| 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 | 33.2 | Very low | 63.9 | Low | 231 Ų | 231 | 86.5 Ų | 86.5 | 100% | 1.138 | 51% | 0.507 | S | S | * | . | 0 | 142 | 0 | -68.9 | 172.2 | 176.3 | 0 | 0 | 106.9 | C3 | M1-C3 PolarHBondContact O-N 3.4Š| |||
| 2 | T | 43.1 | Very low | 64.1 | Low | 132 Ų | 132 | 81.6 Ų | 81.6 | 81% | 0.81 | 49% | 0.488 | S | S | * | . | trans | -74.3 | 104.8 | 177.2 | 45 | 0 | 0 | 0 | 0 | 109.9 | C4 | T2-C4 VanDerWaalsContact C-N 3.3Å; T2-C4 PolarHBondContact O-N 2.79Å | ||
| 3 | C | 52.2 | Low | 65.3 | Low | 78 Ų | 78 | 78.5 Ų | 78.5 | 53% | 0.527 | 48% | 0.484 | S | S | . | . | trans | -74.5 | 81.6 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | M1 L5 I27 | M1-C3 PolarHBondContact O-N 3.4Å; C3-L5 PolarHBondContact O-N 3.22Å; C3-I27 HydrophobicContact CB-CG2 3.8Å | ||
| 4 | C | 63.9 | Low | 66.7 | Low | 93 Ų | 93 | 77.4 Ų | 77.4 | 63% | 0.628 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 128 | 174 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | T2 | T2-C4 VanDerWaalsContact C-N 3.3Å; T2-C4 PolarHBondContact O-N 2.79Å |
| 5 | L | 72 | Confident | 68 | Low | 22 Ų | 22 | 83.1 Ų | 83.1 | 12% | 0.115 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 147.3 | 175.2 | -64.3 | 176.1 | 0 | 0 | 0 | 110.4 | C3 D7 A24 I27 L28 Y41 F44 | C3-L5 PolarHBondContact O-N 3.22Å; L5-D7 PolarHBondContact O-N 2.98Å; L5-A24 HydrophobicContact CD2-CB 4.49Å; L5-I27 HydrophobicContact CD2-CB 4Å; L5-I27 HydrophobicContact CD2-CD1 4.31Å; L5-I27 HydrophobicContact CD2-CG2 3.7Å; L5-L28 HydrophobicContact CD1-CD2 4.1Å; L5-L28 HydrophobicContact CD1-CG 4.45Å; L5-L28 HydrophobicContact CD2-CD2 4.25Å; L5-L28 HydrophobicContact CD2-CG 3.98Å; L5-Y41 HydrophobicContact CD1-CD1 3.46Å; L5-Y41 VanDerWaalsContact CD1-CD1 3.46Å; L5-Y41 HydrophobicContact CD1-CE1 3.9Å; L5-Y41 HydrophobicContact CD1-CG 4.28Å; L5-Y41 HydrophobicContact CG-CD1 4.05Å; L5-Y41 HydrophobicContact CG-CE1 4.08Å; L5-F44 HydrophobicContact CB-CB 4.37Å; L5-F44 HydrophobicContact CB-CD2 3.76Å; L5-F44 HydrophobicContact CB-CE2 4.24Å; L5-F44 HydrophobicContact CB-CG 4.06Å; L5-F44 HydrophobicContact CD1-CB 3.84Å; L5-F44 HydrophobicContact CD1-CD1 3.59Å; L5-F44 HydrophobicContact CD1-CD2 4.06Å; L5-F44 HydrophobicContact CD1-CE1 4.15Å; L5-F44 HydrophobicContact CD1-CG 3.55Å; L5-F44 HydrophobicContact CG-CG 4.44Å |
| 6 | P | 71.7 | Confident | 69.1 | Low | 22 Ų | 22 | 86.7 Ų | 86.7 | 14% | 0.143 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 128.1 | 179.9 | 28.5 | -33.8 | 0 | 0 | 0 | 111.6 | L8 Q20 A24 | P6-L8 PolarHBondContact O-N 2.79Å; P6-Q20 HydrophobicContact CB-CG 4.49Å; P6-Q20 HydrophobicContact CG-CB 4.46Å; P6-Q20 WeakPolarHBondContact CG-O 3.32Å; P6-A24 HydrophobicContact CG-CB 4.04Å |
