2 4.25Å | ||
| 33 | E | 81 | Confident | 83.7 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 74% | 0.738 | 44% | 0.438 | S | S | * | . | trans | -86.9 | 125.1 | 172.8 | -70.4 | -174.6 | 174 | 0 | 0 | 110.2 | T31 V35 | T31-E33 PolarHBondContact O-N 3.36Å; E33-V35 PolarHBondContact O-N 3.07Å | ||
| 34 | I | 87.1 | Confident | 84.1 | Confident | 28 Ų | 28 | 73.8 Ų | 73.8 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | trans | -73 | 112.8 | 171.4 | -59.3 | -67.1 | 0 | 0 | 0 | 108.8 | F32 T123 I127 Y180 D183 L187 | F32-I34 HydrophobicContact CD1-CD1 3.91Å; F32-I34 HydrophobicContact CE1-CD1 3.57Å; I34-T123 HydrophobicContact CB-CG2 3.84Å; I34-T123 HydrophobicContact CG1-CG2 4.35Å; I34-T123 HydrophobicContact CG2-CG2 3.88Å; I34-I127 HydrophobicContact CG1-CD1 4.22Å; I34-Y180 HydrophobicContact CG2-CD2 3.88Å; I34-Y180 HydrophobicContact CG2-CE2 3.56Å; I34-D183 HydrophobicContact CD1-CB 3.77Å; I34-L187 HydrophobicContact CD1-CB 4.31Å; I34-L187 HydrophobicContact CD1-CD2 3.97Å; I34-L187 HydrophobicContact CG1-CD2 3.65Å | ||
| 35 | V | 85.2 | Confident | 84.6 | Confident | 122 Ų | 122 | 74 Ų | 74 | 74% | 0.739 | 43% | 0.427 | S | S | * | . | trans | -84.8 | 114.4 | 169.3 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | E33 P37 | E33-V35 PolarHBondContact O-N 3.07Å; V35-P37 WeakPolarHBondContact O-CD 3.41Å | ||
| 36 | Q | 87.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 15% | 0.145 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 125.4 | 173.3 | -171.7 | -175.8 | -31.1 | 0 | 0 | 110 | L115 Y180 | Q36-L115 VanDerWaalsContact CD-CD2 3.48Å; Q36-L115 HydrophobicContact CG-CD2 3.59Å; Q36-L115 PolarHBondContact NE2-O 3.32Å; Q36-Y180 HydrophobicContact CB-CE2 4.24Å; Q36-Y180 HydrophobicContact CG-CE2 4.16Å |
| 37 | P | 89.4 | Confident | 86.1 | Confident | 26 Ų | 26 | 71.4 Ų | 71.4 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 141.2 | -179 | 28.5 | -35.8 | 0 | 0 | 0 | 112.2 | V35 F39 K176 Y180 | V35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-F39 HydrophobicContact CB-CE2 4.17Å; P37-F39 HydrophobicContact CB-CZ 4.43Å; P37-F39 HydrophobicContact CG-CE2 3.64Å; P37-F39 HydrophobicContact CG-CZ 3.97Å; P37-F39 WeakPolarHBondContact O-CD2 2.98Å; P37-K176 HydrophobicContact CB-CD 4.44Å; P37-K176 HydrophobicContact CB-CG 4.09Å; P37-K176 HydrophobicContact CG-CG 4.49Å; P37-Y180 HydrophobicContact CG-CD2 4.2Å; P37-Y180 HydrophobicContact CG-CG 3.98Å |
| 38 | E | 90.3 | Very high | 86.9 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 121.9 | 176.6 | -53 | -161.3 | 132.4 | 0 | 0 | 111.7 | R118 K176 | E38-R118 VanDerWaalsContact CD-NH2 3.25Å; E38-R118 IonicContact OE1-CZ 2.83Å; E38-R118 VanDerWaalsContact OE1-CZ 3.27Å; E38-R118 IonicContact OE1-NH1 2.74Å; E38-R118 PolarHBondContact OE1-NH1 2.97Å; E38-R118 IonicContact OE1-NH2 3.27Å; E38-R118 PolarHBondContact OE1-NH2 3.35Å; E38-K176 WeakPolarHBondContact O-CE 3.46Å; E38-K176 PolarHBondContact O-NZ 2.99Å |
| 39 | F | 92 | Very high | 87.8 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 10% | 0.101 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 140.2 | 174.2 | -64.6 | -91.5 | 0 | 0 | 0 | 111.6 | P37 E43 F44 L115 T173 K176 L177 | P37-F39 HydrophobicContact CB-CE2 4.17Å; P37-F39 HydrophobicContact CB-CZ 4.43Å; P37-F39 HydrophobicContact CG-CE2 3.64Å; P37-F39 HydrophobicContact CG-CZ 3.97Å; P37-F39 WeakPolarHBondContact O-CD2 2.98Å; F39-E43 WeakPolarHBondContact CA-OE2 3.44Å; F39-E43 HydrophobicContact CB-CB 4.13Å; F39-E43 HydrophobicContact CD1-CB 3.98Å; F39-F44 HydrophobicContact CB-CD1 4.25Å; F39-F44 HydrophobicContact CB-CD2 3.92Å; F39-F44 HydrophobicContact CB-CE1 3.84Å; F39-F44 HydrophobicContact CB-CE2 3.5Å; F39-F44 VanDerWaalsContact CB-CE2 3.5Å; F39-F44 HydrophobicContact CB-CG 4.28Å; F39-F44 HydrophobicContact CB-CZ 3.45Å; F39-F44 VanDerWaalsContact CB-CZ 3.45Å; F39-F44 HydrophobicContact CD2-CE1 4.08Å; F39-F44 AromaticContact CD2-CZ 3.98Å; F39-F44 HydrophobicContact CD2-CZ 3.98Å; F39-F44 HydrophobicContact CG-CE1 4.11Å; F39-F44 HydrophobicContact CG-CZ 4.05Å; F39-L115 HydrophobicContact CE2-CD1 3.88Å; F39-T173 HydrophobicContact CD1-CG2 4.1Å; F39-T173 HydrophobicContact CE1-CG2 4.06Å; F39-K176 HydrophobicContact CD1-CD 4.09Å; F39-K176 HydrophobicContact CE1-CB 4Å; F39-K176 HydrophobicContact CE1-CD 3.62Å; F39-K176 HydrophobicContact CE1-CG 3.69Å; F39-K176 HydrophobicContact CZ-CB 4.3Å; F39-K176 HydrophobicContact CZ-CD 4.06Å; F39-K176 HydrophobicContact CZ-CG 3.74Å; F39-L177 HydrophobicContact CE1-CD2 3.93Å; F39-L177 HydrophobicContact CE1-CG 3.73Å; F39-L177 HydrophobicContact CE2-CD2 3.74Å; F39-L177 HydrophobicContact CE2-CG 4.42Å; F39-L177 HydrophobicContact CZ-CB 4.32Å; F39-L177 HydrophobicContact CZ-CD2 3.34Å; F39-L177 HydrophobicContact CZ-CG 3.54Å |
| 40 | T | 94.1 | Very high | 89.4 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 158.8 | 170.8 | 68 | 0 | 0 | 0 | 0 | 110.9 | K42 E43 F44 | T40-K42 PolarHBondContact O-N 3.24Å; T40-K42 VanDerWaalsContact O-N 3.14Å; T40-E43 PolarHBondContact N-OE2 2.78Å; T40-E43 WeakPolarHBondContact O-CA 3.28Å; T40-E43 WeakPolarHBondContact O-CB 3.05Å; T40-E43 PolarHBondContact O-N 2.95Å; T40-E43 VanDerWaalsContact OG1-CG 3.3Å; T40-E43 WeakPolarHBondContact OG1-CG 3.22Å; T40-E43 PolarHBondContact OG1-N 2.89Å; T40-E43 PolarHBondContact OG1-OE2 3.31Å; T40-F44 PolarHBondContact O-N 3.24Å |
| 41 | A | 93.5 | Very high | 90.8 | Very high | 85 Ų | 85 | 62.3 Ų | 62.3 | 70% | 0.702 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54.4 | -34.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E43 A45 | A41-E43 VanDerWaalsContact C-N 3.34Å; A41-A45 VanDerWaalsContact O-CB 3.31Å; A41-A45 WeakPolarHBondContact O-CB 3.14Å; A41-A45 PolarHBondContact O-N 3.29Å |
| 42 | K | 95.9 | Very high | 92.3 | Very high | 161 Ų | 161 | 58.3 Ų | 58.3 | 70% | 0.7 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.3 | -34.1 | 174.9 | -68.9 | -178.3 | 180 | 175 | 0 | 112.4 | T40 I46 L169 | T40-K42 PolarHBondContact O-N 3.24Å; T40-K42 VanDerWaalsContact O-N 3.14Å; K42-I46 PolarHBondContact O-N 3.17Å; K42-I46 VanDerWaalsContact O-N 3.09Å; K42-L169 HydrophobicContact CB-CD2 4.22Å |
| 43 | E | 95.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.1 | -44.9 | 177 | -72.8 | 174.6 | 145.5 | 0 | 0 | 111 | F39 T40 A41 I46 A47 L169 R172 T173 K176 | F39-E43 WeakPolarHBondContact CA-OE2 3.44Å; F39-E43 HydrophobicContact CB-CB 4.13Å; F39-E43 HydrophobicContact CD1-CB 3.98Å; T40-E43 PolarHBondContact N-OE2 2.78Å; T40-E43 WeakPolarHBondContact O-CA 3.28Å; T40-E43 WeakPolarHBondContact O-CB 3.05Å; T40-E43 PolarHBondContact O-N 2.95Å; T40-E43 VanDerWaalsContact OG1-CG 3.3Å; T40-E43 WeakPolarHBondContact OG1-CG 3.22Å; T40-E43 PolarHBondContact OG1-N 2.89Å; T40-E43 PolarHBondContact OG1-OE2 3.31Å; A41-E43 VanDerWaalsContact C-N 3.34Å; E43-I46 WeakPolarHBondContact O-CG2 3.36Å; E43-I46 PolarHBondContact O-N 3.48Å; E43-A47 PolarHBondContact O-N 3.03Å; E43-L169 HydrophobicContact CG-CD1 3.99Å; E43-R172 IonicContact OE1-CZ 2.66Å; E43-R172 IonicContact OE1-NE 3.44Å; E43-R172 PolarHBondContact OE1-NE 2.94Å; E43-R172 IonicContact OE1-NH2 3.31Å; E43-R172 PolarHBondContact OE1-NH2 3.19Å; E43-T173 HydrophobicContact CB-CG2 3.98Å; E43-T173 WeakPolarHBondContact CG-OG1 3.21Å; E43-T173 WeakPolarHBondContact O-CG2 3.4Å; E43-K176 IonicContact OE2-NZ 3.81Å |
| 44 | F | 95 | Very high | 94.3 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 172.6 | -73.4 | -58.3 | 0 | 0 | 0 | 112.1 | F39 T40 I46 A47 E48 L115 | F39-F44 HydrophobicContact CB-CD1 4.25Å; F39-F44 HydrophobicContact CB-CD2 3.92Å; F39-F44 HydrophobicContact CB-CE1 3.84Å; F39-F44 HydrophobicContact CB-CE2 3.5Å; F39-F44 VanDerWaalsContact CB-CE2 3.5Å; F39-F44 HydrophobicContact CB-CG 4.28Å; F39-F44 HydrophobicContact CB-CZ 3.45Å; F39-F44 VanDerWaalsContact CB-CZ 3.45Å; F39-F44 HydrophobicContact CD2-CE1 4.08Å; F39-F44 AromaticContact CD2-CZ 3.98Å; F39-F44 HydrophobicContact CD2-CZ 3.98Å; F39-F44 HydrophobicContact CG-CE1 4.11Å; F39-F44 HydrophobicContact CG-CZ 4.05Å; T40-F44 PolarHBondContact O-N 3.24Å; F44-I46 PolarHBondContact O-N 3.36Å; F44-A47 WeakPolarHBondContact O-CB 3.27Å; F44-A47 PolarHBondContact O-N 3.37Å; F44-E48 WeakPolarHBondContact O-CG 3.41Å; F44-E48 PolarHBondContact O-N 2.93Å; F44-L115 HydrophobicContact CE1-CB 4.03Å; F44-L115 VanDerWaalsContact CZ-C 3.48Å; F44-L115 HydrophobicContact CZ-CB 4.33Å; F44-L115 WeakPolarHBondContact CZ-O 3.25Å |
| 45 | A | 95.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.6 | -37.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A41 L49 | A41-A45 VanDerWaalsContact O-CB 3.31Å; A41-A45 WeakPolarHBondContact O-CB 3.14Å; A41-A45 PolarHBondContact O-N 3.29Å; A45-L49 WeakPolarHBondContact O-CB 3.38Å; A45-L49 PolarHBondContact O-N 3.49Å |
| 46 | I | 97.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.3 | -35.7 | 175.9 | -160.8 | 65.1 | 0 | 0 | 0 | 112.2 | K42 E43 F44 L49 T50 Q166 L169 A170 T173 | K42-I46 PolarHBondContact O-N 3.17Å; K42-I46 VanDerWaalsContact O-N 3.09Å; E43-I46 WeakPolarHBondContact O-CG2 3.36Å; E43-I46 PolarHBondContact O-N 3.48Å; F44-I46 PolarHBondContact O-N 3.36Å; I46-L49 HydrophobicContact CD1-CD2 4.12Å; I46-T50 HydrophobicContact CD1-CG2 4.23Å; I46-T50 HydrophobicContact CG1-CG2 4.2Å; I46-T50 WeakPolarHBondContact O-CB 3.32Å; I46-T50 VanDerWaalsContact O-CG2 3.31Å; I46-T50 WeakPolarHBondContact O-CG2 3.49Å; I46-T50 PolarHBondContact O-N 3.35Å; I46-T50 PolarHBondContact O-OG1 3.4Å; I46-Q166 HydrophobicContact CD1-CB 3.97Å; I46-Q166 HydrophobicContact CD1-CG 3.95Å; I46-L169 HydrophobicContact CB-CD2 4.1Å; I46-L169 HydrophobicContact CB-CG 4.3Å; I46-L169 HydrophobicContact CG2-CD2 4.07Å; I46-L169 HydrophobicContact CG2-CG 3.82Å; I46-A170 HydrophobicContact CD1-CB 4.49Å; I46-A170 HydrophobicContact CG1-CB 3.7Å; I46-T173 HydrophobicContact CG2-CG2 4.23Å; I46-T173 WeakPolarHBondContact CG2-OG1 3.37Å |
| 47 | A | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -50.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E43 F44 L49 T50 W51 I112 T173 L177 | E43-A47 PolarHBondContact O-N 3.03Å; F44-A47 WeakPolarHBondContact O-CB 3.27Å; F44-A47 PolarHBondContact O-N 3.37Å; A47-L49 PolarHBondContact O-N 3.23Å; A47-T50 PolarHBondContact O-N 3.45Å; A47-T50 PolarHBondContact O-OG1 2.93Å; A47-W51 VanDerWaalsContact O-CB 3.25Å; A47-W51 WeakPolarHBondContact O-CB 3.45Å; A47-W51 PolarHBondContact O-N 3.46Å; A47-I112 HydrophobicContact CB-CG1 4.46Å; A47-I112 HydrophobicContact CB-CG2 4.49Å; A47-T173 HydrophobicContact CB-CG2 4.04Å; A47-L177 HydrophobicContact CB-CD1 4.03Å |
| 48 | E | 96.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -50.2 | 175.2 | -68.1 | 175.5 | 145.2 | 0 | 0 | 111.8 | F44 T50 W51 A52 I112 | F44-E48 WeakPolarHBondContact O-CG 3.41Å; F44-E48 PolarHBondContact O-N 2.93Å; E48-T50 VanDerWaalsContact C-N 3.35Å; E48-T50 PolarHBondContact O-N 2.84Å; E48-W51 PolarHBondContact O-N 3.41Å; E48-A52 VanDerWaalsContact O-CB 3.27Å; E48-A52 WeakPolarHBondContact O-CB 3.27Å; E48-A52 PolarHBondContact O-N 3.46Å; E48-I112 HydrophobicContact CG-CG2 3.58Å |
| 49 | L | 97.4 | Very high | 96.7 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 179.8 | 176.4 | 64.6 | 0 | 0 | 0 | 111.8 | A45 I46 A47 K53 | A45-L49 WeakPolarHBondContact O-CB 3.38Å; A45-L49 PolarHBondContact O-N 3.49Å; I46-L49 HydrophobicContact CD1-CD2 4.12Å; A47-L49 PolarHBondContact O-N 3.23Å; L49-K53 HydrophobicContact CD1-CD 4.47Å; L49-K53 HydrophobicContact CG-CD 4.4Å; L49-K53 WeakPolarHBondContact O-CB 3.38Å; L49-K53 VanDerWaalsContact O-CG 3.31Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.02Å |
| 50 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.6 | -36 | -175.8 | 52 | 0 | 0 | 0 | 0 | 111.9 | I46 A47 E48 K53 L54 L160 L162 A170 W174 | I46-T50 HydrophobicContact CD1-CG2 4.23Å; I46-T50 HydrophobicContact CG1-CG2 4.2Å; I46-T50 WeakPolarHBondContact O-CB 3.32Å; I46-T50 VanDerWaalsContact O-CG2 3.31Å; I46-T50 WeakPolarHBondContact O-CG2 3.49Å; I46-T50 PolarHBondContact O-N 3.35Å; I46-T50 PolarHBondContact O-OG1 3.4Å; A47-T50 PolarHBondContact O-N 3.45Å; A47-T50 PolarHBondContact O-OG1 2.93Å; E48-T50 VanDerWaalsContact C-N 3.35Å; E48-T50 PolarHBondContact O-N 2.84Å; T50-K53 PolarHBondContact O-N 3.23Å; T50-L54 PolarHBondContact O-N 3.41Å; T50-L160 HydrophobicContact CG2-CD1 3.97Å; T50-L160 WeakPolarHBondContact O-CD1 3.4Å; T50-L162 HydrophobicContact CG2-CD1 3.67Å; T50-L162 HydrophobicContact CG2-CD2 4.18Å; T50-A170 HydrophobicContact CG2-CB 3.93Å; T50-W174 PolarHBondContact OG1-NE1 2.97Å |
| 51 | W | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 171.3 | -170.6 | -120.6 | 0 | 0 | 0 | 111.9 | A47 E48 K53 L54 K55 V62 Q105 I108 E109 I112 L153 W174 | A47-W51 VanDerWaalsContact O-CB 3.25Å; A47-W51 WeakPolarHBondContact O-CB 3.45Å; A47-W51 PolarHBondContact O-N 3.46Å; E48-W51 PolarHBondContact O-N 3.41Å; W51-K53 VanDerWaalsContact C-N 3.29Å; W51-K53 PolarHBondContact O-N 3.21Å; W51-L54 HydrophobicContact CE3-CD1 4.04Å; W51-L54 HydrophobicContact CZ3-CD1 4.2Å; W51-L54 WeakPolarHBondContact O-CB 3.47Å; W51-L54 PolarHBondContact O-N 3.14Å; W51-K55 PolarHBondContact O-N 3.14Å; W51-V62 HydrophobicContact CH2-CB 4.03Å; W51-V62 HydrophobicContact CH2-CG1 3.76Å; W51-V62 HydrophobicContact CZ3-CB 4.35Å; W51-V62 HydrophobicContact CZ3-CG1 3.66Å; W51-Q105 HydrophobicContact CH2-CG 4.3Å; W51-Q105 HydrophobicContact CZ2-CG 3.69Å; W51-I108 HydrophobicContact CD2-CG2 4.1Å; W51-I108 HydrophobicContact CE3-CG2 3.92Å; W51-I108 HydrophobicContact CH2-CB 3.77Å; W51-I108 HydrophobicContact CH2-CG1 4.23Å; W51-I108 HydrophobicContact CH2-CG2 3.49Å; W51-I108 VanDerWaalsContact CH2-CG2 3.49Å; W51-I108 HydrophobicContact CZ2-CB 3.82Å; W51-I108 HydrophobicContact CZ2-CG2 3.66Å; W51-I108 HydrophobicContact CZ3-CB 4.39Å; W51-I108 HydrophobicContact CZ3-CG2 3.63Å; W51-E109 HydrophobicContact CZ2-CG 4.29Å; W51-E109 PolarHBondContact NE1-OE1 3.4Å; W51-I112 HydrophobicContact CB-CD1 3.57Å; W51-I112 HydrophobicContact CD2-CD1 4.11Å; W51-I112 HydrophobicContact CG-CD1 3.53Å; W51-L153 HydrophobicContact CZ3-CD1 4.13Å; W51-W174 HydrophobicContact CB-CH2 4.4Å; W51-W174 HydrophobicContact CB-CZ2 4.02Å; W51-W174 HydrophobicContact CD2-CH2 4.15Å; W51-W174 AromaticContact CE3-CH2 3.51Å; W51-W174 HydrophobicContact CE3-CH2 3.51Å; W51-W174 AromaticContact CE3-CZ2 3.96Å; W51-W174 HydrophobicContact CE3-CZ2 3.96Å; W51-W174 HydrophobicContact CZ3-CH2 4.1Å |
| 52 | A | 97.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E48 K55 V56 | E48-A52 VanDerWaalsContact O-CB 3.27Å; E48-A52 WeakPolarHBondContact O-CB 3.27Å; E48-A52 PolarHBondContact O-N 3.46Å; A52-K55 PolarHBondContact O-N 3.29Å; A52-V56 WeakPolarHBondContact O-CG2 3.43Å; A52-V56 PolarHBondContact O-N 2.93Å |
| 53 | K | 98.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.1 | -77.2 | 176.5 | -179.4 | -68.2 | 0 | 112.9 | L49 T50 W51 R57 L160 L162 | L49-K53 HydrophobicContact CD1-CD 4.47Å; L49-K53 HydrophobicContact CG-CD 4.4Å; L49-K53 WeakPolarHBondContact O-CB 3.38Å; L49-K53 VanDerWaalsContact O-CG 3.31Å; L49-K53 WeakPolarHBondContact O-CG 3.47Å; L49-K53 PolarHBondContact O-N 3.02Å; T50-K53 PolarHBondContact O-N 3.23Å; W51-K53 VanDerWaalsContact C-N 3.29Å; W51-K53 PolarHBondContact O-N 3.21Å; K53-R57 VanDerWaalsContact O-CB 3.29Å; K53-R57 WeakPolarHBondContact O-CB 3.39Å; K53-R57 PolarHBondContact O-N 3.38Å; K53-L160 HydrophobicContact CB-CD1 4.11Å; K53-L160 HydrophobicContact CB-CD2 3.91Å; K53-L162 HydrophobicContact CD-CD2 3.99Å |
| 54 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.4 | -70.7 | -178.5 | 0 | 0 | 0 | 111 | T50 W51 V56 R57 F58 V62 L153 L156 I157 L160 | T50-L54 PolarHBondContact O-N 3.41Å; W51-L54 HydrophobicContact CE3-CD1 4.04Å; W51-L54 HydrophobicContact CZ3-CD1 4.2Å; W51-L54 WeakPolarHBondContact O-CB 3.47Å; W51-L54 PolarHBondContact O-N 3.14Å; L54-V56 VanDerWaalsContact C-N 3.34Å; L54-V56 PolarHBondContact O-N 3.29Å; L54-R57 PolarHBondContact O-N 3.24Å; L54-R57 VanDerWaalsContact O-N 3.15Å; L54-F58 HydrophobicContact CB-CD2 4.44Å; L54-F58 HydrophobicContact CD2-CD2 4.36Å; L54-F58 HydrophobicContact CD2-CE2 3.84Å; L54-F58 VanDerWaalsContact O-CD2 3.26Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 PolarHBondContact O-N 3.1Å; L54-V62 HydrophobicContact CB-CG1 4.12Å; L54-V62 HydrophobicContact CB-CG2 3.94Å; L54-V62 HydrophobicContact CD1-CG1 4.14Å; L54-L153 HydrophobicContact CD1-CD1 4.32Å; L54-L156 HydrophobicContact CD1-CB 4.28Å; L54-L156 HydrophobicContact CD2-CB 4.15Å; L54-I157 HydrophobicContact CD1-CD1 3.44Å; L54-I157 VanDerWaalsContact CD1-CD1 3.44Å; L54-I157 HydrophobicContact CD1-CG1 4.26Å; L54-I157 HydrophobicContact CG-CD1 4.1Å; L54-L160 HydrophobicContact CD2-CD1 4.21Å; L54-L160 HydrophobicContact CD2-CD2 3.75Å; L54-L160 HydrophobicContact CD2-CG 4.01Å; L54-L160 HydrophobicContact CG-CD1 4.18Å; L54-L160 HydrophobicContact CG-CD2 4.35Å |
| 55 | K | 97.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 177 | -72.2 | -158.2 | -69.2 | -173.8 | 0 | 112.2 | W51 A52 F58 N59 N60 V62 E109 | W51-K55 PolarHBondContact O-N 3.14Å; A52-K55 PolarHBondContact O-N 3.29Å; K55-F58 CarbonylContact O-C 3.6Å; K55-F58 PolarHBondContact O-N 2.92Å; K55-N59 CarbonylContact O-C 3.54Å; K55-N59 WeakPolarHBondContact O-CA 3.4Å; K55-N59 PolarHBondContact O-N 3.33Å; K55-N60 PolarHBondContact O-N 2.89Å; K55-V62 HydrophobicContact CB-CG2 4.36Å; K55-V62 HydrophobicContact CG-CG2 3.82Å; K55-E109 VanDerWaalsContact CD-OE1 3.29Å; K55-E109 WeakPolarHBondContact CD-OE1 3.11Å; K55-E109 WeakPolarHBondContact CE-OE1 3.39Å; K55-E109 IonicContact NZ-OE1 2.73Å; K55-E109 PolarHBondContact NZ-OE1 3.11Å |
| 56 | V | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 50.2 Ų | 50.2 | 71% | 0.709 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 174.7 | 172 | 0 | 0 | 0 | 0 | 111.4 | A52 L54 F58 N59 | A52-V56 WeakPolarHBondContact O-CG2 3.43Å; A52-V56 PolarHBondContact O-N 2.93Å; L54-V56 VanDerWaalsContact C-N 3.34Å; L54-V56 PolarHBondContact O-N 3.29Å; V56-F58 VanDerWaalsContact C-N 3.26Å; V56-F58 PolarHBondContact O-N 3.33Å; V56-N59 PolarHBondContact O-N 2.97Å |
| 57 | R | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 48% | 0.479 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | -178.5 | 179.4 | 175.3 | -179.7 | 165.3 | 1.1 | 113.2 | K53 L54 S159 | K53-R57 VanDerWaalsContact O-CB 3.29Å; K53-R57 WeakPolarHBondContact O-CB 3.39Å; K53-R57 PolarHBondContact O-N 3.38Å; L54-R57 PolarHBondContact O-N 3.24Å; L54-R57 VanDerWaalsContact O-N 3.15Å; R57-S159 PolarHBondContact NH1-O 2.9Å; R57-S159 VanDerWaalsContact NH1-O 3.08Å; R57-S159 PolarHBondContact NH1-OG 2.88Å; R57-S159 VanDerWaalsContact NH1-OG 3.08Å |
| 58 | F | 97.3 | Very high | 97.5 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 17% | 0.167 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 25 | -175.2 | -59.5 | -67.2 | 0 | 0 | 0 | 112.7 | L54 K55 V56 N60 Q61 V62 E65 L156 | L54-F58 HydrophobicContact CB-CD2 4.44Å; L54-F58 HydrophobicContact CD2-CD2 4.36Å; L54-F58 HydrophobicContact CD2-CE2 3.84Å; L54-F58 VanDerWaalsContact O-CD2 3.26Å; L54-F58 WeakPolarHBondContact O-CD2 3.43Å; L54-F58 PolarHBondContact O-N 3.1Å; K55-F58 CarbonylContact O-C 3.6Å; K55-F58 PolarHBondContact O-N 2.92Å; V56-F58 VanDerWaalsContact C-N 3.26Å; V56-F58 PolarHBondContact O-N 3.33Å; F58-N60 VanDerWaalsContact C-N 3.29Å; F58-N60 PolarHBondContact O-N 2.95Å; F58-Q61 WeakPolarHBondContact O-CA 3.44Å; F58-Q61 WeakPolarHBondContact O-CB 3.2Å; F58-Q61 PolarHBondContact O-N 3.44Å; F58-V62 HydrophobicContact CB-CG2 4.47Å; F58-E65 HydrophobicContact CD1-CB 4Å; F58-E65 HydrophobicContact CD1-CG 3.73Å; F58-E65 HydrophobicContact CD2-CB 4.42Å; F58-E65 HydrophobicContact CD2-CG 4.12Å; F58-E65 HydrophobicContact CE1-CB 4.3Å; F58-E65 HydrophobicContact CE1-CG 3.52Å; F58-E65 HydrophobicContact CE2-CG 3.93Å; F58-E65 HydrophobicContact CG-CB 4.07Å; F58-E65 HydrophobicContact CG-CG 4.03Å; F58-E65 HydrophobicContact CZ-CG 3.62Å; F58-L156 HydrophobicContact CE2-CD2 3.9Å; F58-L156 HydrophobicContact CZ-CD2 3.87Å |
| 59 | N | 97 | Very high | 97.5 | Very high | 131 Ų | 131 | 51.3 Ų | 51.3 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45 | 176.2 | -62.2 | -7.3 | 0 | 0 | 0 | 114.2 | K55 V56 Q61 | K55-N59 CarbonylContact O-C 3.54Å; K55-N59 WeakPolarHBondContact O-CA 3.4Å; K55-N59 PolarHBondContact O-N 3.33Å; V56-N59 PolarHBondContact O-N 2.97Å; N59-Q61 PolarHBondContact O-N 3.04Å |
| 60 | N | 96.6 | Very high | 97.4 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.9 | -175 | -60.4 | -60.8 | 0 | 0 | 0 | 115.5 | K55 F58 Q105 | K55-N60 PolarHBondContact O-N 2.89Å; F58-N60 VanDerWaalsContact C-N 3.29Å; F58-N60 PolarHBondContact O-N 2.95Å; N60-Q105 PolarHBondContact O-NE2 3.39Å; N60-Q105 PolarHBondContact O-OE1 3.45Å; N60-Q105 VanDerWaalsContact O-OE1 3.1Å |
| 61 | Q | 96.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 51% | 0.505 | 24% | 0.238 | S | C | . | . | trans | -111 | 43.4 | 177.2 | -60.5 | -176.5 | -12 | 0 | 0 | 111.8 | F58 N59 G63 M64 E65 | F58-Q61 WeakPolarHBondContact O-CA 3.44Å; F58-Q61 WeakPolarHBondContact O-CB 3.2Å; F58-Q61 PolarHBondContact O-N 3.44Å; N59-Q61 PolarHBondContact O-N 3.04Å; Q61-G63 VanDerWaalsContact C-N 3.29Å; Q61-G63 PolarHBondContact O-N 3.06Å; Q61-M64 HydrophobicContact CB-CB 4.2Å; Q61-M64 HydrophobicContact CB-CG 4.31Å; Q61-M64 HydrophobicContact CB-SD 4Å; Q61-M64 VanDerWaalsContact CD-SD 3.58Å; Q61-M64 HydrophobicContact CG-SD 3.97Å; Q61-M64 PolarHBondContact O-N 2.73Å; Q61-E65 PolarHBondContact O-N 3.32Å; Q61-E65 VanDerWaalsContact O-N 3.09Å | ||
| 62 | V | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | -179.2 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | W51 L54 K55 F58 M64 E65 I66 | W51-V62 HydrophobicContact CH2-CB 4.03Å; W51-V62 HydrophobicContact CH2-CG1 3.76Å; W51-V62 HydrophobicContact CZ3-CB 4.35Å; W51-V62 HydrophobicContact CZ3-CG1 3.66Å; L54-V62 HydrophobicContact CB-CG1 4.12Å; L54-V62 HydrophobicContact CB-CG2 3.94Å; L54-V62 HydrophobicContact CD1-CG1 4.14Å; K55-V62 HydrophobicContact CB-CG2 4.36Å; K55-V62 HydrophobicContact CG-CG2 3.82Å; F58-V62 HydrophobicContact CB-CG2 4.47Å; V62-M64 VanDerWaalsContact C-N 3.35Å; V62-M64 PolarHBondContact O-N 3.41Å; V62-E65 PolarHBondContact O-N 3.09Å; V62-I66 HydrophobicContact CG1-CD1 4.14Å; V62-I66 HydrophobicContact CG1-CG1 4.48Å; V62-I66 VanDerWaalsContact O-CG1 3.31Å; V62-I66 WeakPolarHBondContact O-CG1 3.38Å; V62-I66 PolarHBondContact O-N 3.47Å |
| 63 | G | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q61 E65 I66 F67 | Q61-G63 VanDerWaalsContact C-N 3.29Å; Q61-G63 PolarHBondContact O-N 3.06Å; G63-E65 PolarHBondContact O-N 2.97Å; G63-I66 PolarHBondContact O-N 2.73Å; G63-F67 WeakPolarHBondContact O-CD2 3.12Å; G63-F67 PolarHBondContact O-N 3.36Å; G63-F67 VanDerWaalsContact O-N 3.09Å |
| 64 | M | 97 | Very high | 96.7 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.2 | -65.8 | 178.4 | 67.2 | 0 | 0 | 111.7 | Q61 V62 I66 F67 R68 L92 T101 | Q61-M64 HydrophobicContact CB-CB 4.2Å; Q61-M64 HydrophobicContact CB-CG 4.31Å; Q61-M64 HydrophobicContact CB-SD 4Å; Q61-M64 VanDerWaalsContact CD-SD 3.58Å; Q61-M64 HydrophobicContact CG-SD 3.97Å; Q61-M64 PolarHBondContact O-N 2.73Å; V62-M64 VanDerWaalsContact C-N 3.35Å; V62-M64 PolarHBondContact O-N 3.41Å; M64-I66 PolarHBondContact O-N 3.12Å; M64-F67 PolarHBondContact O-N 2.96Å; M64-R68 WeakPolarHBondContact O-CB 3.47Å; M64-R68 PolarHBondContact O-N 3.15Å; M64-L92 HydrophobicContact CE-CB 4.14Å; M64-T101 HydrophobicContact CG-CG2 4.23Å; M64-T101 WeakPolarHBondContact CG-OG1 3.04Å |
| 65 | E | 97.7 | Very high | 96.6 | Very high | 23 Ų | 23 | 51 Ų | 51 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.6 | 171.1 | 61 | -164.1 | 0 | 0 | 112.4 | F58 Q61 V62 G63 R68 Q69 L156 | F58-E65 HydrophobicContact CD1-CB 4Å; F58-E65 HydrophobicContact CD1-CG 3.73Å; F58-E65 HydrophobicContact CD2-CB 4.42Å; F58-E65 HydrophobicContact CD2-CG 4.12Å; F58-E65 HydrophobicContact CE1-CB 4.3Å; F58-E65 HydrophobicContact CE1-CG 3.52Å; F58-E65 HydrophobicContact CE2-CG 3.93Å; F58-E65 HydrophobicContact CG-CB 4.07Å; F58-E65 HydrophobicContact CG-CG 4.03Å; F58-E65 HydrophobicContact CZ-CG 3.62Å; Q61-E65 PolarHBondContact O-N 3.32Å; Q61-E65 VanDerWaalsContact O-N 3.09Å; V62-E65 PolarHBondContact O-N 3.09Å; G63-E65 PolarHBondContact O-N 2.97Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 3.1Å; E65-R68 IonicContact OE1-CZ 3.48Å; E65-R68 IonicContact OE1-NE 2.76Å; E65-R68 IonicContact OE1-NH2 3.82Å; E65-R68 PolarHBondContact OE1-NH2 3.33Å; E65-R68 IonicContact OE2-CZ 2.78Å; E65-R68 VanDerWaalsContact OE2-CZ 3.31Å; E65-R68 IonicContact OE2-NE 3.62Å; E65-R68 PolarHBondContact OE2-NE 3.02Å; E65-R68 IonicContact OE2-NH2 2.92Å; E65-R68 PolarHBondContact OE2-NH2 2.98Å; E65-Q69 PolarHBondContact O-N 3Å; E65-Q69 VanDerWaalsContact O-N 3.08Å; E65-Q69 PolarHBondContact OE1-NE2 2.97Å; E65-L156 HydrophobicContact CG-CD1 4.31Å; E65-L156 HydrophobicContact CG-CD2 4.02Å |
| 66 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -53.3 | 173.8 | -70.2 | 162.8 | 0 | 0 | 0 | 109.4 | V62 G63 M64 R68 Q69 I70 F104 F149 T152 L153 L156 | V62-I66 HydrophobicContact CG1-CD1 4.14Å; V62-I66 HydrophobicContact CG1-CG1 4.48Å; V62-I66 VanDerWaalsContact O-CG1 3.31Å; V62-I66 WeakPolarHBondContact O-CG1 3.38Å; V62-I66 PolarHBondContact O-N 3.47Å; G63-I66 PolarHBondContact O-N 2.73Å; M64-I66 PolarHBondContact O-N 3.12Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 2.96Å; I66-Q69 PolarHBondContact O-N 3.12Å; I66-Q69 VanDerWaalsContact O-N 3.11Å; I66-I70 HydrophobicContact CG2-CD1 3.83Å; I66-I70 HydrophobicContact CG2-CG1 4.39Å; I66-I70 WeakPolarHBondContact O-CG1 3.47Å; I66-I70 PolarHBondContact O-N 2.93Å; I66-F104 HydrophobicContact CD1-CD1 4.32Å; I66-F104 HydrophobicContact CD1-CE1 4.16Å; I66-F149 HydrophobicContact CD1-CE2 4.33Å; I66-F149 HydrophobicContact CG2-CD2 3.78Å; I66-F149 HydrophobicContact CG2-CE2 4.24Å; I66-T152 HydrophobicContact CG2-CG2 4.36Å; I66-L153 HydrophobicContact CD1-CD1 4.25Å; I66-L156 HydrophobicContact CG1-CD1 3.57Å |
| 67 | F | 97.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | -179.2 | -87.4 | -90.7 | 0 | 0 | 0 | 113.2 | G63 M64 Q69 I70 F71 V77 F81 L92 M97 H100 T101 F104 | G63-F67 WeakPolarHBondContact O-CD2 3.12Å; G63-F67 PolarHBondContact O-N 3.36Å; G63-F67 VanDerWaalsContact O-N 3.09Å; M64-F67 PolarHBondContact O-N 2.96Å; F67-Q69 VanDerWaalsContact C-N 3.29Å; F67-Q69 PolarHBondContact O-N 3.08Å; F67-I70 PolarHBondContact O-N 3.48Å; F67-F71 HydrophobicContact CD1-CE1 4.1Å; F67-F71 HydrophobicContact CD1-CZ 4.34Å; F67-F71 WeakPolarHBondContact O-CB 3.4Å; F67-F71 VanDerWaalsContact O-CG 3.3Å; F67-F71 WeakPolarHBondContact O-CG 3.42Å; F67-F71 PolarHBondContact O-N 3.01Å; F67-V77 HydrophobicContact CE1-CG1 4.35Å; F67-F81 HydrophobicContact CE1-CE2 4.46Å; F67-L92 HydrophobicContact CB-CD2 3.67Å; F67-M97 HydrophobicContact CB-CE 4.3Å; F67-M97 HydrophobicContact CD1-CE 3.33Å; F67-M97 HydrophobicContact CD1-SD 4.26Å; F67-M97 HydrophobicContact CD2-CE 4.01Å; F67-M97 HydrophobicContact CE1-CE 3.49Å; F67-M97 VanDerWaalsContact CE1-CE 3.49Å; F67-M97 HydrophobicContact CE2-CE 4.13Å; F67-M97 HydrophobicContact CG-CE 3.6Å; F67-M97 HydrophobicContact CZ-CE 3.89Å; F67-H100 AromaticContact CE2-CD2 3.9Å; F67-H100 AromaticContact CZ-CD2 3.36Å; F67-H100 WeakPolarHBondContact CZ-CD2 3.29Å; F67-H100 AromaticContact CZ-NE2 3.53Å; F67-T101 HydrophobicContact CB-CG2 4.06Å; F67-T101 HydrophobicContact CD2-CG2 3.68Å; F67-T101 HydrophobicContact CE2-CG2 4.36Å; F67-T101 HydrophobicContact CG-CG2 3.97Å; F67-F104 HydrophobicContact CE2-CB 4.4Å; F67-F104 HydrophobicContact CE2-CD2 4.24Å; F67-F104 HydrophobicContact CE2-CG 4.23Å |
| 68 | R | 97.3 | Very high | 96.1 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 171.5 | -166.3 | -169.1 | 62.5 | 68.7 | 1.3 | 111.6 | M64 E65 I66 G72 L92 | M64-R68 WeakPolarHBondContact O-CB 3.47Å; M64-R68 PolarHBondContact O-N 3.15Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 3.1Å; E65-R68 IonicContact OE1-CZ 3.48Å; E65-R68 IonicContact OE1-NE 2.76Å; E65-R68 IonicContact OE1-NH2 3.82Å; E65-R68 PolarHBondContact OE1-NH2 3.33Å; E65-R68 IonicContact OE2-CZ 2.78Å; E65-R68 VanDerWaalsContact OE2-CZ 3.31Å; E65-R68 IonicContact OE2-NE 3.62Å; E65-R68 PolarHBondContact OE2-NE 3.02Å; E65-R68 IonicContact OE2-NH2 2.92Å; E65-R68 PolarHBondContact OE2-NH2 2.98Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 2.96Å; R68-G72 PolarHBondContact O-N 3.34Å; R68-L92 HydrophobicContact CB-CD1 3.59Å; R68-L92 HydrophobicContact CG-CD1 3.84Å |
| 69 | Q | 96.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.4 | -32.7 | 177.4 | -71 | -165.2 | 38.2 | 0 | 0 | 113.3 | R10 E65 I66 F67 S73 T152 | R10-Q69 PolarHBondContact NH1-O 3.34Å; R10-Q69 PolarHBondContact NH2-O 3.15Å; E65-Q69 PolarHBondContact O-N 3Å; E65-Q69 VanDerWaalsContact O-N 3.08Å; E65-Q69 PolarHBondContact OE1-NE2 2.97Å; I66-Q69 PolarHBondContact O-N 3.12Å; I66-Q69 VanDerWaalsContact O-N 3.11Å; F67-Q69 VanDerWaalsContact C-N 3.29Å; F67-Q69 PolarHBondContact O-N 3.08Å; Q69-S73 PolarHBondContact O-N 3.28Å; Q69-S73 PolarHBondContact O-OG 2.75Å; Q69-T152 HydrophobicContact CB-CG2 3.66Å |
| 70 | I | 96.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -52.3 | 173.4 | -68 | 175.6 | 0 | 0 | 0 | 109.7 | I66 F67 G72 S73 C74 V77 I148 F149 | I66-I70 HydrophobicContact CG2-CD1 3.83Å; I66-I70 HydrophobicContact CG2-CG1 4.39Å; I66-I70 WeakPolarHBondContact O-CG1 3.47Å; I66-I70 PolarHBondContact O-N 2.93Å; F67-I70 PolarHBondContact O-N 3.48Å; I70-G72 PolarHBondContact O-N 2.77Å; I70-S73 CarbonylContact O-C 3.53Å; I70-S73 PolarHBondContact O-N 3.43Å; I70-S73 PolarHBondContact O-OG 2.94Å; I70-C74 PolarHBondContact O-N 3Å; I70-V77 HydrophobicContact CG2-CB 4.09Å; I70-V77 HydrophobicContact CG2-CG1 4.14Å; I70-V77 HydrophobicContact CG2-CG2 3.76Å; I70-I148 HydrophobicContact CG1-CG2 4.28Å; I70-I148 HydrophobicContact CG2-CG2 4.42Å; I70-F149 HydrophobicContact CD1-CB 4.06Å |
| 71 | F | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.5 | -40 | 178.1 | -68.4 | -12.9 | 0 | 0 | 0 | 112.1 | F67 S73 P75 V77 K78 D88 A91 L92 M97 | F67-F71 HydrophobicContact CD1-CE1 4.1Å; F67-F71 HydrophobicContact CD1-CZ 4.34Å; F67-F71 WeakPolarHBondContact O-CB 3.4Å; F67-F71 VanDerWaalsContact O-CG 3.3Å; F67-F71 WeakPolarHBondContact O-CG 3.42Å; F67-F71 PolarHBondContact O-N 3.01Å; F71-S73 VanDerWaalsContact C-N 3.25Å; F71-S73 PolarHBondContact O-N 3.35Å; F71-P75 WeakPolarHBondContact O-CA 3.46Å; F71-P75 WeakPolarHBondContact O-CG 3.42Å; F71-V77 HydrophobicContact CD1-CB 4.34Å; F71-V77 HydrophobicContact CD1-CG1 4.43Å; F71-V77 HydrophobicContact CE1-CB 4.32Å; F71-V77 HydrophobicContact CE1-CG1 4.02Å; F71-K78 HydrophobicContact CD1-CD 4.41Å; F71-K78 HydrophobicContact CD1-CG 3.58Å; F71-K78 HydrophobicContact CD2-CD 4.09Å; F71-K78 HydrophobicContact CD2-CG 4.02Å; F71-K78 HydrophobicContact CE1-CG 3.6Å; F71-K78 HydrophobicContact CE2-CD 4.34Å; F71-K78 HydrophobicContact CE2-CG 4.04Å; F71-K78 HydrophobicContact CG-CD 4.12Å; F71-K78 HydrophobicContact CG-CG 3.8Å; F71-K78 HydrophobicContact CZ-CG 3.83Å; F71-D88 HydrophobicContact CB-CB 4.45Å; F71-D88 HydrophobicContact CD2-CB 4.27Å; F71-A91 HydrophobicContact CD2-CB 4.48Å; F71-A91 HydrophobicContact CE2-CB 3.9Å; F71-L92 HydrophobicContact CD2-CD2 4.29Å; F71-L92 HydrophobicContact CD2-CG 4.27Å; F71-L92 HydrophobicContact CE2-CD2 3.82Å; F71-L92 HydrophobicContact CE2-CG 3.99Å; F71-M97 HydrophobicContact CZ-CG 4.29Å; F71-M97 HydrophobicContact CZ-SD 3.72Å |
| 72 | G | 93.8 | Very high | 95.4 | Very high | 56 Ų | 56 | 33 Ų | 33 | 58% | 0.577 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R68 I70 | R68-G72 PolarHBondContact O-N 3.34Å; I70-G72 PolarHBondContact O-N 2.77Å |
| 73 | S | 93.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -20.3 | 177.9 | 47.1 | 0 | 0 | 0 | 0 | 115.6 | R10 Q69 I70 F71 | R10-S73 PolarHBondContact NH1-OG 2.98Å; Q69-S73 PolarHBondContact O-N 3.28Å; Q69-S73 PolarHBondContact O-OG 2.75Å; I70-S73 CarbonylContact O-C 3.53Å; I70-S73 PolarHBondContact O-N 3.43Å; I70-S73 PolarHBondContact O-OG 2.94Å; F71-S73 VanDerWaalsContact C-N 3.25Å; F71-S73 PolarHBondContact O-N 3.35Å |
| 74 | C | 94.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.054 | 22% | 0.215 | C | C | . | . | trans | -146.6 | 75.6 | -179.8 | -169.4 | 0 | 0 | 0 | 0 | 107.5 | I70 E76 V77 F145 I148 | I70-C74 PolarHBondContact O-N 3Å; C74-E76 VanDerWaalsContact CA-OE2 3.32Å; C74-E76 WeakPolarHBondContact CA-OE2 3.39Å; C74-E76 PolarHBondContact O-N 3.16Å; C74-E76 VanDerWaalsContact O-N 3.17Å; C74-E76 PolarHBondContact SG-OE2 2.9Å; C74-V77 HydrophobicContact CB-CG2 4.18Å; C74-V77 WeakPolarHBondContact O-CG2 3.39Å; C74-V77 PolarHBondContact O-N 3.37Å; C74-F145 VanDerWaalsContact SG-CE1 3.51Å; C74-I148 HydrophobicContact CB-CD1 3.8Å | ||
| 75 | P | 94.7 | Very high | 95.1 | Very high | 65 Ų | 65 | 43 Ų | 43 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -58 | -25.4 | -178.1 | -24 | 34.3 | 0 | 0 | 0 | 113.5 | F71 V77 K78 | F71-P75 WeakPolarHBondContact O-CA 3.46Å; F71-P75 WeakPolarHBondContact O-CG 3.42Å; P75-V77 PolarHBondContact O-N 2.93Å; P75-V77 VanDerWaalsContact O-N 3.13Å; P75-K78 VanDerWaalsContact O-CB 3.27Å; P75-K78 WeakPolarHBondContact O-CB 3.3Å; P75-K78 WeakPolarHBondContact O-CG 3.3Å; P75-K78 PolarHBondContact O-N 2.79Å |
| 76 | E | 94 | Very high | 95 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -60.8 | -21.4 | 179.8 | -52.9 | 90.5 | 158.7 | 0 | 0 | 112.6 | C74 K78 D79 | C74-E76 VanDerWaalsContact CA-OE2 3.32Å; C74-E76 WeakPolarHBondContact CA-OE2 3.39Å; C74-E76 PolarHBondContact O-N 3.16Å; C74-E76 VanDerWaalsContact O-N 3.17Å; C74-E76 PolarHBondContact SG-OE2 2.9Å; E76-K78 PolarHBondContact O-N 3.31Å; E76-D79 VanDerWaalsContact O-CB 3.27Å; E76-D79 WeakPolarHBondContact O-CB 3.4Å; E76-D79 PolarHBondContact O-N 3.24Å |
| 77 | V | 94.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -60.7 | -26.6 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | F67 I70 F71 C74 P75 D79 L80 F81 F145 | F67-V77 HydrophobicContact CE1-CG1 4.35Å; I70-V77 HydrophobicContact CG2-CB 4.09Å; I70-V77 HydrophobicContact CG2-CG1 4.14Å; I70-V77 HydrophobicContact CG2-CG2 3.76Å; F71-V77 HydrophobicContact CD1-CB 4.34Å; F71-V77 HydrophobicContact CD1-CG1 4.43Å; F71-V77 HydrophobicContact CE1-CB 4.32Å; F71-V77 HydrophobicContact CE1-CG1 4.02Å; C74-V77 HydrophobicContact CB-CG2 4.18Å; C74-V77 WeakPolarHBondContact O-CG2 3.39Å; C74-V77 PolarHBondContact O-N 3.37Å; P75-V77 PolarHBondContact O-N 2.93Å; P75-V77 VanDerWaalsContact O-N 3.13Å; V77-D79 PolarHBondContact O-N 3.2Å; V77-L80 HydrophobicContact CG1-CD1 4.24Å; V77-L80 WeakPolarHBondContact O-CB 3.49Å; V77-L80 PolarHBondContact O-N 2.82Å; V77-F81 HydrophobicContact CG1-CE2 4.36Å; V77-F81 WeakPolarHBondContact O-CD2 3.38Å; V77-F145 HydrophobicContact CG2-CD1 3.8Å; V77-F145 HydrophobicContact CG2-CD2 4.27Å; V77-F145 HydrophobicContact CG2-CE1 3.92Å; V77-F145 HydrophobicContact CG2-CE2 4.36Å; V77-F145 HydrophobicContact CG2-CG 3.99Å; V77-F145 HydrophobicContact CG2-CZ 4.19Å |
| 78 | K | 95.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -63.4 | -29.3 | 175.9 | -68.1 | -168.3 | -67.1 | -169.5 | 0 | 112.5 | F71 P75 E76 L80 F81 G82 L83 K86 D88 A91 | F71-K78 HydrophobicContact CD1-CD 4.41Å; F71-K78 HydrophobicContact CD1-CG 3.58Å; F71-K78 HydrophobicContact CD2-CD 4.09Å; F71-K78 HydrophobicContact CD2-CG 4.02Å; F71-K78 HydrophobicContact CE1-CG 3.6Å; F71-K78 HydrophobicContact CE2-CD 4.34Å; F71-K78 HydrophobicContact CE2-CG 4.04Å; F71-K78 HydrophobicContact CG-CD 4.12Å; F71-K78 HydrophobicContact CG-CG 3.8Å; F71-K78 HydrophobicContact CZ-CG 3.83Å; P75-K78 VanDerWaalsContact O-CB 3.27Å; P75-K78 WeakPolarHBondContact O-CB 3.3Å; P75-K78 WeakPolarHBondContact O-CG 3.3Å; P75-K78 PolarHBondContact O-N 2.79Å; E76-K78 PolarHBondContact O-N 3.31Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 2.92Å; K78-F81 PolarHBondContact O-N 3.08Å; K78-F81 VanDerWaalsContact O-N 3.07Å; K78-G82 PolarHBondContact O-N 2.95Å; K78-L83 HydrophobicContact CB-CB 4.21Å; K78-L83 PolarHBondContact O-N 3.39Å; K78-K86 PolarHBondContact NZ-O 2.82Å; K78-D88 IonicContact NZ-OD1 2.89Å; K78-D88 PolarHBondContact NZ-OD1 3.13Å; K78-A91 HydrophobicContact CD-CB 4.21Å |
| 79 | D | 94 | Very high | 94.7 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -65.2 | -34.1 | -176.5 | -56.7 | 10.9 | 0 | 0 | 0 | 110.8 | E76 V77 F81 G82 Q84 | E76-D79 VanDerWaalsContact O-CB 3.27Å; E76-D79 WeakPolarHBondContact O-CB 3.4Å; E76-D79 PolarHBondContact O-N 3.24Å; V77-D79 PolarHBondContact O-N 3.2Å; D79-F81 PolarHBondContact O-N 3.38Å; D79-G82 PolarHBondContact O-N 2.82Å; D79-Q84 WeakPolarHBondContact OD1-CB 3.43Å |
| 80 | L | 92.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -56.7 | -26.1 | 175.3 | -55.6 | 179.2 | 0 | 0 | 0 | 113.1 | V77 K78 R139 F141 F145 | V77-L80 HydrophobicContact CG1-CD1 4.24Å; V77-L80 WeakPolarHBondContact O-CB 3.49Å; V77-L80 PolarHBondContact O-N 2.82Å; K78-L80 VanDerWaalsContact C-N 3.26Å; K78-L80 PolarHBondContact O-N 2.92Å; L80-R139 HydrophobicContact CD2-CB 4.41Å; L80-R139 WeakPolarHBondContact CD2-O 3.44Å; L80-F141 HydrophobicContact CD1-CD2 3.96Å; L80-F141 HydrophobicContact CD2-CB 4.02Å; L80-F141 VanDerWaalsContact CD2-N 3.33Å; L80-F145 HydrophobicContact CD1-CD2 3.94Å; L80-F145 HydrophobicContact CD1-CE2 3.87Å; L80-F145 HydrophobicContact CD2-CE2 4.38Å; L80-F145 HydrophobicContact CG-CE2 4.42Å |
| 81 | F | 92.7 | Very high | 94.7 | Very high | 28 Ų | 28 | 59 Ų | 59 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -107.1 | -2.6 | -178.1 | -58.8 | -87.3 | 0 | 0 | 0 | 112.9 | F67 V77 K78 D79 L83 R96 M97 H100 | F67-F81 HydrophobicContact CE1-CE2 4.46Å; V77-F81 HydrophobicContact CG1-CE2 4.36Å; V77-F81 WeakPolarHBondContact O-CD2 3.38Å; K78-F81 PolarHBondContact O-N 3.08Å; K78-F81 VanDerWaalsContact O-N 3.07Å; D79-F81 PolarHBondContact O-N 3.38Å; F81-L83 HydrophobicContact CB-CD1 3.57Å; F81-L83 HydrophobicContact CB-CG 3.7Å; F81-L83 HydrophobicContact CG-CD1 4.44Å; F81-R96 HydrophobicContact CD1-CG 4.49Å; F81-M97 HydrophobicContact CD1-SD 3.98Å; F81-M97 HydrophobicContact CD2-SD 3.86Å; F81-M97 HydrophobicContact CE1-CE 4.29Å; F81-M97 HydrophobicContact CE1-SD 3.97Å; F81-M97 HydrophobicContact CE2-CE 4.33Å; F81-M97 HydrophobicContact CE2-SD 3.87Å; F81-M97 HydrophobicContact CG-SD 3.93Å; F81-M97 HydrophobicContact CZ-CE 4.02Å; F81-M97 HydrophobicContact CZ-SD 3.92Å; F81-H100 HydrophobicContact CE1-CB 4.1Å; F81-H100 AromaticContact CE1-CG 3.96Å; F81-H100 AromaticContact CZ-CD2 3.69Å; F81-H100 AromaticContact CZ-NE2 4Å |
| 82 | G | 94 | Very high | 94.7 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 32.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K78 D79 | K78-G82 PolarHBondContact O-N 2.95Å; D79-G82 PolarHBondContact O-N 2.82Å |
| 83 | L | 95.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | trans | -115.1 | 14 | -173.8 | -52.6 | 174.8 | 0 | 0 | 0 | 112.9 | K78 F81 N85 K86 A91 D94 M97 | K78-L83 HydrophobicContact CB-CB 4.21Å; K78-L83 PolarHBondContact O-N 3.39Å; F81-L83 HydrophobicContact CB-CD1 3.57Å; F81-L83 HydrophobicContact CB-CG 3.7Å; F81-L83 HydrophobicContact CG-CD1 4.44Å; L83-N85 PolarHBondContact O-N 3.3Å; L83-K86 HydrophobicContact CB-CD 4.43Å; L83-K86 HydrophobicContact CD2-CD 3.65Å; L83-K86 VanDerWaalsContact CD2-NZ 3.27Å; L83-K86 WeakPolarHBondContact O-CB 3.48Å; L83-K86 PolarHBondContact O-N 2.92Å; L83-A91 HydrophobicContact CB-CB 4.03Å; L83-A91 HydrophobicContact CD1-CB 4.07Å; L83-D94 HydrophobicContact CD1-CB 3.93Å; L83-D94 HydrophobicContact CD2-CB 3.93Å; L83-D94 WeakPolarHBondContact CD2-OD2 3.46Å; L83-M97 HydrophobicContact CD1-CB 4.02Å; L83-M97 HydrophobicContact CD1-CG 4.35Å | ||
| 84 | Q | 94.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -36.5 | -173.3 | 68.8 | -79.8 | 11.3 | 0 | 0 | 113.5 | D79 | D79-Q84 WeakPolarHBondContact OD1-CB 3.43Š|
| 85 | N | 95 | Very high | 94.9 | Very high | 151 Ų | 151 | 66.4 Ų | 66.4 | 81% | 0.807 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.8 | -179.5 | -62.8 | -32 | 0 | 0 | 0 | 113.4 | L83 | L83-N85 PolarHBondContact O-N 3.3Š|
| 86 | K | 94.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -92.3 | 140.9 | 178.7 | -61.3 | -171 | -170.2 | 174.7 | 0 | 110.2 | K78 L83 A91 D94 | K78-K86 PolarHBondContact NZ-O 2.82Å; L83-K86 HydrophobicContact CB-CD 4.43Å; L83-K86 HydrophobicContact CD2-CD 3.65Å; L83-K86 VanDerWaalsContact CD2-NZ 3.27Å; L83-K86 WeakPolarHBondContact O-CB 3.48Å; L83-K86 PolarHBondContact O-N 2.92Å; K86-A91 HydrophobicContact CB-CB 4.09Å; K86-D94 IonicContact NZ-OD2 2.74Å; K86-D94 PolarHBondContact NZ-OD2 3.39Å |
| 87 | E | 96.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 63.8 Ų | 63.8 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | trans | -59.7 | 145 | 165.3 | -65.8 | 174.1 | 147.7 | 0 | 0 | 109.9 | Q89 K90 A91 | E87-Q89 VanDerWaalsContact C-N 3.27Å; E87-Q89 PolarHBondContact O-N 3.43Å; E87-Q89 VanDerWaalsContact O-N 3.15Å; E87-K90 CarbonylContact O-C 3.56Å; E87-K90 WeakPolarHBondContact O-CA 3.44Å; E87-K90 PolarHBondContact O-N 3.39Å; E87-K90 WeakPolarHBondContact OE2-CE 3.37Å; E87-K90 IonicContact OE2-NZ 3.06Å; E87-K90 PolarHBondContact OE2-NZ 2.84Å; E87-A91 PolarHBondContact O-N 3.27Å | ||
| 88 | D | 95.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 65.2 Ų | 65.2 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.4 | -41.1 | -170.6 | -64.4 | -4.1 | 0 | 0 | 0 | 112.9 | F71 K78 K90 A91 L92 | F71-D88 HydrophobicContact CB-CB 4.45Å; F71-D88 HydrophobicContact CD2-CB 4.27Å; K78-D88 IonicContact NZ-OD1 2.89Å; K78-D88 PolarHBondContact NZ-OD1 3.13Å; D88-K90 VanDerWaalsContact C-N 3.35Å; D88-K90 PolarHBondContact O-N 3.32Å; D88-A91 PolarHBondContact O-N 2.89Å; D88-L92 WeakPolarHBondContact O-CB 3.42Å; D88-L92 VanDerWaalsContact O-CG 3.25Å; D88-L92 WeakPolarHBondContact O-CG 3.37Å; D88-L92 PolarHBondContact O-N 2.96Å |
| 89 | Q | 94.7 | Very high | 94.9 | Very high | 121 Ų | 121 | 72 Ų | 72 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 177.3 | -173.6 | 60.4 | 37.2 | 0 | 0 | 112.2 | E87 C93 | E87-Q89 VanDerWaalsContact C-N 3.27Å; E87-Q89 PolarHBondContact O-N 3.43Å; E87-Q89 VanDerWaalsContact O-N 3.15Å; Q89-C93 PolarHBondContact O-N 2.93Å; Q89-C93 PolarHBondContact O-SG 3.15Å |
| 90 | K | 96.1 | Very high | 95 | Very high | 129 Ų | 129 | 70.6 Ų | 70.6 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.9 | -35.6 | 177.9 | -68.3 | 175.6 | -178.4 | 145.8 | 0 | 111.4 | E87 D88 C93 D94 | E87-K90 CarbonylContact O-C 3.56Å; E87-K90 WeakPolarHBondContact O-CA 3.44Å; E87-K90 PolarHBondContact O-N 3.39Å; E87-K90 WeakPolarHBondContact OE2-CE 3.37Å; E87-K90 IonicContact OE2-NZ 3.06Å; E87-K90 PolarHBondContact OE2-NZ 2.84Å; D88-K90 VanDerWaalsContact C-N 3.35Å; D88-K90 PolarHBondContact O-N 3.32Å; K90-C93 PolarHBondContact O-N 2.98Å; K90-D94 PolarHBondContact O-N 2.97Å |
| 91 | A | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F71 K78 L83 K86 E87 D88 C93 D94 M97 | F71-A91 HydrophobicContact CD2-CB 4.48Å; F71-A91 HydrophobicContact CE2-CB 3.9Å; K78-A91 HydrophobicContact CD-CB 4.21Å; L83-A91 HydrophobicContact CB-CB 4.03Å; L83-A91 HydrophobicContact CD1-CB 4.07Å; K86-A91 HydrophobicContact CB-CB 4.09Å; E87-A91 PolarHBondContact O-N 3.27Å; D88-A91 PolarHBondContact O-N 2.89Å; A91-C93 VanDerWaalsContact C-N 3.27Å; A91-C93 PolarHBondContact O-N 3.41Å; A91-D94 WeakPolarHBondContact O-CB 3.49Å; A91-D94 PolarHBondContact O-N 3.05Å; A91-D94 VanDerWaalsContact O-N 3.13Å; A91-M97 WeakPolarHBondContact O-CB 3.3Å |
| 92 | L | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68 | -25 | 177.6 | -70.1 | 167 | 0 | 0 | 0 | 113.6 | M64 F67 R68 F71 D88 D94 M97 | M64-L92 HydrophobicContact CE-CB 4.14Å; F67-L92 HydrophobicContact CB-CD2 3.67Å; R68-L92 HydrophobicContact CB-CD1 3.59Å; R68-L92 HydrophobicContact CG-CD1 3.84Å; F71-L92 HydrophobicContact CD2-CD2 4.29Å; F71-L92 HydrophobicContact CD2-CG 4.27Å; F71-L92 HydrophobicContact CE2-CD2 3.82Å; F71-L92 HydrophobicContact CE2-CG 3.99Å; D88-L92 WeakPolarHBondContact O-CB 3.42Å; D88-L92 VanDerWaalsContact O-CG 3.25Å; D88-L92 WeakPolarHBondContact O-CG 3.37Å; D88-L92 PolarHBondContact O-N 2.96Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-M97 HydrophobicContact CD2-CG 4.41Å |
| 93 | C | 94.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 72.3 Ų | 72.3 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.1 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | Q89 K90 A91 Q95 | Q89-C93 PolarHBondContact O-N 2.93Å; Q89-C93 PolarHBondContact O-SG 3.15Å; K90-C93 PolarHBondContact O-N 2.98Å; A91-C93 VanDerWaalsContact C-N 3.27Å; A91-C93 PolarHBondContact O-N 3.41Å; C93-Q95 PolarHBondContact O-N 3.24Å |
| 94 | D | 96.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -61.5 | 134.7 | 174.1 | -173 | -82.4 | 0 | 0 | 0 | 110.5 | L83 K86 K90 A91 L92 R96 M97 A98 | L83-D94 HydrophobicContact CD1-CB 3.93Å; L83-D94 HydrophobicContact CD2-CB 3.93Å; L83-D94 WeakPolarHBondContact CD2-OD2 3.46Å; K86-D94 IonicContact NZ-OD2 2.74Å; K86-D94 PolarHBondContact NZ-OD2 3.39Å; K90-D94 PolarHBondContact O-N 2.97Å; A91-D94 WeakPolarHBondContact O-CB 3.49Å; A91-D94 PolarHBondContact O-N 3.05Å; A91-D94 VanDerWaalsContact O-N 3.13Å; L92-D94 VanDerWaalsContact C-N 3.31Å; D94-R96 VanDerWaalsContact C-N 3.27Å; D94-R96 PolarHBondContact O-N 3.38Å; D94-R96 WeakPolarHBondContact OD1-CB 3.34Å; D94-R96 PolarHBondContact OD1-N 3.08Å; D94-M97 HydrophobicContact CB-CB 3.99Å; D94-M97 PolarHBondContact O-N 3.19Å; D94-M97 VanDerWaalsContact O-N 3.09Å; D94-A98 WeakPolarHBondContact O-CB 3.16Å; D94-A98 PolarHBondContact O-N 3.36Å |
| 95 | Q | 94.2 | Very high | 95.4 | Very high | 149 Ų | 149 | 70.3 Ų | 70.3 | 70% | 0.696 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.5 | -39.5 | -173.6 | -171.9 | -174.3 | 15.1 | 0 | 0 | 112.8 | C93 R99 | C93-Q95 PolarHBondContact O-N 3.24Å; Q95-R99 WeakPolarHBondContact O-CB 3.39Å; Q95-R99 PolarHBondContact O-N 2.86Å; Q95-R99 VanDerWaalsContact O-N 3.09Å |
| 96 | R | 93.2 | Very high | 95.4 | Very high | 103 Ų | 103 | 66.9 Ų | 66.9 | 39% | 0.389 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71 | -40.4 | -180 | -174.7 | 178.3 | 178 | -145.4 | -8.5 | 110.5 | F81 D94 H100 | F81-R96 HydrophobicContact CD1-CG 4.49Å; D94-R96 VanDerWaalsContact C-N 3.27Å; D94-R96 PolarHBondContact O-N 3.38Å; D94-R96 WeakPolarHBondContact OD1-CB 3.34Å; D94-R96 PolarHBondContact OD1-N 3.08Å; R96-H100 WeakPolarHBondContact O-CB 3.49Å; R96-H100 PolarHBondContact O-N 3.44Å |
| 97 | M | 95 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 176.5 | -167.1 | 63.5 | -111.7 | 0 | 0 | 111 | F67 F71 F81 L83 A91 L92 D94 R99 H100 T101 | F67-M97 HydrophobicContact CB-CE 4.3Å; F67-M97 HydrophobicContact CD1-CE 3.33Å; F67-M97 HydrophobicContact CD1-SD 4.26Å; F67-M97 HydrophobicContact CD2-CE 4.01Å; F67-M97 HydrophobicContact CE1-CE 3.49Å; F67-M97 VanDerWaalsContact CE1-CE 3.49Å; F67-M97 HydrophobicContact CE2-CE 4.13Å; F67-M97 HydrophobicContact CG-CE 3.6Å; F67-M97 HydrophobicContact CZ-CE 3.89Å; F71-M97 HydrophobicContact CZ-CG 4.29Å; F71-M97 HydrophobicContact CZ-SD 3.72Å; F81-M97 HydrophobicContact CD1-SD 3.98Å; F81-M97 HydrophobicContact CD2-SD 3.86Å; F81-M97 HydrophobicContact CE1-CE 4.29Å; F81-M97 HydrophobicContact CE1-SD 3.97Å; F81-M97 HydrophobicContact CE2-CE 4.33Å; F81-M97 HydrophobicContact CE2-SD 3.87Å; F81-M97 HydrophobicContact CG-SD 3.93Å; F81-M97 HydrophobicContact CZ-CE 4.02Å; F81-M97 HydrophobicContact CZ-SD 3.92Å; L83-M97 HydrophobicContact CD1-CB 4.02Å; L83-M97 HydrophobicContact CD1-CG 4.35Å; A91-M97 WeakPolarHBondContact O-CB 3.3Å; L92-M97 HydrophobicContact CD2-CG 4.41Å; D94-M97 HydrophobicContact CB-CB 3.99Å; D94-M97 PolarHBondContact O-N 3.19Å; D94-M97 VanDerWaalsContact O-N 3.09Å; M97-R99 VanDerWaalsContact C-N 3.31Å; M97-R99 PolarHBondContact O-N 2.8Å; M97-H100 HydrophobicContact CE-CB 4.11Å; M97-H100 WeakPolarHBondContact O-CA 3.25Å; M97-H100 WeakPolarHBondContact O-CB 3.49Å; M97-H100 PolarHBondContact O-N 3.48Å; M97-T101 HydrophobicContact CE-CG2 3.54Å; M97-T101 WeakPolarHBondContact O-CG2 3.41Å; M97-T101 PolarHBondContact O-N 3.44Å |
| 98 | A | 94.8 | Very high | 95.3 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D94 H100 T101 A102 | D94-A98 WeakPolarHBondContact O-CB 3.16Å; D94-A98 PolarHBondContact O-N 3.36Å; A98-H100 PolarHBondContact O-N 3.41Å; A98-T101 PolarHBondContact O-N 3Å; A98-T101 PolarHBondContact O-OG1 3.43Å; A98-A102 PolarHBondContact O-N 3.39Å |
| 99 | R | 95.8 | Very high | 95.2 | Very high | 161 Ų | 161 | 59 Ų | 59 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 174.3 | -174.6 | -176.5 | -62 | 179.8 | 1 | 112.1 | Q95 M97 T101 A102 I103 | Q95-R99 WeakPolarHBondContact O-CB 3.39Å; Q95-R99 PolarHBondContact O-N 2.86Å; Q95-R99 VanDerWaalsContact O-N 3.09Å; M97-R99 VanDerWaalsContact C-N 3.31Å; M97-R99 PolarHBondContact O-N 2.8Å; R99-T101 VanDerWaalsContact C-N 3.35Å; R99-T101 PolarHBondContact O-N 2.97Å; R99-A102 PolarHBondContact O-N 2.98Å; R99-I103 HydrophobicContact CG-CD1 3.95Å; R99-I103 WeakPolarHBondContact O-CG1 3.27Å; R99-I103 PolarHBondContact O-N 3.26Å |
| 100 | H | 95.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.7 | -171.9 | 78.6 | 0 | 0 | 0 | 111.9 | F67 F81 R96 M97 A98 A102 I103 F104 | F67-H100 AromaticContact CE2-CD2 3.9Å; F67-H100 AromaticContact CZ-CD2 3.36Å; F67-H100 WeakPolarHBondContact CZ-CD2 3.29Å; F67-H100 AromaticContact CZ-NE2 3.53Å; F81-H100 HydrophobicContact CE1-CB 4.1Å; F81-H100 AromaticContact CE1-CG 3.96Å; F81-H100 AromaticContact CZ-CD2 3.69Å; F81-H100 AromaticContact CZ-NE2 4Å; R96-H100 WeakPolarHBondContact O-CB 3.49Å; R96-H100 PolarHBondContact O-N 3.44Å; M97-H100 HydrophobicContact CE-CB 4.11Å; M97-H100 WeakPolarHBondContact O-CA 3.25Å; M97-H100 WeakPolarHBondContact O-CB 3.49Å; M97-H100 PolarHBondContact O-N 3.48Å; A98-H100 PolarHBondContact O-N 3.41Å; H100-A102 VanDerWaalsContact C-N 3.31Å; H100-A102 PolarHBondContact O-N 3.4Å; H100-I103 PolarHBondContact O-N 3.32Å; H100-F104 VanDerWaalsContact O-CB 3.32Å; H100-F104 WeakPolarHBondContact O-CB 3.41Å; H100-F104 PolarHBondContact O-N 2.88Å |
| 101 | T | 96.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -34 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | M64 F67 M97 A98 R99 F104 Q105 | M64-T101 HydrophobicContact CG-CG2 4.23Å; M64-T101 WeakPolarHBondContact CG-OG1 3.04Å; F67-T101 HydrophobicContact CB-CG2 4.06Å; F67-T101 HydrophobicContact CD2-CG2 3.68Å; F67-T101 HydrophobicContact CE2-CG2 4.36Å; F67-T101 HydrophobicContact CG-CG2 3.97Å; M97-T101 HydrophobicContact CE-CG2 3.54Å; M97-T101 WeakPolarHBondContact O-CG2 3.41Å; M97-T101 PolarHBondContact O-N 3.44Å; A98-T101 PolarHBondContact O-N 3Å; A98-T101 PolarHBondContact O-OG1 3.43Å; R99-T101 VanDerWaalsContact C-N 3.35Å; R99-T101 PolarHBondContact O-N 2.97Å; T101-F104 WeakPolarHBondContact O-CB 3.48Å; T101-Q105 PolarHBondContact O-N 3.12Å; T101-Q105 VanDerWaalsContact O-N 3.1Å |
| 102 | A | 96.3 | Very high | 94.6 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -50.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A98 R99 H100 F104 Q105 D106 | A98-A102 PolarHBondContact O-N 3.39Å; R99-A102 PolarHBondContact O-N 2.98Å; H100-A102 VanDerWaalsContact C-N 3.31Å; H100-A102 PolarHBondContact O-N 3.4Å; A102-F104 PolarHBondContact O-N 3.3Å; A102-Q105 WeakPolarHBondContact O-CA 3.47Å; A102-Q105 WeakPolarHBondContact O-CB 3.31Å; A102-Q105 PolarHBondContact O-N 3.1Å; A102-D106 VanDerWaalsContact O-CG 3.3Å; A102-D106 PolarHBondContact O-N 2.97Å |
| 103 | I | 95.2 | Very high | 94.2 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 42% | 0.415 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.6 | -41.7 | 174.6 | -67.7 | 166.7 | 0 | 0 | 0 | 110.5 | R99 H100 Q105 D106 I107 | R99-I103 HydrophobicContact CG-CD1 3.95Å; R99-I103 WeakPolarHBondContact O-CG1 3.27Å; R99-I103 PolarHBondContact O-N 3.26Å; H100-I103 PolarHBondContact O-N 3.32Å; I103-Q105 VanDerWaalsContact C-N 3.35Å; I103-Q105 PolarHBondContact O-N 2.98Å; I103-D106 PolarHBondContact O-N 3.03Å; I103-I107 HydrophobicContact CG2-CD1 3.95Å; I103-I107 WeakPolarHBondContact O-CG1 3.18Å; I103-I107 PolarHBondContact O-N 2.91Å |
| 104 | F | 94.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 176.6 | -164.9 | -81.1 | 0 | 0 | 0 | 112.1 | I66 F67 H100 T101 A102 D106 I107 I108 F149 | I66-F104 HydrophobicContact CD1-CD1 4.32Å; I66-F104 HydrophobicContact CD1-CE1 4.16Å; F67-F104 HydrophobicContact CE2-CB 4.4Å; F67-F104 HydrophobicContact CE2-CD2 4.24Å; F67-F104 HydrophobicContact CE2-CG 4.23Å; H100-F104 VanDerWaalsContact O-CB 3.32Å; H100-F104 WeakPolarHBondContact O-CB 3.41Å; H100-F104 PolarHBondContact O-N 2.88Å; T101-F104 WeakPolarHBondContact O-CB 3.48Å; A102-F104 PolarHBondContact O-N 3.3Å; F104-D106 VanDerWaalsContact C-N 3.32Å; F104-D106 PolarHBondContact O-N 2.79Å; F104-I107 PolarHBondContact O-N 3.15Å; F104-I108 HydrophobicContact CD1-CG1 4.21Å; F104-I108 HydrophobicContact CE1-CD1 4Å; F104-I108 HydrophobicContact CE1-CG1 3.78Å; F104-I108 HydrophobicContact CZ-CD1 4.39Å; F104-I108 WeakPolarHBondContact O-CG1 3.4Å; F104-I108 PolarHBondContact O-N 2.82Å; F104-F149 HydrophobicContact CD1-CE2 4.46Å; F104-F149 AromaticContact CE1-CD2 3.72Å; F104-F149 HydrophobicContact CE1-CD2 3.72Å; F104-F149 HydrophobicContact CE1-CE1 4.43Å; F104-F149 AromaticContact CE1-CE2 3.16Å; F104-F149 HydrophobicContact CE1-CE2 3.16Å; F104-F149 AromaticContact CE1-CZ 3.6Å; F104-F149 HydrophobicContact CE1-CZ 3.6Å; F104-F149 HydrophobicContact CE2-CD2 4.18Å; F104-F149 HydrophobicContact CE2-CE2 4.26Å; F104-F149 HydrophobicContact CE2-CG 4.33Å; F104-F149 HydrophobicContact CE2-CZ 4.46Å; F104-F149 AromaticContact CZ-CD1 3.89Å; F104-F149 HydrophobicContact CZ-CD1 3.89Å; F104-F149 AromaticContact CZ-CD2 3.31Å; F104-F149 HydrophobicContact CZ-CD2 3.31Å; F104-F149 AromaticContact CZ-CE1 3.65Å; F104-F149 HydrophobicContact CZ-CE1 3.65Å; F104-F149 AromaticContact CZ-CE2 3.06Å; F104-F149 HydrophobicContact CZ-CE2 3.06Å; F104-F149 AromaticContact CZ-CG 3.75Å; F104-F149 HydrophobicContact CZ-CG 3.75Å; F104-F149 AromaticContact CZ-CZ 3.24Å; F104-F149 HydrophobicContact CZ-CZ 3.24Å |
| 105 | Q | 96.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 177 | -169.6 | 171.3 | -83.5 | 0 | 0 | 111.4 | W51 N60 T101 A102 I103 I107 I108 E109 | W51-Q105 HydrophobicContact CH2-CG 4.3Å; W51-Q105 HydrophobicContact CZ2-CG 3.69Å; N60-Q105 PolarHBondContact O-NE2 3.39Å; N60-Q105 PolarHBondContact O-OE1 3.45Å; N60-Q105 VanDerWaalsContact O-OE1 3.1Å; T101-Q105 PolarHBondContact O-N 3.12Å; T101-Q105 VanDerWaalsContact O-N 3.1Å; A102-Q105 WeakPolarHBondContact O-CA 3.47Å; A102-Q105 WeakPolarHBondContact O-CB 3.31Å; A102-Q105 PolarHBondContact O-N 3.1Å; I103-Q105 VanDerWaalsContact C-N 3.35Å; I103-Q105 PolarHBondContact O-N 2.98Å; Q105-I107 VanDerWaalsContact C-N 3.34Å; Q105-I107 PolarHBondContact O-N 2.91Å; Q105-I108 PolarHBondContact O-N 3.45Å; Q105-E109 PolarHBondContact O-N 3.03Å |
| 106 | D | 94.8 | Very high | 91.7 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 179.4 | -61.4 | -20.1 | 0 | 0 | 0 | 111.6 | A102 I103 F104 I108 E109 L110 | A102-D106 VanDerWaalsContact O-CG 3.3Å; A102-D106 PolarHBondContact O-N 2.97Å; I103-D106 PolarHBondContact O-N 3.03Å; F104-D106 VanDerWaalsContact C-N 3.32Å; F104-D106 PolarHBondContact O-N 2.79Å; D106-I108 VanDerWaalsContact C-N 3.33Å; D106-I108 PolarHBondContact O-N 3.25Å; D106-E109 WeakPolarHBondContact O-CB 3.37Å; D106-E109 PolarHBondContact O-N 3.29Å; D106-L110 WeakPolarHBondContact O-CG 3.17Å; D106-L110 PolarHBondContact O-N 3.29Å |
| 107 | I | 94 | Very high | 90.9 | Very high | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.8 | -69.8 | 162.7 | 0 | 0 | 0 | 111.2 | I103 F104 Q105 E109 L110 L111 L126 L129 | I103-I107 HydrophobicContact CG2-CD1 3.95Å; I103-I107 WeakPolarHBondContact O-CG1 3.18Å; I103-I107 PolarHBondContact O-N 2.91Å; F104-I107 PolarHBondContact O-N 3.15Å; Q105-I107 VanDerWaalsContact C-N 3.34Å; Q105-I107 PolarHBondContact O-N 2.91Å; I107-E109 VanDerWaalsContact C-N 3.32Å; I107-E109 PolarHBondContact O-N 3.28Å; I107-L110 PolarHBondContact O-N 3.1Å; I107-L111 HydrophobicContact CG2-CD1 4.37Å; I107-L111 WeakPolarHBondContact O-CG 3.45Å; I107-L111 PolarHBondContact O-N 3.02Å; I107-L126 HydrophobicContact CG2-CD2 3.97Å; I107-L129 HydrophobicContact CD1-CD2 3.69Å |
| 108 | I | 95.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 177.2 | -59.1 | -63.4 | 0 | 0 | 0 | 111.1 | W51 F104 Q105 D106 L111 I112 F149 L153 W174 L181 | W51-I108 HydrophobicContact CD2-CG2 4.1Å; W51-I108 HydrophobicContact CE3-CG2 3.92Å; W51-I108 HydrophobicContact CH2-CB 3.77Å; W51-I108 HydrophobicContact CH2-CG1 4.23Å; W51-I108 HydrophobicContact CH2-CG2 3.49Å; W51-I108 VanDerWaalsContact CH2-CG2 3.49Å; W51-I108 HydrophobicContact CZ2-CB 3.82Å; W51-I108 HydrophobicContact CZ2-CG2 3.66Å; W51-I108 HydrophobicContact CZ3-CB 4.39Å; W51-I108 HydrophobicContact CZ3-CG2 3.63Å; F104-I108 HydrophobicContact CD1-CG1 4.21Å; F104-I108 HydrophobicContact CE1-CD1 4Å; F104-I108 HydrophobicContact CE1-CG1 3.78Å; F104-I108 HydrophobicContact CZ-CD1 4.39Å; F104-I108 WeakPolarHBondContact O-CG1 3.4Å; F104-I108 PolarHBondContact O-N 2.82Å; Q105-I108 PolarHBondContact O-N 3.45Å; D106-I108 VanDerWaalsContact C-N 3.33Å; D106-I108 PolarHBondContact O-N 3.25Å; I108-L111 HydrophobicContact CD1-CD1 4.12Å; I108-L111 PolarHBondContact O-N 2.77Å; I108-I112 HydrophobicContact CG2-CD1 4.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 2.82Å; I108-I112 VanDerWaalsContact O-N 3.16Å; I108-F149 HydrophobicContact CD1-CZ 3.99Å; I108-L153 HydrophobicContact CD1-CD2 4.03Å; I108-W174 HydrophobicContact CG2-CH2 3.71Å; I108-W174 HydrophobicContact CG2-CZ3 3.8Å; I108-L181 HydrophobicContact CD1-CD2 4.19Å |
| 109 | E | 93.6 | Very high | 88.9 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174 | -72 | -170 | 172.2 | 0 | 0 | 112.1 | W51 K55 Q105 D106 I107 L111 I112 V113 | W51-E109 HydrophobicContact CZ2-CG 4.29Å; W51-E109 PolarHBondContact NE1-OE1 3.4Å; K55-E109 VanDerWaalsContact CD-OE1 3.29Å; K55-E109 WeakPolarHBondContact CD-OE1 3.11Å; K55-E109 WeakPolarHBondContact CE-OE1 3.39Å; K55-E109 IonicContact NZ-OE1 2.73Å; K55-E109 PolarHBondContact NZ-OE1 3.11Å; Q105-E109 PolarHBondContact O-N 3.03Å; D106-E109 WeakPolarHBondContact O-CB 3.37Å; D106-E109 PolarHBondContact O-N 3.29Å; I107-E109 VanDerWaalsContact C-N 3.32Å; I107-E109 PolarHBondContact O-N 3.28Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 2.66Å; E109-I112 PolarHBondContact O-N 3.32Å; E109-I112 VanDerWaalsContact O-N 3.14Å; E109-V113 WeakPolarHBondContact O-CG2 3.4Å; E109-V113 PolarHBondContact O-N 3.5Å |
| 110 | L | 91.6 | Very high | 88.1 | Confident | 97 Ų | 97 | 54 Ų | 54 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.8 | -71.6 | 172.7 | 0 | 0 | 0 | 111.4 | D106 I107 I112 V113 D114 | D106-L110 WeakPolarHBondContact O-CG 3.17Å; D106-L110 PolarHBondContact O-N 3.29Å; I107-L110 PolarHBondContact O-N 3.1Å; L110-I112 VanDerWaalsContact C-N 3.28Å; L110-I112 PolarHBondContact O-N 3.09Å; L110-V113 PolarHBondContact O-N 3.34Å; L110-D114 WeakPolarHBondContact O-CB 3.33Å; L110-D114 PolarHBondContact O-N 2.92Å |
| 111 | L | 91.7 | Very high | 87.7 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 174.5 | -78.4 | 170.4 | 0 | 0 | 0 | 112.1 | I107 I108 E109 L115 L122 L126 Y180 L181 | I107-L111 HydrophobicContact CG2-CD1 4.37Å; I107-L111 WeakPolarHBondContact O-CG 3.45Å; I107-L111 PolarHBondContact O-N 3.02Å; I108-L111 HydrophobicContact CD1-CD1 4.12Å; I108-L111 PolarHBondContact O-N 2.77Å; E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 2.66Å; L111-L115 HydrophobicContact CB-CD1 4.43Å; L111-L115 HydrophobicContact CD2-CD1 4.04Å; L111-L115 HydrophobicContact CD2-CG 4.49Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.41Å; L111-L122 HydrophobicContact CD2-CD1 4.48Å; L111-L122 HydrophobicContact CD2-CD2 3.99Å; L111-L126 HydrophobicContact CD2-CD1 3.8Å; L111-Y180 HydrophobicContact CD2-CD1 4.01Å; L111-Y180 HydrophobicContact CD2-CE1 3.82Å; L111-L181 HydrophobicContact CD1-CB 4.01Å; L111-L181 HydrophobicContact CD1-CD1 4.18Å; L111-L181 HydrophobicContact CD1-CD2 3.85Å; L111-L181 HydrophobicContact CD1-CG 4.22Å |
| 112 | I | 91.5 | Very high | 87.4 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70 | -42.4 | -179.6 | -65.5 | 165.9 | 0 | 0 | 0 | 111.1 | A47 E48 W51 I108 E109 L110 W174 | A47-I112 HydrophobicContact CB-CG1 4.46Å; A47-I112 HydrophobicContact CB-CG2 4.49Å; E48-I112 HydrophobicContact CG-CG2 3.58Å; W51-I112 HydrophobicContact CB-CD1 3.57Å; W51-I112 HydrophobicContact CD2-CD1 4.11Å; W51-I112 HydrophobicContact CG-CD1 3.53Å; I108-I112 HydrophobicContact CG2-CD1 4.32Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 2.82Å; I108-I112 VanDerWaalsContact O-N 3.16Å; E109-I112 PolarHBondContact O-N 3.32Å; E109-I112 VanDerWaalsContact O-N 3.14Å; L110-I112 VanDerWaalsContact C-N 3.28Å; L110-I112 PolarHBondContact O-N 3.09Å; I112-W174 HydrophobicContact CD1-CH2 3.89Å; I112-W174 HydrophobicContact CD1-CZ2 4.21Å |
| 113 | V | 87.2 | Confident | 87.2 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 47% | 0.473 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -78.1 | -51.3 | -175.4 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | E109 L110 S116 | E109-V113 WeakPolarHBondContact O-CG2 3.4Å; E109-V113 PolarHBondContact O-N 3.5Å; L110-V113 PolarHBondContact O-N 3.34Å; V113-S116 VanDerWaalsContact O-CB 3.32Å; V113-S116 WeakPolarHBondContact O-CB 3.44Å; V113-S116 PolarHBondContact O-N 3.21Å; V113-S116 PolarHBondContact O-OG 3.02Å |
| 114 | D | 80.3 | Confident | 87.1 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.5 | -26.2 | -167.2 | -174.3 | 76 | 0 | 0 | 0 | 112.6 | L110 S116 Q117 R118 S119 L122 | L110-D114 WeakPolarHBondContact O-CB 3.33Å; L110-D114 PolarHBondContact O-N 2.92Å; D114-S116 PolarHBondContact O-N 2.79Å; D114-S116 VanDerWaalsContact O-N 3.16Å; D114-Q117 CarbonylContact O-C 3.6Å; D114-Q117 WeakPolarHBondContact O-CA 3.44Å; D114-Q117 WeakPolarHBondContact O-CB 3.07Å; D114-Q117 PolarHBondContact O-N 3.49Å; D114-R118 PolarHBondContact O-N 3.06Å; D114-R118 VanDerWaalsContact O-N 3.11Å; D114-S119 WeakPolarHBondContact OD1-CB 3.44Å; D114-S119 VanDerWaalsContact OD2-CB 3.22Å; D114-S119 WeakPolarHBondContact OD2-CB 3.41Å; D114-L122 HydrophobicContact CB-CD2 4.07Å; D114-L122 WeakPolarHBondContact OD2-CB 3.21Å; D114-L122 WeakPolarHBondContact OD2-CD2 3.44Å |
| 115 | L | 76.5 | Confident | 87 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.1 | 169.3 | -70.2 | 176 | 0 | 0 | 0 | 112.6 | Q36 F39 F44 L111 Q117 L122 L177 Y180 | Q36-L115 VanDerWaalsContact CD-CD2 3.48Å; Q36-L115 HydrophobicContact CG-CD2 3.59Å; Q36-L115 PolarHBondContact NE2-O 3.32Å; F39-L115 HydrophobicContact CE2-CD1 3.88Å; F44-L115 HydrophobicContact CE1-CB 4.03Å; F44-L115 VanDerWaalsContact CZ-C 3.48Å; F44-L115 HydrophobicContact CZ-CB 4.33Å; F44-L115 WeakPolarHBondContact CZ-O 3.25Å; L111-L115 HydrophobicContact CB-CD1 4.43Å; L111-L115 HydrophobicContact CD2-CD1 4.04Å; L111-L115 HydrophobicContact CD2-CG 4.49Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.41Å; L115-Q117 PolarHBondContact O-N 3.09Å; L115-L122 HydrophobicContact CD2-CD2 4.02Å; L115-L122 HydrophobicContact CG-CD2 4.02Å; L115-L177 HydrophobicContact CD1-CD2 3.27Å; L115-Y180 HydrophobicContact CD1-CD1 4.05Å; L115-Y180 HydrophobicContact CD1-CE1 4.19Å; L115-Y180 HydrophobicContact CD2-CD1 4.13Å; L115-Y180 HydrophobicContact CD2-CE1 3.61Å; L115-Y180 HydrophobicContact CG-CE1 4.38Å |
| 116 | S | 76.3 | Confident | 87 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -22 | 170.4 | 81 | 0 | 0 | 0 | 0 | 113 | V113 D114 | V113-S116 VanDerWaalsContact O-CB 3.32Å; V113-S116 WeakPolarHBondContact O-CB 3.44Å; V113-S116 PolarHBondContact O-N 3.21Å; V113-S116 PolarHBondContact O-OG 3.02Å; D114-S116 PolarHBondContact O-N 2.79Å; D114-S116 VanDerWaalsContact O-N 3.16Å |
| 117 | Q | 76.4 | Confident | 87 | Confident | 136 Ų | 136 | 53.4 Ų | 53.4 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -13 | -176.5 | -57 | -175.7 | 11.1 | 0 | 0 | 113.5 | D114 L115 | D114-Q117 CarbonylContact O-C 3.6Å; D114-Q117 WeakPolarHBondContact O-CA 3.44Å; D114-Q117 WeakPolarHBondContact O-CB 3.07Å; D114-Q117 PolarHBondContact O-N 3.49Å; L115-Q117 PolarHBondContact O-N 3.09Å |
| 118 | R | 72 | Confident | 87 | Confident | 141 Ų | 141 | 55.2 Ų | 55.2 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 50.8 | -177.2 | -57.1 | -172.3 | -176.5 | -141.9 | 5 | 113.5 | E38 D114 | E38-R118 VanDerWaalsContact CD-NH2 3.25Å; E38-R118 IonicContact OE1-CZ 2.83Å; E38-R118 VanDerWaalsContact OE1-CZ 3.27Å; E38-R118 IonicContact OE1-NH1 2.74Å; E38-R118 PolarHBondContact OE1-NH1 2.97Å; E38-R118 IonicContact OE1-NH2 3.27Å; E38-R118 PolarHBondContact OE1-NH2 3.35Å; D114-R118 PolarHBondContact O-N 3.06Å; D114-R118 VanDerWaalsContact O-N 3.11Å |
| 119 | S | 75.4 | Confident | 87 | Confident | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | trans | -82.3 | 121.4 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | D114 S121 L122 | D114-S119 WeakPolarHBondContact OD1-CB 3.44Å; D114-S119 VanDerWaalsContact OD2-CB 3.22Å; D114-S119 WeakPolarHBondContact OD2-CB 3.41Å; S119-S121 PolarHBondContact O-N 3.28Å; S119-S121 WeakPolarHBondContact OG-CB 3.36Å; S119-S121 PolarHBondContact OG-N 3.22Å; S119-S121 PolarHBondContact OG-OG 3.5Å; S119-L122 PolarHBondContact O-N 2.74Å | ||
| 120 | D | 80.2 | Confident | 87.1 | Confident | 127 Ų | 127 | 54.3 Ų | 54.3 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.2 | -22.9 | 169.9 | -67 | -29.3 | 0 | 0 | 0 | 112.3 | L122 T123 Q124 | D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 3.29Å; D120-T123 PolarHBondContact O-N 3.32Å; D120-Q124 PolarHBondContact O-N 3.14Å |
| 121 | S | 87.2 | Confident | 87.3 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | -179.8 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | S119 S125 | S119-S121 PolarHBondContact O-N 3.28Å; S119-S121 WeakPolarHBondContact OG-CB 3.36Å; S119-S121 PolarHBondContact OG-N 3.22Å; S119-S121 PolarHBondContact OG-OG 3.5Å; S121-S125 WeakPolarHBondContact O-CB 3.44Å; S121-S125 PolarHBondContact O-N 3.44Å; S121-S125 PolarHBondContact O-OG 3.03Å |
| 122 | L | 90.1 | Very high | 87.4 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 177.3 | 171.5 | 66 | 0 | 0 | 0 | 110.9 | L111 D114 L115 S119 D120 Q124 S125 L126 | L111-L122 HydrophobicContact CD2-CD1 4.48Å; L111-L122 HydrophobicContact CD2-CD2 3.99Å; D114-L122 HydrophobicContact CB-CD2 4.07Å; D114-L122 WeakPolarHBondContact OD2-CB 3.21Å; D114-L122 WeakPolarHBondContact OD2-CD2 3.44Å; L115-L122 HydrophobicContact CD2-CD2 4.02Å; L115-L122 HydrophobicContact CG-CD2 4.02Å; S119-L122 PolarHBondContact O-N 2.74Å; D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 3.29Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 2.82Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 3.4Å; L122-S125 VanDerWaalsContact O-N 3.17Å; L122-L126 HydrophobicContact CD1-CD1 4.14Å; L122-L126 HydrophobicContact CD1-CD2 4.48Å; L122-L126 HydrophobicContact CD1-CG 4.06Å; L122-L126 HydrophobicContact CG-CD1 4.19Å; L122-L126 HydrophobicContact CG-CG 4.46Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.43Å |
| 123 | T | 91.7 | Very high | 87.5 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.2 | -52.4 | 176.4 | -51.3 | 0 | 0 | 0 | 0 | 110.6 | I34 D120 S125 L126 I127 Y180 | I34-T123 HydrophobicContact CB-CG2 3.84Å; I34-T123 HydrophobicContact CG1-CG2 4.35Å; I34-T123 HydrophobicContact CG2-CG2 3.88Å; D120-T123 PolarHBondContact O-N 3.32Å; T123-S125 VanDerWaalsContact C-N 3.33Å; T123-S125 PolarHBondContact O-N 3.26Å; T123-L126 PolarHBondContact O-N 3.44Å; T123-I127 HydrophobicContact CG2-CD1 4.03Å; T123-I127 WeakPolarHBondContact O-CG1 3.4Å; T123-I127 PolarHBondContact O-N 3.39Å; T123-Y180 PolarHBondContact OG1-OH 3.2Å |
| 124 | Q | 92.5 | Very high | 87.8 | Confident | 115 Ų | 115 | 53.1 Ų | 53.1 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 179.9 | -65 | -55.9 | -37.3 | 0 | 0 | 112.8 | D120 L122 L126 I127 T128 | D120-Q124 PolarHBondContact O-N 3.14Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 2.82Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; Q124-L126 PolarHBondContact O-N 3.06Å; Q124-I127 PolarHBondContact O-N 3.07Å; Q124-T128 WeakPolarHBondContact O-CB 3.46Å; Q124-T128 PolarHBondContact O-N 2.98Å; Q124-T128 PolarHBondContact O-OG1 3.31Å |
| 125 | S | 93.2 | Very high | 88.3 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.9 | -60 | 0 | 0 | 0 | 0 | 111.9 | S121 L122 T123 T128 L129 | S121-S125 WeakPolarHBondContact O-CB 3.44Å; S121-S125 PolarHBondContact O-N 3.44Å; S121-S125 PolarHBondContact O-OG 3.03Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 3.4Å; L122-S125 VanDerWaalsContact O-N 3.17Å; T123-S125 VanDerWaalsContact C-N 3.33Å; T123-S125 PolarHBondContact O-N 3.26Å; S125-T128 PolarHBondContact O-N 3.43Å; S125-L129 WeakPolarHBondContact O-CB 3.5Å; S125-L129 PolarHBondContact O-N 2.92Å |
| 126 | L | 95 | Very high | 89 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.6 | -38.5 | 177.5 | -67.5 | 177.8 | 0 | 0 | 0 | 112.3 | I107 L111 L122 T123 Q124 L129 G130 Y180 L181 C184 | I107-L126 HydrophobicContact CG2-CD2 3.97Å; L111-L126 HydrophobicContact CD2-CD1 3.8Å; L122-L126 HydrophobicContact CD1-CD1 4.14Å; L122-L126 HydrophobicContact CD1-CD2 4.48Å; L122-L126 HydrophobicContact CD1-CG 4.06Å; L122-L126 HydrophobicContact CG-CD1 4.19Å; L122-L126 HydrophobicContact CG-CG 4.46Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.43Å; T123-L126 PolarHBondContact O-N 3.44Å; Q124-L126 VanDerWaalsContact C-N 3.35Å; Q124-L126 PolarHBondContact O-N 3.06Å; L126-L129 HydrophobicContact CD2-CD2 4.48Å; L126-L129 WeakPolarHBondContact O-CB 3.36Å; L126-L129 PolarHBondContact O-N 3.25Å; L126-G130 PolarHBondContact O-N 2.83Å; L126-Y180 HydrophobicContact CD1-CE1 3.9Å; L126-L181 HydrophobicContact CD1-CD1 4.02Å; L126-L181 HydrophobicContact CD2-CD1 3.59Å; L126-L181 HydrophobicContact CG-CD1 4.35Å; L126-C184 HydrophobicContact CB-CB 3.45Å; L126-C184 VanDerWaalsContact CB-CB 3.45Å; L126-C184 HydrophobicContact CD1-CB 4.12Å; L126-C184 HydrophobicContact CG-CB 4.45Å |
| 127 | I | 94.6 | Very high | 89.7 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 172.8 | -68.3 | 167.4 | 0 | 0 | 0 | 109.7 | I34 T123 Q124 L129 G130 A131 C184 L187 G188 | I34-I127 HydrophobicContact CG1-CD1 4.22Å; T123-I127 HydrophobicContact CG2-CD1 4.03Å; T123-I127 WeakPolarHBondContact O-CG1 3.4Å; T123-I127 PolarHBondContact O-N 3.39Å; Q124-I127 PolarHBondContact O-N 3.07Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.31Å; I127-G130 WeakPolarHBondContact O-CA 3.4Å; I127-G130 PolarHBondContact O-N 3.47Å; I127-A131 PolarHBondContact O-N 3.2Å; I127-C184 WeakPolarHBondContact CA-O 3.11Å; I127-C184 HydrophobicContact CG1-CB 4.27Å; I127-L187 HydrophobicContact CD1-CD2 3.93Å; I127-L187 HydrophobicContact CG1-CD2 4.28Å; I127-G188 WeakPolarHBondContact O-CA 3.42Å |
| 128 | T | 95.1 | Very high | 90.2 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | Q124 S125 G130 A131 Q132 | Q124-T128 WeakPolarHBondContact O-CB 3.46Å; Q124-T128 PolarHBondContact O-N 2.98Å; Q124-T128 PolarHBondContact O-OG1 3.31Å; S125-T128 PolarHBondContact O-N 3.43Å; T128-G130 VanDerWaalsContact C-N 3.3Å; T128-G130 PolarHBondContact O-N 2.91Å; T128-A131 PolarHBondContact O-N 3.06Å; T128-Q132 WeakPolarHBondContact O-CG 3.36Å; T128-Q132 PolarHBondContact O-N 3.48Å |
| 129 | L | 95.6 | Very high | 91 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.8 | -177.5 | 68.6 | 0 | 0 | 0 | 111.7 | I107 S125 L126 I127 Q132 H133 V185 | I107-L129 HydrophobicContact CD1-CD2 3.69Å; S125-L129 WeakPolarHBondContact O-CB 3.5Å; S125-L129 PolarHBondContact O-N 2.92Å; L126-L129 HydrophobicContact CD2-CD2 4.48Å; L126-L129 WeakPolarHBondContact O-CB 3.36Å; L126-L129 PolarHBondContact O-N 3.25Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.31Å; L129-Q132 PolarHBondContact O-N 3.2Å; L129-H133 PolarHBondContact O-N 3.49Å; L129-H133 VanDerWaalsContact O-N 3.15Å; L129-H133 PolarHBondContact O-ND1 2.82Å; L129-V185 HydrophobicContact CD2-CG1 4.39Å |
| 130 | G | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -50.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L126 I127 T128 Q132 H133 W134 V185 | L126-G130 PolarHBondContact O-N 2.83Å; I127-G130 WeakPolarHBondContact O-CA 3.4Å; I127-G130 PolarHBondContact O-N 3.47Å; T128-G130 VanDerWaalsContact C-N 3.3Å; T128-G130 PolarHBondContact O-N 2.91Å; G130-Q132 VanDerWaalsContact C-N 3.31Å; G130-Q132 PolarHBondContact O-N 3.05Å; G130-H133 WeakPolarHBondContact O-CB 3.46Å; G130-H133 PolarHBondContact O-N 3.39Å; G130-W134 PolarHBondContact O-N 3.26Å; G130-V185 WeakPolarHBondContact CA-O 3.34Å |
| 131 | A | 94.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I127 T128 H133 W134 G188 Q192 | I127-A131 PolarHBondContact O-N 3.2Å; T128-A131 PolarHBondContact O-N 3.06Å; A131-H133 PolarHBondContact O-N 2.99Å; A131-W134 VanDerWaalsContact O-CB 3.3Å; A131-W134 WeakPolarHBondContact O-CB 3.34Å; A131-W134 PolarHBondContact O-N 3.46Å; A131-W134 VanDerWaalsContact O-N 3.1Å; A131-G188 VanDerWaalsContact CA-O 3.31Å; A131-G188 WeakPolarHBondContact CA-O 3.18Å; A131-G188 WeakPolarHBondContact CB-O 3.13Å; A131-Q192 HydrophobicContact CB-CB 3.91Å; A131-Q192 HydrophobicContact CB-CG 4.39Å |
| 132 | Q | 93.8 | Very high | 92.8 | Very high | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -33.4 | 175.7 | -72 | 174.1 | 0.3 | 0 | 0 | 112.9 | T128 L129 G130 W134 F135 | T128-Q132 WeakPolarHBondContact O-CG 3.36Å; T128-Q132 PolarHBondContact O-N 3.48Å; L129-Q132 PolarHBondContact O-N 3.2Å; G130-Q132 VanDerWaalsContact C-N 3.31Å; G130-Q132 PolarHBondContact O-N 3.05Å; Q132-W134 VanDerWaalsContact C-N 3.29Å; Q132-W134 PolarHBondContact O-N 3.43Å; Q132-F135 PolarHBondContact O-N 3.37Å |
| 133 | H | 94.1 | Very high | 93 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.7 | -23.9 | 178.2 | -80.3 | 73.9 | 0 | 0 | 0 | 113.4 | L129 G130 A131 F135 F136 F141 W146 | L129-H133 PolarHBondContact O-N 3.49Å; L129-H133 VanDerWaalsContact O-N 3.15Å; L129-H133 PolarHBondContact O-ND1 2.82Å; G130-H133 WeakPolarHBondContact O-CB 3.46Å; G130-H133 PolarHBondContact O-N 3.39Å; A131-H133 PolarHBondContact O-N 2.99Å; H133-F135 PolarHBondContact O-N 3.48Å; H133-F136 WeakPolarHBondContact O-CB 3.47Å; H133-F136 PolarHBondContact O-N 3.44Å; H133-F141 HydrophobicContact CB-CD1 4.29Å; H133-F141 HydrophobicContact CB-CE1 3.88Å; H133-F141 HydrophobicContact CB-CZ 4.1Å; H133-F141 AromaticContact CD2-CE2 3.66Å; H133-F141 AromaticContact CD2-CZ 3.76Å; H133-W146 HydrophobicContact CB-CH2 3.94Å; H133-W146 HydrophobicContact CB-CZ2 3.54Å; H133-W146 AromaticContact CD2-CZ2 3.99Å; H133-W146 AromaticContact CG-CZ2 3.63Å |
| 134 | W | 93.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -37.3 | 173.9 | -179.9 | 84.4 | 0 | 0 | 0 | 112 | G130 A131 Q132 F136 T137 Y189 Q192 M193 V196 L203 | G130-W134 PolarHBondContact O-N 3.26Å; A131-W134 VanDerWaalsContact O-CB 3.3Å; A131-W134 WeakPolarHBondContact O-CB 3.34Å; A131-W134 PolarHBondContact O-N 3.46Å; A131-W134 VanDerWaalsContact O-N 3.1Å; Q132-W134 VanDerWaalsContact C-N 3.29Å; Q132-W134 PolarHBondContact O-N 3.43Å; W134-F136 PolarHBondContact O-N 2.95Å; W134-F136 VanDerWaalsContact O-N 3.09Å; W134-T137 VanDerWaalsContact O-CB 3.28Å; W134-T137 WeakPolarHBondContact O-CB 3.47Å; W134-T137 WeakPolarHBondContact O-CG2 3.21Å; W134-T137 PolarHBondContact O-N 3.25Å; W134-T137 PolarHBondContact O-OG1 3.22Å; W134-Y189 HydrophobicContact CB-CD2 3.81Å; W134-Y189 HydrophobicContact CB-CE2 4.01Å; W134-Y189 HydrophobicContact CB-CG 4.39Å; W134-Y189 AromaticContact CD1-CZ 3.9Å; W134-Y189 HydrophobicContact CG-CE2 4.4Å; W134-Q192 HydrophobicContact CB-CB 4.02Å; W134-Q192 HydrophobicContact CB-CG 3.96Å; W134-Q192 HydrophobicContact CD2-CG 3.93Å; W134-Q192 HydrophobicContact CE3-CG 3.64Å; W134-Q192 HydrophobicContact CG-CB 4.22Å; W134-Q192 HydrophobicContact CG-CG 4.07Å; W134-Q192 HydrophobicContact CZ3-CG 4.5Å; W134-M193 HydrophobicContact CG-CB 4.46Å; W134-M193 VanDerWaalsContact NE1-CA 3.34Å; W134-V196 HydrophobicContact CE3-CG2 4.19Å; W134-V196 HydrophobicContact CH2-CB 3.49Å; W134-V196 VanDerWaalsContact CH2-CB 3.49Å; W134-V196 HydrophobicContact CH2-CG1 3.52Å; W134-V196 HydrophobicContact CH2-CG2 3.34Å; W134-V196 HydrophobicContact CZ2-CB 3.81Å; W134-V196 HydrophobicContact CZ2-CG1 4.06Å; W134-V196 HydrophobicContact CZ2-CG2 4Å; W134-V196 HydrophobicContact CZ3-CB 4.13Å; W134-V196 HydrophobicContact CZ3-CG1 4.37Å; W134-V196 HydrophobicContact CZ3-CG2 3.43Å; W134-V196 VanDerWaalsContact CZ3-CG2 3.43Å; W134-L203 HydrophobicContact CH2-CD2 3.88Å |
| 135 | F | 89.9 | Confident | 93.3 | Very high | 73 Ų | 73 | 48 Ų | 48 | 32% | 0.32 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -63.3 | -19.1 | 176.3 | -62.2 | -63.8 | 0 | 0 | 0 | 114 | Q132 H133 T137 Q192 P204 | Q132-F135 PolarHBondContact O-N 3.37Å; H133-F135 PolarHBondContact O-N 3.48Å; F135-T137 VanDerWaalsContact C-N 3.3Å; F135-Q192 HydrophobicContact CE2-CG 4.46Å; F135-Q192 HydrophobicContact CZ-CG 4.24Å; F135-P204 HydrophobicContact CD1-CB 4.17Å; F135-P204 HydrophobicContact CD1-CG 3.63Å; F135-P204 HydrophobicContact CE1-CG 4.31Å |
| 136 | F | 91 | Very high | 93.4 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -83.2 | -2.4 | 175.2 | -59.6 | -55.1 | 0 | 0 | 0 | 113.5 | H133 W134 Q138 R139 G140 F141 | H133-F136 WeakPolarHBondContact O-CB 3.47Å; H133-F136 PolarHBondContact O-N 3.44Å; W134-F136 PolarHBondContact O-N 2.95Å; W134-F136 VanDerWaalsContact O-N 3.09Å; F136-Q138 PolarHBondContact O-N 3.38Å; F136-R139 CarbonylContact O-C 3.15Å; F136-R139 WeakPolarHBondContact O-CA 3.4Å; F136-R139 WeakPolarHBondContact O-CB 3.4Å; F136-R139 PolarHBondContact O-N 2.99Å; F136-G140 PolarHBondContact O-N 2.92Å; F136-F141 VanDerWaalsContact C-CB 3.41Å; F136-F141 HydrophobicContact CB-CB 3.6Å; F136-F141 HydrophobicContact CB-CG 4.2Å; F136-F141 WeakPolarHBondContact O-CB 3.41Å; F136-F141 PolarHBondContact O-N 2.97Å |
| 137 | T | 91.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -58.8 | -36 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | W134 F135 R139 G140 Y189 | W134-T137 VanDerWaalsContact O-CB 3.28Å; W134-T137 WeakPolarHBondContact O-CB 3.47Å; W134-T137 WeakPolarHBondContact O-CG2 3.21Å; W134-T137 PolarHBondContact O-N 3.25Å; W134-T137 PolarHBondContact O-OG1 3.22Å; F135-T137 VanDerWaalsContact C-N 3.3Å; T137-R139 PolarHBondContact O-N 3.1Å; T137-R139 VanDerWaalsContact O-N 3.08Å; T137-G140 PolarHBondContact O-N 3.13Å; T137-Y189 HydrophobicContact CG2-CE2 3.82Å; T137-Y189 WeakPolarHBondContact CG2-OH 3.31Å |
| 138 | Q | 87.2 | Confident | 93.3 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -60.4 | -18.9 | 173.1 | -64.5 | -173.6 | 0.3 | 0 | 0 | 113.2 | F136 | F136-Q138 PolarHBondContact O-N 3.38Š|
| 139 | R | 88.9 | Confident | 93.3 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -102 | 7.1 | 175.3 | -60.7 | -177.1 | 175 | -159.9 | -9.2 | 112.8 | L80 F136 T137 | L80-R139 HydrophobicContact CD2-CB 4.41Å; L80-R139 WeakPolarHBondContact CD2-O 3.44Å; F136-R139 CarbonylContact O-C 3.15Å; F136-R139 WeakPolarHBondContact O-CA 3.4Å; F136-R139 WeakPolarHBondContact O-CB 3.4Å; F136-R139 PolarHBondContact O-N 2.99Å; T137-R139 PolarHBondContact O-N 3.1Å; T137-R139 VanDerWaalsContact O-N 3.08Å |
| 140 | G | 92.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 14 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F136 T137 R142 F145 | F136-G140 PolarHBondContact O-N 2.92Å; T137-G140 PolarHBondContact O-N 3.13Å; G140-R142 PolarHBondContact O-N 2.94Å; G140-F145 WeakPolarHBondContact O-CE2 3.42Å |
| 141 | F | 94.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | trans | -65.2 | 135.5 | 173 | -177.7 | -92.1 | 0 | 0 | 0 | 110.6 | L80 H133 F136 F145 W146 Y189 | L80-F141 HydrophobicContact CD1-CD2 3.96Å; L80-F141 HydrophobicContact CD2-CB 4.02Å; L80-F141 VanDerWaalsContact CD2-N 3.33Å; H133-F141 HydrophobicContact CB-CD1 4.29Å; H133-F141 HydrophobicContact CB-CE1 3.88Å; H133-F141 HydrophobicContact CB-CZ 4.1Å; H133-F141 AromaticContact CD2-CE2 3.66Å; H133-F141 AromaticContact CD2-CZ 3.76Å; F136-F141 VanDerWaalsContact C-CB 3.41Å; F136-F141 HydrophobicContact CB-CB 3.6Å; F136-F141 HydrophobicContact CB-CG 4.2Å; F136-F141 WeakPolarHBondContact O-CB 3.41Å; F136-F141 PolarHBondContact O-N 2.97Å; F141-F145 AromaticContact CD2-CD2 3.95Å; F141-F145 HydrophobicContact CD2-CD2 3.95Å; F141-F145 HydrophobicContact CE2-CB 4.35Å; F141-F145 HydrophobicContact CE2-CD2 4.19Å; F141-W146 HydrophobicContact CE1-CH2 4.08Å; F141-W146 AromaticContact CE1-CZ2 4Å; F141-W146 HydrophobicContact CE1-CZ2 4Å; F141-W146 HydrophobicContact CE1-CZ3 4.38Å; F141-W146 AromaticContact CZ-CD2 3.91Å; F141-W146 HydrophobicContact CZ-CD2 3.91Å; F141-W146 AromaticContact CZ-CE2 3.5Å; F141-W146 HydrophobicContact CZ-CE3 4.4Å; F141-W146 HydrophobicContact CZ-CG 4.42Å; F141-W146 HydrophobicContact CZ-CH2 4.19Å; F141-W146 AromaticContact CZ-CZ2 3.68Å; F141-W146 HydrophobicContact CZ-CZ2 3.68Å; F141-W146 AromaticContact CZ-NE1 3.73Å; F141-Y189 AromaticContact CD1-CE2 3.87Å; F141-Y189 HydrophobicContact CD1-CE2 3.87Å; F141-Y189 HydrophobicContact CE1-CD2 4.17Å; F141-Y189 AromaticContact CE1-CE2 3.9Å; F141-Y189 HydrophobicContact CE1-CE2 3.9Å | ||
| 142 | R | 93.7 | Very high | 93.4 | Very high | 119 Ų | 119 | 42.7 Ų | 42.7 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | trans | -137 | 144.8 | 175.7 | -49.9 | 175 | -74.6 | -174.8 | -3.9 | 110.8 | G140 E144 F145 | G140-R142 PolarHBondContact O-N 2.94Å; R142-E144 WeakPolarHBondContact CB-OE2 3.46Å; R142-E144 PolarHBondContact O-N 3.21Å; R142-E144 VanDerWaalsContact O-N 3.08Å; R142-F145 WeakPolarHBondContact O-CB 3.33Å; R142-F145 WeakPolarHBondContact O-CD2 3.36Å; R142-F145 WeakPolarHBondContact O-CG 3.18Å; R142-F145 PolarHBondContact O-N 3Å | ||
| 143 | P | 94.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.4 | -179.2 | -26.6 | 36.2 | 0 | 0 | 0 | 114.9 | I19 F145 W146 Y189 F190 | I19-P143 HydrophobicContact CD1-CB 4.01Å; I19-P143 HydrophobicContact CG1-CB 4.16Å; I19-P143 HydrophobicContact CG2-CB 4.04Å; I19-P143 HydrophobicContact CG2-CG 4.42Å; P143-F145 PolarHBondContact O-N 3.42Å; P143-F145 VanDerWaalsContact O-N 3.15Å; P143-W146 HydrophobicContact CB-CE3 4.09Å; P143-W146 HydrophobicContact CB-CZ3 4.36Å; P143-W146 WeakPolarHBondContact O-CB 3.29Å; P143-W146 PolarHBondContact O-N 3.04Å; P143-Y189 HydrophobicContact CG-CD1 3.92Å; P143-Y189 HydrophobicContact CG-CE1 3.51Å; P143-Y189 HydrophobicContact CG-CE2 4.24Å; P143-Y189 HydrophobicContact CG-CG 4.46Å; P143-F190 HydrophobicContact CG-CZ 4.35Å |
| 144 | E | 94.4 | Very high | 93.7 | Very high | 71 Ų | 71 | 36.9 Ų | 36.9 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.8 | -27.3 | 174.6 | -65.8 | 81.1 | 174.7 | 0 | 0 | 112.5 | I19 R142 W146 V147 I148 | I19-E144 HydrophobicContact CD1-CB 4.32Å; I19-E144 HydrophobicContact CD1-CG 3.74Å; R142-E144 WeakPolarHBondContact CB-OE2 3.46Å; R142-E144 PolarHBondContact O-N 3.21Å; R142-E144 VanDerWaalsContact O-N 3.08Å; E144-W146 PolarHBondContact O-N 3.24Å; E144-V147 WeakPolarHBondContact O-CB 3.49Å; E144-V147 PolarHBondContact O-N 3.49Å; E144-V147 VanDerWaalsContact O-N 3.12Å; E144-I148 WeakPolarHBondContact O-CG1 3.41Å; E144-I148 PolarHBondContact O-N 3.47Å |
| 145 | F | 95 | Very high | 93.8 | Very high | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.066 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -33.1 | 174.9 | -61.3 | -25 | 0 | 0 | 0 | 112 | C74 V77 L80 G140 F141 R142 P143 I148 F149 | C74-F145 VanDerWaalsContact SG-CE1 3.51Å; V77-F145 HydrophobicContact CG2-CD1 3.8Å; V77-F145 HydrophobicContact CG2-CD2 4.27Å; V77-F145 HydrophobicContact CG2-CE1 3.92Å; V77-F145 HydrophobicContact CG2-CE2 4.36Å; V77-F145 HydrophobicContact CG2-CG 3.99Å; V77-F145 HydrophobicContact CG2-CZ 4.19Å; L80-F145 HydrophobicContact CD1-CD2 3.94Å; L80-F145 HydrophobicContact CD1-CE2 3.87Å; L80-F145 HydrophobicContact CD2-CE2 4.38Å; L80-F145 HydrophobicContact CG-CE2 4.42Å; G140-F145 WeakPolarHBondContact O-CE2 3.42Å; F141-F145 AromaticContact CD2-CD2 3.95Å; F141-F145 HydrophobicContact CD2-CD2 3.95Å; F141-F145 HydrophobicContact CE2-CB 4.35Å; F141-F145 HydrophobicContact CE2-CD2 4.19Å; R142-F145 WeakPolarHBondContact O-CB 3.33Å; R142-F145 WeakPolarHBondContact O-CD2 3.36Å; R142-F145 WeakPolarHBondContact O-CG 3.18Å; R142-F145 PolarHBondContact O-N 3Å; P143-F145 PolarHBondContact O-N 3.42Å; P143-F145 VanDerWaalsContact O-N 3.15Å; F145-I148 HydrophobicContact CD1-CD1 4.31Å; F145-I148 PolarHBondContact O-N 3.33Å; F145-F149 PolarHBondContact O-N 2.65Å |
| 146 | W | 95.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -35.8 | 172.9 | -67.2 | -40.1 | 0 | 0 | 0 | 112.6 | H133 F141 P143 E144 F149 G150 L182 V185 M186 Y189 | H133-W146 HydrophobicContact CB-CH2 3.94Å; H133-W146 HydrophobicContact CB-CZ2 3.54Å; H133-W146 AromaticContact CD2-CZ2 3.99Å; H133-W146 AromaticContact CG-CZ2 3.63Å; F141-W146 HydrophobicContact CE1-CH2 4.08Å; F141-W146 AromaticContact CE1-CZ2 4Å; F141-W146 HydrophobicContact CE1-CZ2 4Å; F141-W146 HydrophobicContact CE1-CZ3 4.38Å; F141-W146 AromaticContact CZ-CD2 3.91Å; F141-W146 HydrophobicContact CZ-CD2 3.91Å; F141-W146 AromaticContact CZ-CE2 3.5Å; F141-W146 HydrophobicContact CZ-CE3 4.4Å; F141-W146 HydrophobicContact CZ-CG 4.42Å; F141-W146 HydrophobicContact CZ-CH2 4.19Å; F141-W146 AromaticContact CZ-CZ2 3.68Å; F141-W146 HydrophobicContact CZ-CZ2 3.68Å; F141-W146 AromaticContact CZ-NE1 3.73Å; P143-W146 HydrophobicContact CB-CE3 4.09Å; P143-W146 HydrophobicContact CB-CZ3 4.36Å; P143-W146 WeakPolarHBondContact O-CB 3.29Å; P143-W146 PolarHBondContact O-N 3.04Å; E144-W146 PolarHBondContact O-N 3.24Å; W146-F149 WeakPolarHBondContact O-CB 3.33Å; W146-F149 PolarHBondContact O-N 3.31Å; W146-G150 PolarHBondContact O-N 2.85Å; W146-L182 HydrophobicContact CB-CD2 3.54Å; W146-L182 HydrophobicContact CG-CD2 4.43Å; W146-V185 HydrophobicContact CD2-CG2 3.7Å; W146-V185 HydrophobicContact CE3-CG2 3.74Å; W146-V185 HydrophobicContact CG-CG2 4.3Å; W146-V185 HydrophobicContact CH2-CB 3.9Å; W146-V185 HydrophobicContact CH2-CG2 4.02Å; W146-V185 WeakPolarHBondContact CH2-O 3.16Å; W146-V185 HydrophobicContact CZ2-CB 3.88Å; W146-V185 HydrophobicContact CZ2-CG2 3.98Å; W146-V185 HydrophobicContact CZ3-CB 4.23Å; W146-V185 HydrophobicContact CZ3-CG2 3.91Å; W146-M186 HydrophobicContact CE3-CG 4.01Å; W146-M186 HydrophobicContact CZ3-CG 4.14Å; W146-Y189 AromaticContact CH2-CD2 3.96Å; W146-Y189 HydrophobicContact CH2-CD2 3.96Å; W146-Y189 HydrophobicContact CH2-CG 4.17Å; W146-Y189 HydrophobicContact CZ3-CD2 4.21Å; W146-Y189 HydrophobicContact CZ3-CG 4.13Å |
| 147 | V | 94.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 173.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | F14 I19 E144 F149 G150 N151 M186 | F14-V147 HydrophobicContact CB-CG1 3.88Å; F14-V147 WeakPolarHBondContact O-CG1 3.06Å; I19-V147 HydrophobicContact CD1-CG2 3.87Å; I19-V147 HydrophobicContact CG1-CG2 4.17Å; E144-V147 WeakPolarHBondContact O-CB 3.49Å; E144-V147 PolarHBondContact O-N 3.49Å; E144-V147 VanDerWaalsContact O-N 3.12Å; V147-F149 VanDerWaalsContact C-N 3.34Å; V147-G150 PolarHBondContact O-N 3.45Å; V147-N151 WeakPolarHBondContact O-CB 3.32Å; V147-N151 PolarHBondContact O-N 3.01Å; V147-N151 PolarHBondContact O-ND2 2.74Å; V147-N151 VanDerWaalsContact O-ND2 3.15Å; V147-M186 HydrophobicContact CG2-CE 4.08Å |
| 148 | I | 94.7 | Very high | 94.7 | Very high | 45 Ų | 45 | 31.2 Ų | 31.2 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.7 | -65.8 | 170 | 0 | 0 | 0 | 110.7 | I70 C74 E144 F145 N151 T152 | I70-I148 HydrophobicContact CG1-CG2 4.28Å; I70-I148 HydrophobicContact CG2-CG2 4.42Å; C74-I148 HydrophobicContact CB-CD1 3.8Å; E144-I148 WeakPolarHBondContact O-CG1 3.41Å; E144-I148 PolarHBondContact O-N 3.47Å; F145-I148 HydrophobicContact CD1-CD1 4.31Å; F145-I148 PolarHBondContact O-N 3.33Å; I148-N151 PolarHBondContact O-N 3.4Å; I148-T152 WeakPolarHBondContact O-CB 3.42Å; I148-T152 PolarHBondContact O-N 3.08Å; I148-T152 PolarHBondContact O-OG1 3.09Å |
| 149 | F | 94.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.6 | -54.1 | 173.5 | 153.1 | -104.2 | 0 | 0 | 0 | 111.4 | I66 I70 F104 I108 F145 W146 V147 N151 T152 L153 L181 | I66-F149 HydrophobicContact CD1-CE2 4.33Å; I66-F149 HydrophobicContact CG2-CD2 3.78Å; I66-F149 HydrophobicContact CG2-CE2 4.24Å; I70-F149 HydrophobicContact CD1-CB 4.06Å; F104-F149 HydrophobicContact CD1-CE2 4.46Å; F104-F149 AromaticContact CE1-CD2 3.72Å; F104-F149 HydrophobicContact CE1-CD2 3.72Å; F104-F149 HydrophobicContact CE1-CE1 4.43Å; F104-F149 AromaticContact CE1-CE2 3.16Å; F104-F149 HydrophobicContact CE1-CE2 3.16Å; F104-F149 AromaticContact CE1-CZ 3.6Å; F104-F149 HydrophobicContact CE1-CZ 3.6Å; F104-F149 HydrophobicContact CE2-CD2 4.18Å; F104-F149 HydrophobicContact CE2-CE2 4.26Å; F104-F149 HydrophobicContact CE2-CG 4.33Å; F104-F149 HydrophobicContact CE2-CZ 4.46Å; F104-F149 AromaticContact CZ-CD1 3.89Å; F104-F149 HydrophobicContact CZ-CD1 3.89Å; F104-F149 AromaticContact CZ-CD2 3.31Å; F104-F149 HydrophobicContact CZ-CD2 3.31Å; F104-F149 AromaticContact CZ-CE1 3.65Å; F104-F149 HydrophobicContact CZ-CE1 3.65Å; F104-F149 AromaticContact CZ-CE2 3.06Å; F104-F149 HydrophobicContact CZ-CE2 3.06Å; F104-F149 AromaticContact CZ-CG 3.75Å; F104-F149 HydrophobicContact CZ-CG 3.75Å; F104-F149 AromaticContact CZ-CZ 3.24Å; F104-F149 HydrophobicContact CZ-CZ 3.24Å; I108-F149 HydrophobicContact CD1-CZ 3.99Å; F145-F149 PolarHBondContact O-N 2.65Å; W146-F149 WeakPolarHBondContact O-CB 3.33Å; W146-F149 PolarHBondContact O-N 3.31Å; V147-F149 VanDerWaalsContact C-N 3.34Å; F149-N151 VanDerWaalsContact C-N 3.28Å; F149-N151 PolarHBondContact O-N 3.43Å; F149-T152 WeakPolarHBondContact O-CA 3.4Å; F149-T152 WeakPolarHBondContact O-CB 3.31Å; F149-T152 PolarHBondContact O-N 3.09Å; F149-L153 HydrophobicContact CE2-CB 3.8Å; F149-L153 HydrophobicContact CE2-CD2 3.79Å; F149-L153 HydrophobicContact CE2-CG 4.4Å; F149-L153 HydrophobicContact CZ-CB 4.08Å; F149-L153 HydrophobicContact CZ-CD2 3.5Å; F149-L153 VanDerWaalsContact CZ-CD2 3.5Å; F149-L153 HydrophobicContact CZ-CG 4.45Å; F149-L153 PolarHBondContact O-N 3.08Å; F149-L181 HydrophobicContact CE1-CD2 3.85Å; F149-L181 HydrophobicContact CZ-CD2 4.4Å |
| 150 | G | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.9 | -43.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F14 W146 V147 T152 L153 V154 | F14-G150 VanDerWaalsContact CE2-C 3.47Å; W146-G150 PolarHBondContact O-N 2.85Å; V147-G150 PolarHBondContact O-N 3.45Å; G150-T152 VanDerWaalsContact C-N 3.34Å; G150-T152 PolarHBondContact O-N 3.49Å; G150-L153 PolarHBondContact O-N 3.23Å; G150-V154 WeakPolarHBondContact O-CG2 3.48Å; G150-V154 PolarHBondContact O-N 3.09Å; G150-V154 VanDerWaalsContact O-N 3.1Å |
| 151 | N | 95.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 27.4 Ų | 27.4 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 174.5 | -75 | -35.3 | 0 | 0 | 0 | 112.1 | Y13 F14 V147 I148 F149 N155 | Y13-N151 PolarHBondContact N-OD1 2.99Å; F14-N151 WeakPolarHBondContact CD2-OD1 3.4Å; F14-N151 PolarHBondContact N-OD1 3.04Å; F14-N151 PolarHBondContact O-ND2 3.14Å; F14-N151 VanDerWaalsContact O-ND2 3.12Å; V147-N151 WeakPolarHBondContact O-CB 3.32Å; V147-N151 PolarHBondContact O-N 3.01Å; V147-N151 PolarHBondContact O-ND2 2.74Å; V147-N151 VanDerWaalsContact O-ND2 3.15Å; I148-N151 PolarHBondContact O-N 3.4Å; F149-N151 VanDerWaalsContact C-N 3.28Å; F149-N151 PolarHBondContact O-N 3.43Å; N151-N155 VanDerWaalsContact O-CB 3.25Å; N151-N155 WeakPolarHBondContact O-CB 3.38Å; N151-N155 VanDerWaalsContact O-CG 3.26Å; N151-N155 PolarHBondContact O-N 3.22Å; N151-N155 VanDerWaalsContact O-N 3.12Å; N151-N155 PolarHBondContact O-ND2 3.41Å |
| 152 | T | 96.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 178.5 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | I66 Q69 I148 F149 G150 N155 L156 | I66-T152 HydrophobicContact CG2-CG2 4.36Å; Q69-T152 HydrophobicContact CB-CG2 3.66Å; I148-T152 WeakPolarHBondContact O-CB 3.42Å; I148-T152 PolarHBondContact O-N 3.08Å; I148-T152 PolarHBondContact O-OG1 3.09Å; F149-T152 WeakPolarHBondContact O-CA 3.4Å; F149-T152 WeakPolarHBondContact O-CB 3.31Å; F149-T152 PolarHBondContact O-N 3.09Å; G150-T152 VanDerWaalsContact C-N 3.34Å; G150-T152 PolarHBondContact O-N 3.49Å; T152-N155 WeakPolarHBondContact O-CB 3.5Å; T152-N155 PolarHBondContact O-N 2.85Å; T152-L156 PolarHBondContact O-N 2.92Å |
| 153 | L | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | -179.1 | -179.3 | 54.1 | 0 | 0 | 0 | 112.6 | W51 L54 I66 I108 F149 G150 N155 L156 I157 W174 I178 | W51-L153 HydrophobicContact CZ3-CD1 4.13Å; L54-L153 HydrophobicContact CD1-CD1 4.32Å; I66-L153 HydrophobicContact CD1-CD1 4.25Å; I108-L153 HydrophobicContact CD1-CD2 4.03Å; F149-L153 HydrophobicContact CE2-CB 3.8Å; F149-L153 HydrophobicContact CE2-CD2 3.79Å; F149-L153 HydrophobicContact CE2-CG 4.4Å; F149-L153 HydrophobicContact CZ-CB 4.08Å; F149-L153 HydrophobicContact CZ-CD2 3.5Å; F149-L153 VanDerWaalsContact CZ-CD2 3.5Å; F149-L153 HydrophobicContact CZ-CG 4.45Å; F149-L153 PolarHBondContact O-N 3.08Å; G150-L153 PolarHBondContact O-N 3.23Å; L153-N155 PolarHBondContact O-N 3.23Å; L153-L156 WeakPolarHBondContact O-CB 3.26Å; L153-L156 PolarHBondContact O-N 3.5Å; L153-L156 VanDerWaalsContact O-N 3.1Å; L153-I157 WeakPolarHBondContact O-CG1 3.45Å; L153-I157 PolarHBondContact O-N 3.41Å; L153-W174 HydrophobicContact CD1-CZ3 4.38Å; L153-W174 HydrophobicContact CD2-CE3 3.93Å; L153-W174 HydrophobicContact CD2-CZ3 3.65Å; L153-W174 HydrophobicContact CG-CE3 4.17Å; L153-W174 HydrophobicContact CG-CZ3 4.18Å; L153-I178 HydrophobicContact CB-CD1 4.09Å; L153-I178 HydrophobicContact CD2-CD1 3.92Å; L153-I178 HydrophobicContact CD2-CG1 4.23Å; L153-I178 HydrophobicContact CG-CD1 4.05Å |
| 154 | V | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 111 | Y13 F14 G150 I157 R158 R171 I175 I178 | Y13-V154 HydrophobicContact CD1-CG1 4.29Å; Y13-V154 HydrophobicContact CD2-CB 3.72Å; Y13-V154 HydrophobicContact CD2-CG1 3.51Å; Y13-V154 HydrophobicContact CD2-CG2 4.4Å; Y13-V154 HydrophobicContact CE1-CG1 4.15Å; Y13-V154 HydrophobicContact CE2-CB 3.88Å; Y13-V154 HydrophobicContact CE2-CG1 3.33Å; Y13-V154 HydrophobicContact CG-CB 4.37Å; Y13-V154 HydrophobicContact CG-CG1 3.98Å; F14-V154 HydrophobicContact CE2-CG2 3.79Å; F14-V154 HydrophobicContact CZ-CG2 4.22Å; G150-V154 WeakPolarHBondContact O-CG2 3.48Å; G150-V154 PolarHBondContact O-N 3.09Å; G150-V154 VanDerWaalsContact O-N 3.1Å; V154-I157 PolarHBondContact O-N 3.17Å; V154-R158 WeakPolarHBondContact O-CB 3.37Å; V154-R158 PolarHBondContact O-N 2.96Å; V154-R171 HydrophobicContact CG1-CG 4.22Å; V154-I175 HydrophobicContact CG1-CG1 4.22Å; V154-I175 HydrophobicContact CG2-CG1 4.05Å; V154-I178 HydrophobicContact CG2-CD1 3.47Å; V154-I178 VanDerWaalsContact CG2-CD1 3.47Å |
| 155 | N | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.6 | -83 | -43.1 | 0 | 0 | 0 | 112.2 | F8 T11 N151 T152 L153 I157 R158 S159 | F8-N155 HydrophobicContact CE1-CB 3.55Å; F8-N155 WeakPolarHBondContact CE1-OD1 3.38Å; F8-N155 HydrophobicContact CZ-CB 3.86Å; F8-N155 WeakPolarHBondContact CZ-O 3.43Å; T11-N155 PolarHBondContact N-OD1 3.27Å; T11-N155 PolarHBondContact O-ND2 2.96Å; T11-N155 VanDerWaalsContact O-ND2 3.08Å; N151-N155 VanDerWaalsContact O-CB 3.25Å; N151-N155 WeakPolarHBondContact O-CB 3.38Å; N151-N155 VanDerWaalsContact O-CG 3.26Å; N151-N155 PolarHBondContact O-N 3.22Å; N151-N155 VanDerWaalsContact O-N 3.12Å; N151-N155 PolarHBondContact O-ND2 3.41Å; T152-N155 WeakPolarHBondContact O-CB 3.5Å; T152-N155 PolarHBondContact O-N 2.85Å; L153-N155 PolarHBondContact O-N 3.23Å; N155-I157 VanDerWaalsContact C-N 3.34Å; N155-I157 PolarHBondContact O-N 3.4Å; N155-R158 PolarHBondContact O-N 2.58Å; N155-S159 PolarHBondContact O-N 3.22Å |
| 156 | L | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 172.2 | -80.6 | 171.4 | 0 | 0 | 0 | 111.8 | L54 F58 E65 I66 T152 L153 R158 S159 | L54-L156 HydrophobicContact CD1-CB 4.28Å; L54-L156 HydrophobicContact CD2-CB 4.15Å; F58-L156 HydrophobicContact CE2-CD2 3.9Å; F58-L156 HydrophobicContact CZ-CD2 3.87Å; E65-L156 HydrophobicContact CG-CD1 4.31Å; E65-L156 HydrophobicContact CG-CD2 4.02Å; I66-L156 HydrophobicContact CG1-CD1 3.57Å; T152-L156 PolarHBondContact O-N 2.92Å; L153-L156 WeakPolarHBondContact O-CB 3.26Å; L153-L156 PolarHBondContact O-N 3.5Å; L153-L156 VanDerWaalsContact O-N 3.1Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 3.32Å; L156-S159 WeakPolarHBondContact O-CB 3.44Å; L156-S159 PolarHBondContact O-N 2.88Å; L156-S159 VanDerWaalsContact O-N 3.09Å; L156-S159 PolarHBondContact O-OG 3.46Å |
| 157 | I | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.5 | -64.4 | -64.6 | 0 | 0 | 0 | 111.5 | L54 L153 V154 N155 S159 L160 A170 W174 | L54-I157 HydrophobicContact CD1-CD1 3.44Å; L54-I157 VanDerWaalsContact CD1-CD1 3.44Å; L54-I157 HydrophobicContact CD1-CG1 4.26Å; L54-I157 HydrophobicContact CG-CD1 4.1Å; L153-I157 WeakPolarHBondContact O-CG1 3.45Å; L153-I157 PolarHBondContact O-N 3.41Å; V154-I157 PolarHBondContact O-N 3.17Å; N155-I157 VanDerWaalsContact C-N 3.34Å; N155-I157 PolarHBondContact O-N 3.4Å; I157-S159 PolarHBondContact O-N 2.98Å; I157-L160 HydrophobicContact CD1-CD1 4.31Å; I157-L160 WeakPolarHBondContact O-CB 3.42Å; I157-L160 WeakPolarHBondContact O-CG 3.37Å; I157-L160 PolarHBondContact O-N 2.72Å; I157-L160 VanDerWaalsContact O-N 3.13Å; I157-A170 HydrophobicContact CG2-CB 3.91Å; I157-W174 HydrophobicContact CB-CG 4.46Å; I157-W174 HydrophobicContact CD1-CD2 4.01Å; I157-W174 HydrophobicContact CD1-CG 4.28Å; I157-W174 HydrophobicContact CD1-CZ2 3.66Å; I157-W174 VanDerWaalsContact CD1-NE1 3.32Å; I157-W174 HydrophobicContact CG1-CD2 3.82Å; I157-W174 HydrophobicContact CG1-CG 3.79Å; I157-W174 HydrophobicContact CG1-CZ2 4.37Å; I157-W174 HydrophobicContact CG2-CG 4.23Å |
| 158 | R | 95.4 | Very high | 96.6 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -26.7 | 177.1 | -173.9 | 177.6 | 69.8 | 80.8 | -14.6 | 112.8 | F8 R9 V154 N155 L156 L160 | F8-R158 VanDerWaalsContact CE2-NH1 3.26Å; F8-R158 HydrophobicContact CZ-CB 4.28Å; R9-R158 PolarHBondContact O-NH2 2.85Å; V154-R158 WeakPolarHBondContact O-CB 3.37Å; V154-R158 PolarHBondContact O-N 2.96Å; N155-R158 PolarHBondContact O-N 2.58Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 3.32Å; R158-L160 PolarHBondContact O-N 3.02Å |
| 159 | S | 96 | Very high | 96.7 | Very high | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7 | 179.2 | 85.2 | 0 | 0 | 0 | 0 | 113.8 | R57 N155 L156 I157 | R57-S159 PolarHBondContact NH1-O 2.9Å; R57-S159 VanDerWaalsContact NH1-O 3.08Å; R57-S159 PolarHBondContact NH1-OG 2.88Å; R57-S159 VanDerWaalsContact NH1-OG 3.08Å; N155-S159 PolarHBondContact O-N 3.22Å; L156-S159 WeakPolarHBondContact O-CB 3.44Å; L156-S159 PolarHBondContact O-N 2.88Å; L156-S159 VanDerWaalsContact O-N 3.09Å; L156-S159 PolarHBondContact O-OG 3.46Å; I157-S159 PolarHBondContact O-N 2.98Å |
| 160 | L | 98 | Very high | 96.9 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -74.7 | 143.9 | 179.1 | -67.9 | 174 | 0 | 0 | 0 | 112.1 | T50 K53 L54 I157 R158 L162 | T50-L160 HydrophobicContact CG2-CD1 3.97Å; T50-L160 WeakPolarHBondContact O-CD1 3.4Å; K53-L160 HydrophobicContact CB-CD1 4.11Å; K53-L160 HydrophobicContact CB-CD2 3.91Å; L54-L160 HydrophobicContact CD2-CD1 4.21Å; L54-L160 HydrophobicContact CD2-CD2 3.75Å; L54-L160 HydrophobicContact CD2-CG 4.01Å; L54-L160 HydrophobicContact CG-CD1 4.18Å; L54-L160 HydrophobicContact CG-CD2 4.35Å; I157-L160 HydrophobicContact CD1-CD1 4.31Å; I157-L160 WeakPolarHBondContact O-CB 3.42Å; I157-L160 WeakPolarHBondContact O-CG 3.37Å; I157-L160 PolarHBondContact O-N 2.72Å; I157-L160 VanDerWaalsContact O-N 3.13Å; R158-L160 PolarHBondContact O-N 3.02Å; L160-L162 HydrophobicContact CB-CD1 4.05Å; L160-L162 HydrophobicContact CB-CD2 4.48Å; L160-L162 HydrophobicContact CB-CG 3.9Å; L160-L162 PolarHBondContact O-N 3.45Å |
| 161 | P | 96.4 | Very high | 97 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 66% | 0.662 | 25% | 0.249 | S | C | * | . | trans | -74.7 | 93.1 | 173 | 31.1 | -33.5 | 0 | 0 | 0 | 110.1 | ||||
| 162 | L | 96.8 | Very high | 97 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | trans | -123.1 | 157.1 | -179.9 | -59.5 | 171.9 | 0 | 0 | 0 | 110.9 | T50 K53 L160 Q166 R167 A170 | T50-L162 HydrophobicContact CG2-CD1 3.67Å; T50-L162 HydrophobicContact CG2-CD2 4.18Å; K53-L162 HydrophobicContact CD-CD2 3.99Å; L160-L162 HydrophobicContact CB-CD1 4.05Å; L160-L162 HydrophobicContact CB-CD2 4.48Å; L160-L162 HydrophobicContact CB-CG 3.9Å; L160-L162 PolarHBondContact O-N 3.45Å; L162-Q166 HydrophobicContact CB-CB 3.91Å; L162-R167 HydrophobicContact CB-CG 3.72Å; L162-R167 PolarHBondContact O-NE 3.17Å; L162-R167 PolarHBondContact O-NH2 3.43Å; L162-A170 HydrophobicContact CD1-CB 4.15Å | ||
| 163 | S | 97.2 | Very high | 97 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | trans | -64.7 | 161.9 | 169.3 | 76.4 | 0 | 0 | 0 | 0 | 111.3 | S165 Q166 R167 | S163-S165 VanDerWaalsContact C-N 3.32Å; S163-S165 PolarHBondContact O-N 3.02Å; S163-S165 PolarHBondContact OG-OG 2.8Å; S163-Q166 PolarHBondContact O-N 3.4Å; S163-Q166 WeakPolarHBondContact OG-CB 3.35Å; S163-Q166 VanDerWaalsContact OG-CG 3.3Å; S163-Q166 WeakPolarHBondContact OG-CG 3.36Å; S163-Q166 PolarHBondContact OG-N 3.39Å; S163-Q166 PolarHBondContact OG-OE1 3.5Å; S163-R167 VanDerWaalsContact O-CG 3.31Å; S163-R167 WeakPolarHBondContact O-CG 3.45Å; S163-R167 PolarHBondContact O-N 3.01Å | ||
| 164 | L | 96 | Very high | 97.1 | Very high | 150 Ų | 150 | 53.9 Ų | 53.9 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | -179 | -69.4 | 176.8 | 0 | 0 | 0 | 112.8 | R167 Y168 | L164-R167 PolarHBondContact O-N 3.12Å; L164-Y168 PolarHBondContact O-N 3.37Å; L164-Y168 VanDerWaalsContact O-N 3.12Å |
| 165 | S | 96.3 | Very high | 97 | Very high | 89 Ų | 89 | 56 Ų | 56 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | S163 Y168 L169 | S163-S165 VanDerWaalsContact C-N 3.32Å; S163-S165 PolarHBondContact O-N 3.02Å; S163-S165 PolarHBondContact OG-OG 2.8Å; S165-Y168 PolarHBondContact O-N 2.98Å; S165-L169 WeakPolarHBondContact O-CB 3.44Å; S165-L169 PolarHBondContact O-N 2.86Å |
| 166 | Q | 98 | Very high | 96.9 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.6 | -75.3 | 176.7 | -26.9 | 0 | 0 | 112.1 | I46 L162 S163 L169 A170 | I46-Q166 HydrophobicContact CD1-CB 3.97Å; I46-Q166 HydrophobicContact CD1-CG 3.95Å; L162-Q166 HydrophobicContact CB-CB 3.91Å; S163-Q166 PolarHBondContact O-N 3.4Å; S163-Q166 WeakPolarHBondContact OG-CB 3.35Å; S163-Q166 VanDerWaalsContact OG-CG 3.3Å; S163-Q166 WeakPolarHBondContact OG-CG 3.36Å; S163-Q166 PolarHBondContact OG-N 3.39Å; S163-Q166 PolarHBondContact OG-OE1 3.5Å; Q166-L169 PolarHBondContact O-N 3.28Å; Q166-A170 WeakPolarHBondContact O-CB 3.5Å; Q166-A170 PolarHBondContact O-N 2.83Å |
| 167 | R | 97.9 | Very high | 96.8 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 46% | 0.457 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 176.8 | -72.5 | 179.1 | -165 | -138.2 | 1.5 | 111.7 | L162 S163 L164 R171 | L162-R167 HydrophobicContact CB-CG 3.72Å; L162-R167 PolarHBondContact O-NE 3.17Å; L162-R167 PolarHBondContact O-NH2 3.43Å; S163-R167 VanDerWaalsContact O-CG 3.31Å; S163-R167 WeakPolarHBondContact O-CG 3.45Å; S163-R167 PolarHBondContact O-N 3.01Å; L164-R167 PolarHBondContact O-N 3.12Å; R167-R171 VanDerWaalsContact O-CB 3.29Å; R167-R171 WeakPolarHBondContact O-CB 3.4Å; R167-R171 PolarHBondContact O-N 3.18Å |
| 168 | Y | 97 | Very high | 96.8 | Very high | 136 Ų | 136 | 58.7 Ų | 58.7 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 179.1 | 176.5 | -92.4 | 0 | 0 | 0 | 111 | L164 S165 R171 R172 | L164-Y168 PolarHBondContact O-N 3.37Å; L164-Y168 VanDerWaalsContact O-N 3.12Å; S165-Y168 PolarHBondContact O-N 2.98Å; Y168-R171 PolarHBondContact O-N 3.45Å; Y168-R172 PolarHBondContact O-N 3.37Å |
| 169 | L | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | -179.6 | -174 | 62.3 | 0 | 0 | 0 | 111.2 | K42 E43 I46 S165 Q166 R171 R172 T173 | K42-L169 HydrophobicContact CB-CD2 4.22Å; E43-L169 HydrophobicContact CG-CD1 3.99Å; I46-L169 HydrophobicContact CB-CD2 4.1Å; I46-L169 HydrophobicContact CB-CG 4.3Å; I46-L169 HydrophobicContact CG2-CD2 4.07Å; I46-L169 HydrophobicContact CG2-CG 3.82Å; S165-L169 WeakPolarHBondContact O-CB 3.44Å; S165-L169 PolarHBondContact O-N 2.86Å; Q166-L169 PolarHBondContact O-N 3.28Å; L169-R171 PolarHBondContact O-N 3.47Å; L169-R172 PolarHBondContact O-N 2.84Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 PolarHBondContact O-N 3.35Å; L169-T173 PolarHBondContact O-OG1 2.94Å |
| 170 | A | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.4 | -50.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I46 T50 I157 L162 Q166 R172 T173 W174 | I46-A170 HydrophobicContact CD1-CB 4.49Å; I46-A170 HydrophobicContact CG1-CB 3.7Å; T50-A170 HydrophobicContact CG2-CB 3.93Å; I157-A170 HydrophobicContact CG2-CB 3.91Å; L162-A170 HydrophobicContact CD1-CB 4.15Å; Q166-A170 WeakPolarHBondContact O-CB 3.5Å; Q166-A170 PolarHBondContact O-N 2.83Å; A170-R172 VanDerWaalsContact C-N 3.34Å; A170-R172 PolarHBondContact O-N 3.21Å; A170-T173 PolarHBondContact O-N 3Å; A170-W174 WeakPolarHBondContact O-CB 3.11Å; A170-W174 PolarHBondContact O-N 2.83Å |
| 171 | R | 97.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 55.9 Ų | 55.9 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 179 | -178 | -177.3 | 67.6 | 173 | 1 | 111.5 | Y13 V154 R167 Y168 L169 I175 | Y13-R171 HydrophobicContact CE1-CG 4.23Å; V154-R171 HydrophobicContact CG1-CG 4.22Å; R167-R171 VanDerWaalsContact O-CB 3.29Å; R167-R171 WeakPolarHBondContact O-CB 3.4Å; R167-R171 PolarHBondContact O-N 3.18Å; Y168-R171 PolarHBondContact O-N 3.45Å; L169-R171 PolarHBondContact O-N 3.47Å; R171-I175 HydrophobicContact CG-CD1 3.8Å; R171-I175 WeakPolarHBondContact O-CB 3.34Å; R171-I175 WeakPolarHBondContact O-CD1 3.31Å; R171-I175 WeakPolarHBondContact O-CG1 3.49Å; R171-I175 PolarHBondContact O-N 3.34Å |
| 172 | R | 96.7 | Very high | 96.4 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 179.9 | -169.7 | -177.4 | 80.3 | 168.2 | 6.7 | 111.5 | E43 Y168 L169 A170 I175 K176 | E43-R172 IonicContact OE1-CZ 2.66Å; E43-R172 IonicContact OE1-NE 3.44Å; E43-R172 PolarHBondContact OE1-NE 2.94Å; E43-R172 IonicContact OE1-NH2 3.31Å; E43-R172 PolarHBondContact OE1-NH2 3.19Å; Y168-R172 PolarHBondContact O-N 3.37Å; L169-R172 PolarHBondContact O-N 2.84Å; A170-R172 VanDerWaalsContact C-N 3.34Å; A170-R172 PolarHBondContact O-N 3.21Å; R172-I175 PolarHBondContact O-N 2.91Å; R172-K176 WeakPolarHBondContact O-CB 3.42Å; R172-K176 PolarHBondContact O-N 3.15Å |
| 173 | T | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | F39 E43 I46 A47 L169 A170 K176 L177 | F39-T173 HydrophobicContact CD1-CG2 4.1Å; F39-T173 HydrophobicContact CE1-CG2 4.06Å; E43-T173 HydrophobicContact CB-CG2 3.98Å; E43-T173 WeakPolarHBondContact CG-OG1 3.21Å; E43-T173 WeakPolarHBondContact O-CG2 3.4Å; I46-T173 HydrophobicContact CG2-CG2 4.23Å; I46-T173 WeakPolarHBondContact CG2-OG1 3.37Å; A47-T173 HydrophobicContact CB-CG2 4.04Å; L169-T173 WeakPolarHBondContact O-CB 3.46Å; L169-T173 PolarHBondContact O-N 3.35Å; L169-T173 PolarHBondContact O-OG1 2.94Å; A170-T173 PolarHBondContact O-N 3Å; T173-K176 WeakPolarHBondContact O-CB 3.34Å; T173-K176 PolarHBondContact O-N 3.32Å; T173-L177 HydrophobicContact CG2-CD1 4.12Å; T173-L177 PolarHBondContact O-N 3.3Å |
| 174 | W | 97.5 | Very high | 96 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | -178.3 | -83 | 98.2 | 0 | 0 | 0 | 112.7 | T50 W51 I108 I112 L153 I157 A170 K176 L177 I178 | T50-W174 PolarHBondContact OG1-NE1 2.97Å; W51-W174 HydrophobicContact CB-CH2 4.4Å; W51-W174 HydrophobicContact CB-CZ2 4.02Å; W51-W174 HydrophobicContact CD2-CH2 4.15Å; W51-W174 AromaticContact CE3-CH2 3.51Å; W51-W174 HydrophobicContact CE3-CH2 3.51Å; W51-W174 AromaticContact CE3-CZ2 3.96Å; W51-W174 HydrophobicContact CE3-CZ2 3.96Å; W51-W174 HydrophobicContact CZ3-CH2 4.1Å; I108-W174 HydrophobicContact CG2-CH2 3.71Å; I108-W174 HydrophobicContact CG2-CZ3 3.8Å; I112-W174 HydrophobicContact CD1-CH2 3.89Å; I112-W174 HydrophobicContact CD1-CZ2 4.21Å; L153-W174 HydrophobicContact CD1-CZ3 4.38Å; L153-W174 HydrophobicContact CD2-CE3 3.93Å; L153-W174 HydrophobicContact CD2-CZ3 3.65Å; L153-W174 HydrophobicContact CG-CE3 4.17Å; L153-W174 HydrophobicContact CG-CZ3 4.18Å; I157-W174 HydrophobicContact CB-CG 4.46Å; I157-W174 HydrophobicContact CD1-CD2 4.01Å; I157-W174 HydrophobicContact CD1-CG 4.28Å; I157-W174 HydrophobicContact CD1-CZ2 3.66Å; I157-W174 VanDerWaalsContact CD1-NE1 3.32Å; I157-W174 HydrophobicContact CG1-CD2 3.82Å; I157-W174 HydrophobicContact CG1-CG 3.79Å; I157-W174 HydrophobicContact CG1-CZ2 4.37Å; I157-W174 HydrophobicContact CG2-CG 4.23Å; A170-W174 WeakPolarHBondContact O-CB 3.11Å; A170-W174 PolarHBondContact O-N 2.83Å; W174-K176 VanDerWaalsContact C-N 3.31Å; W174-K176 PolarHBondContact O-N 3.1Å; W174-L177 HydrophobicContact CD2-CD1 4.4Å; W174-L177 HydrophobicContact CE3-CD1 4.25Å; W174-L177 PolarHBondContact O-N 3Å; W174-I178 HydrophobicContact CE3-CD1 4.42Å; W174-I178 WeakPolarHBondContact O-CB 3.45Å; W174-I178 WeakPolarHBondContact O-CD1 3.35Å; W174-I178 WeakPolarHBondContact O-CG1 3.38Å; W174-I178 PolarHBondContact O-N 3.06Å |
| 175 | I | 96.6 | Very high | 96 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 171.9 | -71.5 | 167 | 0 | 0 | 0 | 109.8 | Y13 F14 V154 R171 R172 L177 I178 V179 | Y13-I175 HydrophobicContact CD1-CD1 3.54Å; Y13-I175 HydrophobicContact CD1-CG1 4.25Å; Y13-I175 HydrophobicContact CE1-CD1 4.09Å; Y13-I175 HydrophobicContact CG-CD1 4.19Å; Y13-I175 HydrophobicContact CG-CG1 4.42Å; F14-I175 HydrophobicContact CE1-CG2 4.35Å; F14-I175 HydrophobicContact CZ-CG1 4.44Å; F14-I175 HydrophobicContact CZ-CG2 4.32Å; V154-I175 HydrophobicContact CG1-CG1 4.22Å; V154-I175 HydrophobicContact CG2-CG1 4.05Å; R171-I175 HydrophobicContact CG-CD1 3.8Å; R171-I175 WeakPolarHBondContact O-CB 3.34Å; R171-I175 WeakPolarHBondContact O-CD1 3.31Å; R171-I175 WeakPolarHBondContact O-CG1 3.49Å; R171-I175 PolarHBondContact O-N 3.34Å; R172-I175 PolarHBondContact O-N 2.91Å; I175-L177 PolarHBondContact O-N 3.3Å; I175-I178 PolarHBondContact O-N 3.41Å; I175-V179 HydrophobicContact CG2-CG2 4.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.29Å; I175-V179 PolarHBondContact O-N 2.92Å |
| 176 | K | 95 | Very high | 95.9 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 27% | 0.265 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 179.4 | -178.2 | 176.1 | 173.3 | 173.3 | 0 | 113.1 | P37 E38 F39 E43 R172 T173 W174 V179 Y180 | P37-K176 HydrophobicContact CB-CD 4.44Å; P37-K176 HydrophobicContact CB-CG 4.09Å; P37-K176 HydrophobicContact CG-CG 4.49Å; E38-K176 WeakPolarHBondContact O-CE 3.46Å; E38-K176 PolarHBondContact O-NZ 2.99Å; F39-K176 HydrophobicContact CD1-CD 4.09Å; F39-K176 HydrophobicContact CE1-CB 4Å; F39-K176 HydrophobicContact CE1-CD 3.62Å; F39-K176 HydrophobicContact CE1-CG 3.69Å; F39-K176 HydrophobicContact CZ-CB 4.3Å; F39-K176 HydrophobicContact CZ-CD 4.06Å; F39-K176 HydrophobicContact CZ-CG 3.74Å; E43-K176 IonicContact OE2-NZ 3.81Å; R172-K176 WeakPolarHBondContact O-CB 3.42Å; R172-K176 PolarHBondContact O-N 3.15Å; T173-K176 WeakPolarHBondContact O-CB 3.34Å; T173-K176 PolarHBondContact O-N 3.32Å; W174-K176 VanDerWaalsContact C-N 3.31Å; W174-K176 PolarHBondContact O-N 3.1Å; K176-V179 PolarHBondContact O-N 2.96Å; K176-Y180 PolarHBondContact O-N 3.47Å |
| 177 | L | 95.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.4 | -78 | 169.3 | 0 | 0 | 0 | 111.9 | F39 A47 L115 T173 W174 I175 Y180 L181 | F39-L177 HydrophobicContact CE1-CD2 3.93Å; F39-L177 HydrophobicContact CE1-CG 3.73Å; F39-L177 HydrophobicContact CE2-CD2 3.74Å; F39-L177 HydrophobicContact CE2-CG 4.42Å; F39-L177 HydrophobicContact CZ-CB 4.32Å; F39-L177 HydrophobicContact CZ-CD2 3.34Å; F39-L177 HydrophobicContact CZ-CG 3.54Å; A47-L177 HydrophobicContact CB-CD1 4.03Å; L115-L177 HydrophobicContact CD1-CD2 3.27Å; T173-L177 HydrophobicContact CG2-CD1 4.12Å; T173-L177 PolarHBondContact O-N 3.3Å; W174-L177 HydrophobicContact CD2-CD1 4.4Å; W174-L177 HydrophobicContact CE3-CD1 4.25Å; W174-L177 PolarHBondContact O-N 3Å; I175-L177 PolarHBondContact O-N 3.3Å; L177-Y180 PolarHBondContact O-N 3.44Å; L177-L181 PolarHBondContact O-N 3.27Å |
| 178 | I | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.3 | -38.2 | -177.2 | -66.4 | 162.6 | 0 | 0 | 0 | 110.8 | F14 L153 V154 W174 I175 Y180 L181 L182 | F14-I178 HydrophobicContact CD1-CG2 4.44Å; F14-I178 HydrophobicContact CD2-CG2 4.34Å; F14-I178 HydrophobicContact CE1-CB 4.15Å; F14-I178 HydrophobicContact CE1-CG2 3.73Å; F14-I178 HydrophobicContact CE2-CB 4.22Å; F14-I178 HydrophobicContact CE2-CD1 4.28Å; F14-I178 HydrophobicContact CE2-CG2 3.63Å; F14-I178 HydrophobicContact CZ-CB 3.56Å; F14-I178 HydrophobicContact CZ-CD1 4.26Å; F14-I178 HydrophobicContact CZ-CG2 3.29Å; L153-I178 HydrophobicContact CB-CD1 4.09Å; L153-I178 HydrophobicContact CD2-CD1 3.92Å; L153-I178 HydrophobicContact CD2-CG1 4.23Å; L153-I178 HydrophobicContact CG-CD1 4.05Å; V154-I178 HydrophobicContact CG2-CD1 3.47Å; V154-I178 VanDerWaalsContact CG2-CD1 3.47Å; W174-I178 HydrophobicContact CE3-CD1 4.42Å; W174-I178 WeakPolarHBondContact O-CB 3.45Å; W174-I178 WeakPolarHBondContact O-CD1 3.35Å; W174-I178 WeakPolarHBondContact O-CG1 3.38Å; W174-I178 PolarHBondContact O-N 3.06Å; I175-I178 PolarHBondContact O-N 3.41Å; I178-Y180 VanDerWaalsContact C-N 3.31Å; I178-Y180 PolarHBondContact O-N 2.8Å; I178-L181 PolarHBondContact O-N 2.84Å; I178-L182 HydrophobicContact CG2-CD1 3.89Å; I178-L182 HydrophobicContact CG2-CG 3.96Å; I178-L182 WeakPolarHBondContact O-CB 3.48Å; I178-L182 WeakPolarHBondContact O-CG 3.46Å; I178-L182 PolarHBondContact O-N 2.76Å |
| 179 | V | 93.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 24.3 Ų | 24.3 | 29% | 0.285 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -54 | -51.7 | 172.3 | 168.4 | 0 | 0 | 0 | 0 | 109.7 | F14 I175 K176 L181 L182 D183 | F14-V179 HydrophobicContact CD1-CG2 4.43Å; F14-V179 HydrophobicContact CE1-CG2 3.75Å; I175-V179 HydrophobicContact CG2-CG2 4.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.29Å; I175-V179 PolarHBondContact O-N 2.92Å; K176-V179 PolarHBondContact O-N 2.96Å; V179-L181 PolarHBondContact O-N 3.18Å; V179-L182 PolarHBondContact O-N 2.83Å; V179-L182 VanDerWaalsContact O-N 3.14Å; V179-D183 WeakPolarHBondContact CG1-OD2 3.4Å; V179-D183 WeakPolarHBondContact O-CB 3.49Å; V179-D183 PolarHBondContact O-N 3.34Å |
| 180 | Y | 93.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 178.2 | 166.8 | -103 | 0 | 0 | 0 | 113 | I34 Q36 P37 L111 L115 T123 L126 K176 L177 I178 L182 D183 C184 | I34-Y180 HydrophobicContact CG2-CD2 3.88Å; I34-Y180 HydrophobicContact CG2-CE2 3.56Å; Q36-Y180 HydrophobicContact CB-CE2 4.24Å; Q36-Y180 HydrophobicContact CG-CE2 4.16Å; P37-Y180 HydrophobicContact CG-CD2 4.2Å; P37-Y180 HydrophobicContact CG-CG 3.98Å; L111-Y180 HydrophobicContact CD2-CD1 4.01Å; L111-Y180 HydrophobicContact CD2-CE1 3.82Å; L115-Y180 HydrophobicContact CD1-CD1 4.05Å; L115-Y180 HydrophobicContact CD1-CE1 4.19Å; L115-Y180 HydrophobicContact CD2-CD1 4.13Å; L115-Y180 HydrophobicContact CD2-CE1 3.61Å; L115-Y180 HydrophobicContact CG-CE1 4.38Å; T123-Y180 PolarHBondContact OG1-OH 3.2Å; L126-Y180 HydrophobicContact CD1-CE1 3.9Å; K176-Y180 PolarHBondContact O-N 3.47Å; L177-Y180 PolarHBondContact O-N 3.44Å; I178-Y180 VanDerWaalsContact C-N 3.31Å; I178-Y180 PolarHBondContact O-N 2.8Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 3.27Å; Y180-D183 PolarHBondContact O-N 2.74Å; Y180-C184 PolarHBondContact O-N 2.88Å; Y180-C184 PolarHBondContact O-SG 3.44Å |
| 181 | L | 95.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 174.9 | 169.7 | 60.9 | 0 | 0 | 0 | 111.5 | I108 L111 L126 F149 L177 I178 V179 C184 V185 | I108-L181 HydrophobicContact CD1-CD2 4.19Å; L111-L181 HydrophobicContact CD1-CB 4.01Å; L111-L181 HydrophobicContact CD1-CD1 4.18Å; L111-L181 HydrophobicContact CD1-CD2 3.85Å; L111-L181 HydrophobicContact CD1-CG 4.22Å; L126-L181 HydrophobicContact CD1-CD1 4.02Å; L126-L181 HydrophobicContact CD2-CD1 3.59Å; L126-L181 HydrophobicContact CG-CD1 4.35Å; F149-L181 HydrophobicContact CE1-CD2 3.85Å; F149-L181 HydrophobicContact CZ-CD2 4.4Å; L177-L181 PolarHBondContact O-N 3.27Å; I178-L181 PolarHBondContact O-N 2.84Å; V179-L181 PolarHBondContact O-N 3.18Å; L181-C184 PolarHBondContact O-N 3.43Å; L181-V185 HydrophobicContact CD1-CG1 3.93Å; L181-V185 WeakPolarHBondContact O-CG2 3.33Å; L181-V185 PolarHBondContact O-N 3.39Å |
| 182 | L | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -179.6 | -69.3 | -177.1 | 0 | 0 | 0 | 111.3 | F14 W146 I178 V179 Y180 C184 V185 M186 | F14-L182 HydrophobicContact CB-CD1 4.39Å; F14-L182 HydrophobicContact CD1-CD1 3.7Å; F14-L182 HydrophobicContact CE1-CD1 4.17Å; F14-L182 HydrophobicContact CG-CD1 4.01Å; W146-L182 HydrophobicContact CB-CD2 3.54Å; W146-L182 HydrophobicContact CG-CD2 4.43Å; I178-L182 HydrophobicContact CG2-CD1 3.89Å; I178-L182 HydrophobicContact CG2-CG 3.96Å; I178-L182 WeakPolarHBondContact O-CB 3.48Å; I178-L182 WeakPolarHBondContact O-CG 3.46Å; I178-L182 PolarHBondContact O-N 2.76Å; V179-L182 PolarHBondContact O-N 2.83Å; V179-L182 VanDerWaalsContact O-N 3.14Å; Y180-L182 VanDerWaalsContact C-N 3.34Å; Y180-L182 PolarHBondContact O-N 3.27Å; L182-C184 VanDerWaalsContact C-N 3.33Å; L182-C184 PolarHBondContact O-N 3.18Å; L182-V185 WeakPolarHBondContact O-CG2 3.22Å; L182-V185 PolarHBondContact O-N 3.39Å; L182-M186 HydrophobicContact CB-CE 4.32Å; L182-M186 HydrophobicContact CD2-CE 4.32Å; L182-M186 WeakPolarHBondContact O-CB 3.04Å; L182-M186 WeakPolarHBondContact O-CG 3.3Å; L182-M186 PolarHBondContact O-N 3.47Å |
| 183 | D | 93 | Very high | 94.3 | Very high | 35 Ų | 35 | 19.4 Ų | 19.4 | 19% | 0.187 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 178.5 | -67.8 | -14.4 | 0 | 0 | 0 | 110.6 | M22 I34 V179 Y180 L187 | M22-D183 HydrophobicContact CE-CB 3.58Å; M22-D183 VanDerWaalsContact CE-CG 3.42Å; M22-D183 WeakPolarHBondContact CE-OD1 3.39Å; I34-D183 HydrophobicContact CD1-CB 3.77Å; V179-D183 WeakPolarHBondContact CG1-OD2 3.4Å; V179-D183 WeakPolarHBondContact O-CB 3.49Å; V179-D183 PolarHBondContact O-N 3.34Å; Y180-D183 PolarHBondContact O-N 2.74Å; D183-L187 VanDerWaalsContact O-CB 3.27Å; D183-L187 WeakPolarHBondContact O-CB 3.39Å; D183-L187 PolarHBondContact O-N 2.71Å |
| 184 | C | 93.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -53.1 | 176.9 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | L126 I127 Y180 L181 L182 M186 L187 G188 | L126-C184 HydrophobicContact CB-CB 3.45Å; L126-C184 VanDerWaalsContact CB-CB 3.45Å; L126-C184 HydrophobicContact CD1-CB 4.12Å; L126-C184 HydrophobicContact CG-CB 4.45Å; I127-C184 WeakPolarHBondContact CA-O 3.11Å; I127-C184 HydrophobicContact CG1-CB 4.27Å; Y180-C184 PolarHBondContact O-N 2.88Å; Y180-C184 PolarHBondContact O-SG 3.44Å; L181-C184 PolarHBondContact O-N 3.43Å; L182-C184 VanDerWaalsContact C-N 3.33Å; L182-C184 PolarHBondContact O-N 3.18Å; C184-M186 VanDerWaalsContact C-N 3.34Å; C184-M186 PolarHBondContact O-N 3.29Å; C184-L187 PolarHBondContact O-N 3.23Å; C184-G188 PolarHBondContact O-N 2.88Å |
| 185 | V | 95.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.7 | -32.6 | -174.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | L129 G130 W146 L181 L182 Y189 | L129-V185 HydrophobicContact CD2-CG1 4.39Å; G130-V185 WeakPolarHBondContact CA-O 3.34Å; W146-V185 HydrophobicContact CD2-CG2 3.7Å; W146-V185 HydrophobicContact CE3-CG2 3.74Å; W146-V185 HydrophobicContact CG-CG2 4.3Å; W146-V185 HydrophobicContact CH2-CB 3.9Å; W146-V185 HydrophobicContact CH2-CG2 4.02Å; W146-V185 WeakPolarHBondContact CH2-O 3.16Å; W146-V185 HydrophobicContact CZ2-CB 3.88Å; W146-V185 HydrophobicContact CZ2-CG2 3.98Å; W146-V185 HydrophobicContact CZ3-CB 4.23Å; W146-V185 HydrophobicContact CZ3-CG2 3.91Å; L181-V185 HydrophobicContact CD1-CG1 3.93Å; L181-V185 WeakPolarHBondContact O-CG2 3.33Å; L181-V185 PolarHBondContact O-N 3.39Å; L182-V185 WeakPolarHBondContact O-CG2 3.22Å; L182-V185 PolarHBondContact O-N 3.39Å; V185-Y189 VanDerWaalsContact O-CB 3.3Å; V185-Y189 WeakPolarHBondContact O-CB 3.46Å; V185-Y189 PolarHBondContact O-N 3.14Å; V185-Y189 VanDerWaalsContact O-N 3.08Å |
| 186 | M | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.7 | -42.1 | 174.8 | -71.6 | -178.9 | -175.6 | 0 | 0 | 111.1 | I19 M22 W146 V147 L182 C184 G188 Y189 F190 | I19-M186 HydrophobicContact CG1-CE 3.69Å; I19-M186 HydrophobicContact CG1-SD 4.18Å; M22-M186 HydrophobicContact CB-CB 4.15Å; M22-M186 HydrophobicContact CG-CB 3.96Å; M22-M186 HydrophobicContact CG-SD 4.19Å; W146-M186 HydrophobicContact CE3-CG 4.01Å; W146-M186 HydrophobicContact CZ3-CG 4.14Å; V147-M186 HydrophobicContact CG2-CE 4.08Å; L182-M186 HydrophobicContact CB-CE 4.32Å; L182-M186 HydrophobicContact CD2-CE 4.32Å; L182-M186 WeakPolarHBondContact O-CB 3.04Å; L182-M186 WeakPolarHBondContact O-CG 3.3Å; L182-M186 PolarHBondContact O-N 3.47Å; C184-M186 VanDerWaalsContact C-N 3.34Å; C184-M186 PolarHBondContact O-N 3.29Å; M186-G188 PolarHBondContact O-N 3.03Å; M186-Y189 WeakPolarHBondContact O-CB 3.47Å; M186-Y189 PolarHBondContact O-N 3.16Å; M186-F190 HydrophobicContact CB-CD2 4.31Å; M186-F190 HydrophobicContact CB-CE2 4.23Å; M186-F190 WeakPolarHBondContact O-CD2 3.43Å; M186-F190 PolarHBondContact O-N 3.27Å |
| 187 | L | 93.1 | Very high | 91.7 | Very high | 15 Ų | 15 | 26.4 Ų | 26.4 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.1 | -53.2 | 176.1 | 177.1 | 61.7 | 0 | 0 | 0 | 111.2 | F32 I34 I127 D183 C184 Y189 F190 Q191 | F32-L187 HydrophobicContact CB-CD1 3.97Å; F32-L187 HydrophobicContact CD1-CD1 4.13Å; F32-L187 HydrophobicContact CD1-CD2 4.25Å; I34-L187 HydrophobicContact CD1-CB 4.31Å; I34-L187 HydrophobicContact CD1-CD2 3.97Å; I34-L187 HydrophobicContact CG1-CD2 3.65Å; I127-L187 HydrophobicContact CD1-CD2 3.93Å; I127-L187 HydrophobicContact CG1-CD2 4.28Å; D183-L187 VanDerWaalsContact O-CB 3.27Å; D183-L187 WeakPolarHBondContact O-CB 3.39Å; D183-L187 PolarHBondContact O-N 2.71Å; C184-L187 PolarHBondContact O-N 3.23Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-Y189 PolarHBondContact O-N 3.31Å; L187-F190 PolarHBondContact O-N 3.01Å; L187-Q191 HydrophobicContact CD1-CG 4.09Å; L187-Q191 HydrophobicContact CG-CG 4.44Å; L187-Q191 WeakPolarHBondContact O-CB 3.3Å; L187-Q191 VanDerWaalsContact O-CG 3.29Å; L187-Q191 WeakPolarHBondContact O-CG 3.41Å; L187-Q191 PolarHBondContact O-N 3.42Å |
| 188 | G | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | I127 A131 C184 M186 Q192 | I127-G188 WeakPolarHBondContact O-CA 3.42Å; A131-G188 VanDerWaalsContact CA-O 3.31Å; A131-G188 WeakPolarHBondContact CA-O 3.18Å; A131-G188 WeakPolarHBondContact CB-O 3.13Å; C184-G188 PolarHBondContact O-N 2.88Å; M186-G188 PolarHBondContact O-N 3.03Å; G188-Q192 WeakPolarHBondContact O-CB 3.31Å; G188-Q192 PolarHBondContact O-N 3.09Å |
| 189 | Y | 95.1 | Very high | 90.1 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 175.6 | 178.5 | -85.5 | 0 | 0 | 0 | 112.3 | W134 T137 F141 P143 W146 V185 M186 L187 Q192 M193 | W134-Y189 HydrophobicContact CB-CD2 3.81Å; W134-Y189 HydrophobicContact CB-CE2 4.01Å; W134-Y189 HydrophobicContact CB-CG 4.39Å; W134-Y189 AromaticContact CD1-CZ 3.9Å; W134-Y189 HydrophobicContact CG-CE2 4.4Å; T137-Y189 HydrophobicContact CG2-CE2 3.82Å; T137-Y189 WeakPolarHBondContact CG2-OH 3.31Å; F141-Y189 AromaticContact CD1-CE2 3.87Å; F141-Y189 HydrophobicContact CD1-CE2 3.87Å; F141-Y189 HydrophobicContact CE1-CD2 4.17Å; F141-Y189 AromaticContact CE1-CE2 3.9Å; F141-Y189 HydrophobicContact CE1-CE2 3.9Å; P143-Y189 HydrophobicContact CG-CD1 3.92Å; P143-Y189 HydrophobicContact CG-CE1 3.51Å; P143-Y189 HydrophobicContact CG-CE2 4.24Å; P143-Y189 HydrophobicContact CG-CG 4.46Å; W146-Y189 AromaticContact CH2-CD2 3.96Å; W146-Y189 HydrophobicContact CH2-CD2 3.96Å; W146-Y189 HydrophobicContact CH2-CG 4.17Å; W146-Y189 HydrophobicContact CZ3-CD2 4.21Å; W146-Y189 HydrophobicContact CZ3-CG 4.13Å; V185-Y189 VanDerWaalsContact O-CB 3.3Å; V185-Y189 WeakPolarHBondContact O-CB 3.46Å; V185-Y189 PolarHBondContact O-N 3.14Å; V185-Y189 VanDerWaalsContact O-N 3.08Å; M186-Y189 WeakPolarHBondContact O-CB 3.47Å; M186-Y189 PolarHBondContact O-N 3.16Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-Y189 PolarHBondContact O-N 3.31Å; Y189-Q192 PolarHBondContact O-N 3.44Å; Y189-M193 WeakPolarHBondContact O-CB 3.36Å; Y189-M193 PolarHBondContact O-N 2.77Å |
| 190 | F | 93.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.022 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.9 | -33.3 | -177.7 | -71 | -62.7 | 0 | 0 | 0 | 112.7 | I19 M22 E23 P143 M186 L187 M193 N194 | I19-F190 HydrophobicContact CG2-CE2 4.3Å; I19-F190 HydrophobicContact CG2-CZ 3.71Å; M22-F190 HydrophobicContact CB-CD2 3.77Å; M22-F190 HydrophobicContact CB-CE2 3.7Å; E23-F190 HydrophobicContact CB-CD1 4.07Å; E23-F190 HydrophobicContact CB-CE1 3.61Å; E23-F190 HydrophobicContact CB-CE2 4.24Å; E23-F190 HydrophobicContact CB-CZ 3.7Å; E23-F190 HydrophobicContact CG-CD1 4.04Å; E23-F190 HydrophobicContact CG-CE1 3.71Å; E23-F190 HydrophobicContact CG-CZ 4.3Å; P143-F190 HydrophobicContact CG-CZ 4.35Å; M186-F190 HydrophobicContact CB-CD2 4.31Å; M186-F190 HydrophobicContact CB-CE2 4.23Å; M186-F190 WeakPolarHBondContact O-CD2 3.43Å; M186-F190 PolarHBondContact O-N 3.27Å; L187-F190 PolarHBondContact O-N 3.01Å; F190-M193 HydrophobicContact CD1-SD 4.19Å; F190-M193 HydrophobicContact CE1-SD 4.47Å; F190-M193 WeakPolarHBondContact O-CB 3.43Å; F190-M193 PolarHBondContact O-N 3.46Å; F190-N194 WeakPolarHBondContact O-CB 3.27Å; F190-N194 PolarHBondContact O-N 3.19Å; F190-N194 PolarHBondContact O-ND2 2.96Å |
| 191 | Q | 91.4 | Very high | 88.7 | Confident | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.3 | -51.2 | 169.1 | -77 | 175.2 | -21.1 | 0 | 0 | 110.8 | L187 M193 N194 E195 | L187-Q191 HydrophobicContact CD1-CG 4.09Å; L187-Q191 HydrophobicContact CG-CG 4.44Å; L187-Q191 WeakPolarHBondContact O-CB 3.3Å; L187-Q191 VanDerWaalsContact O-CG 3.29Å; L187-Q191 WeakPolarHBondContact O-CG 3.41Å; L187-Q191 PolarHBondContact O-N 3.42Å; Q191-M193 VanDerWaalsContact C-N 3.31Å; Q191-M193 PolarHBondContact O-N 2.9Å; Q191-N194 PolarHBondContact O-N 3.36Å; Q191-E195 WeakPolarHBondContact O-CG 3.46Å; Q191-E195 PolarHBondContact O-N 2.68Å |
| 192 | Q | 91.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 178.6 | -172.5 | 63.3 | 83.9 | 0 | 0 | 112.2 | A131 W134 F135 G188 Y189 E195 V196 | A131-Q192 HydrophobicContact CB-CB 3.91Å; A131-Q192 HydrophobicContact CB-CG 4.39Å; W134-Q192 HydrophobicContact CB-CB 4.02Å; W134-Q192 HydrophobicContact CB-CG 3.96Å; W134-Q192 HydrophobicContact CD2-CG 3.93Å; W134-Q192 HydrophobicContact CE3-CG 3.64Å; W134-Q192 HydrophobicContact CG-CB 4.22Å; W134-Q192 HydrophobicContact CG-CG 4.07Å; W134-Q192 HydrophobicContact CZ3-CG 4.5Å; F135-Q192 HydrophobicContact CE2-CG 4.46Å; F135-Q192 HydrophobicContact CZ-CG 4.24Å; G188-Q192 WeakPolarHBondContact O-CB 3.31Å; G188-Q192 PolarHBondContact O-N 3.09Å; Y189-Q192 PolarHBondContact O-N 3.44Å; Q192-E195 PolarHBondContact NE2-OE2 3.43Å; Q192-E195 PolarHBondContact O-N 3.16Å; Q192-V196 WeakPolarHBondContact O-CG2 3.5Å; Q192-V196 PolarHBondContact O-N 3.28Å; Q192-V196 VanDerWaalsContact O-N 3.14Å |
| 193 | M | 90 | Very high | 86.7 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -49.4 | 174.6 | -175.4 | 175.1 | 114.7 | 0 | 0 | 111.5 | W134 Y189 F190 Q191 V196 V197 | W134-M193 HydrophobicContact CG-CB 4.46Å; W134-M193 VanDerWaalsContact NE1-CA 3.34Å; Y189-M193 WeakPolarHBondContact O-CB 3.36Å; Y189-M193 PolarHBondContact O-N 2.77Å; F190-M193 HydrophobicContact CD1-SD 4.19Å; F190-M193 HydrophobicContact CE1-SD 4.47Å; F190-M193 WeakPolarHBondContact O-CB 3.43Å; F190-M193 PolarHBondContact O-N 3.46Å; Q191-M193 VanDerWaalsContact C-N 3.31Å; Q191-M193 PolarHBondContact O-N 2.9Å; M193-V196 PolarHBondContact O-N 3.42Å; M193-V197 VanDerWaalsContact O-CG2 3.31Å; M193-V197 WeakPolarHBondContact O-CG2 3.42Å; M193-V197 PolarHBondContact O-N 2.86Å |
| 194 | N | 87.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -177.9 | -72.6 | -20.8 | 0 | 0 | 0 | 112 | S26 F190 Q191 V196 V197 V198 | S26-N194 WeakPolarHBondContact CB-ND2 3.25Å; S26-N194 PolarHBondContact O-ND2 2.97Å; S26-N194 PolarHBondContact OG-ND2 3.02Å; F190-N194 WeakPolarHBondContact O-CB 3.27Å; F190-N194 PolarHBondContact O-N 3.19Å; F190-N194 PolarHBondContact O-ND2 2.96Å; Q191-N194 PolarHBondContact O-N 3.36Å; N194-V196 VanDerWaalsContact C-N 3.32Å; N194-V196 PolarHBondContact O-N 2.91Å; N194-V197 PolarHBondContact O-N 3.4Å; N194-V198 VanDerWaalsContact O-CG2 3.28Å; N194-V198 WeakPolarHBondContact O-CG2 3.48Å; N194-V198 PolarHBondContact O-N 3.36Å |
| 195 | E | 85.7 | Confident | 84.4 | Confident | 103 Ų | 103 | 53.9 Ų | 53.9 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 172.5 | -75.1 | 175 | -175.2 | 0 | 0 | 112.1 | Q191 Q192 V198 D199 L202 | Q191-E195 WeakPolarHBondContact O-CG 3.46Å; Q191-E195 PolarHBondContact O-N 2.68Å; Q192-E195 PolarHBondContact NE2-OE2 3.43Å; Q192-E195 PolarHBondContact O-N 3.16Å; E195-V198 PolarHBondContact O-N 3.02Å; E195-D199 PolarHBondContact O-N 2.87Å; E195-L202 HydrophobicContact CB-CD1 4.36Å |
| 196 | V | 81.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.1 | -29.2 | 178.9 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | W134 Q192 M193 N194 V198 D199 P200 L202 L203 | W134-V196 HydrophobicContact CE3-CG2 4.19Å; W134-V196 HydrophobicContact CH2-CB 3.49Å; W134-V196 VanDerWaalsContact CH2-CB 3.49Å; W134-V196 HydrophobicContact CH2-CG1 3.52Å; W134-V196 HydrophobicContact CH2-CG2 3.34Å; W134-V196 HydrophobicContact CZ2-CB 3.81Å; W134-V196 HydrophobicContact CZ2-CG1 4.06Å; W134-V196 HydrophobicContact CZ2-CG2 4Å; W134-V196 HydrophobicContact CZ3-CB 4.13Å; W134-V196 HydrophobicContact CZ3-CG1 4.37Å; W134-V196 HydrophobicContact CZ3-CG2 3.43Å; W134-V196 VanDerWaalsContact CZ3-CG2 3.43Å; Q192-V196 WeakPolarHBondContact O-CG2 3.5Å; Q192-V196 PolarHBondContact O-N 3.28Å; Q192-V196 VanDerWaalsContact O-N 3.14Å; M193-V196 PolarHBondContact O-N 3.42Å; N194-V196 VanDerWaalsContact C-N 3.32Å; N194-V196 PolarHBondContact O-N 2.91Å; V196-V198 VanDerWaalsContact C-N 3.27Å; V196-V198 PolarHBondContact O-N 3.49Å; V196-D199 CarbonylContact O-C 3.6Å; V196-P200 WeakPolarHBondContact O-CA 3.29Å; V196-P200 VanDerWaalsContact O-N 3.14Å; V196-L202 HydrophobicContact CG2-CB 3.87Å; V196-L203 HydrophobicContact CG1-CD2 3.74Å; V196-L203 HydrophobicContact CG1-CG 3.62Å |
| 197 | V | 77.9 | Confident | 81.1 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63 | -38.7 | 170.4 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | M193 N194 | M193-V197 VanDerWaalsContact O-CG2 3.31Å; M193-V197 WeakPolarHBondContact O-CG2 3.42Å; M193-V197 PolarHBondContact O-N 2.86Å; N194-V197 PolarHBondContact O-N 3.4Å |
| 198 | V | 76.9 | Confident | 78.7 | Confident | 125 Ų | 125 | 80.2 Ų | 80.2 | 76% | 0.758 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -74 | -42.3 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | N194 E195 V196 | N194-V198 VanDerWaalsContact O-CG2 3.28Å; N194-V198 WeakPolarHBondContact O-CG2 3.48Å; N194-V198 PolarHBondContact O-N 3.36Å; E195-V198 PolarHBondContact O-N 3.02Å; V196-V198 VanDerWaalsContact C-N 3.27Å; V196-V198 PolarHBondContact O-N 3.49Å |
| 199 | D | 80.5 | Confident | 76.5 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | trans | -127.7 | 92.8 | 175.9 | -174 | 2.5 | 0 | 0 | 0 | 111.7 | E195 V196 A201 L202 | E195-D199 PolarHBondContact O-N 2.87Å; V196-D199 CarbonylContact O-C 3.6Å; D199-A201 PolarHBondContact O-N 2.73Å; D199-A201 WeakPolarHBondContact OD1-CB 3.35Å; D199-A201 PolarHBondContact OD1-N 2.84Å; D199-L202 HydrophobicContact CB-CD1 4.08Å; D199-L202 HydrophobicContact CB-CG 4.16Å; D199-L202 WeakPolarHBondContact O-CB 3.42Å; D199-L202 PolarHBondContact O-N 3.33Å | ||
| 200 | P | 78.5 | Confident | 73.8 | Confident | 81 Ų | 81 | 93.3 Ų | 93.3 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -60.6 | -15.7 | 177.6 | -25.7 | 35.2 | 0 | 0 | 0 | 114.5 | V196 L202 L203 | V196-P200 WeakPolarHBondContact O-CA 3.29Å; V196-P200 VanDerWaalsContact O-N 3.14Å; P200-L202 PolarHBondContact O-N 2.95Å; P200-L203 HydrophobicContact CB-CD1 4.49Å; P200-L203 WeakPolarHBondContact O-CB 3.31Å; P200-L203 WeakPolarHBondContact O-CD1 3.19Å; P200-L203 WeakPolarHBondContact O-CG 3.32Å; P200-L203 PolarHBondContact O-N 3.11Å; P200-L203 VanDerWaalsContact O-N 3.14Å |
| 201 | A | 80.1 | Confident | 72.8 | Confident | 85 Ų | 85 | 97.8 Ų | 97.8 | 70% | 0.702 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -66.8 | -17.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D199 L203 | D199-A201 PolarHBondContact O-N 2.73Å; D199-A201 WeakPolarHBondContact OD1-CB 3.35Å; D199-A201 PolarHBondContact OD1-N 2.84Å; A201-L203 PolarHBondContact O-N 3.16Å |
| 202 | L | 74.6 | Confident | 71.8 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.435 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -77.4 | -3.2 | 173.9 | -61.6 | 176.8 | 0 | 0 | 0 | 113.5 | E195 V196 D199 P200 | E195-L202 HydrophobicContact CB-CD1 4.36Å; V196-L202 HydrophobicContact CG2-CB 3.87Å; D199-L202 HydrophobicContact CB-CD1 4.08Å; D199-L202 HydrophobicContact CB-CG 4.16Å; D199-L202 WeakPolarHBondContact O-CB 3.42Å; D199-L202 PolarHBondContact O-N 3.33Å; P200-L202 PolarHBondContact O-N 2.95Å |
| 203 | L | 72.6 | Confident | 70.7 | Confident | 86 Ų | 86 | 102.6 Ų | 102.6 | 45% | 0.45 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -58.6 | 130.3 | 172.9 | -79.6 | 167.4 | 0 | 0 | 0 | 110.2 | W134 V196 P200 A201 | W134-L203 HydrophobicContact CH2-CD2 3.88Å; V196-L203 HydrophobicContact CG1-CD2 3.74Å; V196-L203 HydrophobicContact CG1-CG 3.62Å; P200-L203 HydrophobicContact CB-CD1 4.49Å; P200-L203 WeakPolarHBondContact O-CB 3.31Å; P200-L203 WeakPolarHBondContact O-CD1 3.19Å; P200-L203 WeakPolarHBondContact O-CG 3.32Å; P200-L203 PolarHBondContact O-N 3.11Å; P200-L203 VanDerWaalsContact O-N 3.14Å; A201-L203 PolarHBondContact O-N 3.16Å |
| 204 | P | 67.7 | Low | 69.6 | Low | 34 Ų | 34 | 106.1 Ų | 106.1 | 22% | 0.221 | 61% | 0.606 | C | S | . | * | P | Polyproline II helix | trans | -63.5 | 146.5 | 172.1 | 30.8 | -36.5 | 0 | 0 | 0 | 108.8 | F135 K206 | F135-P204 HydrophobicContact CD1-CB 4.17Å; F135-P204 HydrophobicContact CD1-CG 3.63Å; F135-P204 HydrophobicContact CE1-CG 4.31Å; P204-K206 PolarHBondContact O-N 3.14Å |
| 205 | P | 70.1 | Confident | 68.5 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.6 | 175.7 | 23.6 | -32.8 | 0 | 0 | 0 | 109.1 | R207 | P205-R207 PolarHBondContact O-N 2.57Š|
| 206 | K | 64.4 | Low | 67.3 | Low | 189 Ų | 189 | 110.5 Ų | 110.5 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -53.4 | 114 | 173.3 | -75.5 | -175.7 | 178.8 | 178.8 | 0 | 107.2 | P204 E208 | P204-K206 PolarHBondContact O-N 3.14Å; K206-E208 PolarHBondContact O-N 2.98Å | ||
| 207 | R | 57.1 | Low | 66.3 | Low | 199 Ų | 199 | 117.9 Ų | 117.9 | 75% | 0.751 | 68% | 0.682 | S | S | * | * | trans | -68.3 | 104 | 171.5 | -77.5 | -173.7 | -177.9 | -163.8 | 5.3 | 106.9 | P205 S209 | P205-R207 PolarHBondContact O-N 2.57Å; R207-S209 PolarHBondContact O-N 3.04Å | ||
| 208 | E | 43.1 | Very low | 65.4 | Low | 184 Ų | 184 | 118.9 Ų | 118.9 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -53.3 | 122.9 | 165.2 | -67.4 | 179.9 | 171.2 | 0 | 0 | 107.4 | K206 A210 | K206-E208 PolarHBondContact O-N 2.98Å; E208-A210 PolarHBondContact O-N 3.24Å | ||
| 209 | S | 47.8 | Very low | 64.5 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 84% | 0.839 | 68% | 0.68 | S | S | * | * | trans | -62 | 106.5 | 175.5 | 44.9 | 0 | 0 | 0 | 0 | 108.4 | R207 | R207-S209 PolarHBondContact O-N 3.04Š| ||
| 210 | A | 37.2 | Very low | 63 | Low | 172 Ų | 172 | 122.3 Ų | 122.3 | 100% | 1.421 | 71% | 0.705 | S | S | * | * | trans | -76.9 | 0 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | E208 | E208-A210 PolarHBondContact O-N 3.24Š|
Retrieved 210 of 210 residues in 171.5 ms
(Link to these results)