| 7 | D | 73.2 | Confident | 70.2 | Confident | 126 Ų | 126 | 81.7 Ų | 81.7 | 67% | 0.674 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -56 | 121.8 | 170.9 | -73.1 | -45.6 | 0 | 0 | 0 | 111 | L5 V9 Q20 | L5-D7 PolarHBondContact O-N 2.98Å; D7-V9 PolarHBondContact O-N 2.69Å; D7-V9 VanDerWaalsContact O-N 3.1Å; D7-Q20 PolarHBondContact O-NE2 3.3Å |
| 8 | L | 76.4 | Confident | 71.3 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 9% | 0.094 | 45% | 0.448 | C | S | . | . | trans | -77.9 | 97.3 | -174 | -65.3 | 173.6 | 0 | 0 | 0 | 110.9 | P6 L10 L17 Q20 L21 F44 L48 L53 | P6-L8 PolarHBondContact O-N 2.79Å; L8-L10 PolarHBondContact O-N 2.66Å; L8-L10 VanDerWaalsContact O-N 3.16Å; L8-L17 HydrophobicContact CD2-CD1 4.3Å; L8-Q20 HydrophobicContact CD2-CB 4.28Å; L8-L21 HydrophobicContact CD1-CD2 4.21Å; L8-L21 HydrophobicContact CD2-CD2 3.69Å; L8-L21 HydrophobicContact CD2-CG 4.03Å; L8-F44 HydrophobicContact CD1-CD2 4.18Å; L8-F44 HydrophobicContact CD1-CE2 3.68Å; L8-F44 HydrophobicContact CD1-CZ 4.01Å; L8-F44 HydrophobicContact CD2-CE2 3.96Å; L8-F44 HydrophobicContact CG-CD2 4.21Å; L8-F44 HydrophobicContact CG-CE2 3.72Å; L8-F44 HydrophobicContact CG-CZ 4.46Å; L8-L48 HydrophobicContact CD1-CD1 4.22Å; L8-L53 HydrophobicContact CD1-CD1 3.81Å | ||
| 9 | V | 74.1 | Confident | 72.2 | Confident | 53 Ų | 53 | 78.9 Ų | 78.9 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | trans | -87.9 | 88.6 | -176.8 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | D7 S11 G12 | D7-V9 PolarHBondContact O-N 2.69Å; D7-V9 VanDerWaalsContact O-N 3.1Å; V9-S11 PolarHBondContact O-N 3.19Å; V9-G12 PolarHBondContact O-N 2.77Å | ||
| 10 | L | 71.9 | Confident | 73 | Confident | 63 Ų | 63 | 76.4 Ų | 76.4 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -57.8 | -31.7 | -174.6 | -55.1 | 179 | 0 | 0 | 0 | 113.6 | L8 G12 L17 E52 L53 | L8-L10 PolarHBondContact O-N 2.66Å; L8-L10 VanDerWaalsContact O-N 3.16Å; L10-G12 VanDerWaalsContact C-N 3.28Å; L10-G12 PolarHBondContact O-N 3.32Å; L10-L17 HydrophobicContact CD2-CD1 4.22Å; L10-L17 HydrophobicContact CD2-CD2 4.42Å; L10-E52 HydrophobicContact CD1-CB 4.07Å; L10-E52 WeakPolarHBondContact CD1-OE2 3.4Å; L10-L53 HydrophobicContact CD2-CD1 4.07Å; L10-L53 HydrophobicContact CD2-CD2 3.55Å; L10-L53 HydrophobicContact CD2-CG 3.68Å |
| 11 | S | 71.8 | Confident | 73.9 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 80% | 0.797 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -75.9 | -7.6 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | V9 G13 | V9-S11 PolarHBondContact O-N 3.19Å; S11-G13 PolarHBondContact O-N 3.2Å |
| 12 | G | 66.2 | Low | 76.6 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -75.4 | -0.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | V9 L10 R16 | V9-G12 PolarHBondContact O-N 2.77Å; L10-G12 VanDerWaalsContact C-N 3.28Å; L10-G12 PolarHBondContact O-N 3.32Å; G12-R16 WeakPolarHBondContact O-CB 3.17Å |
| 13 | G | 79.4 | Confident | 78.7 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | trans | 84.3 | 146.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S11 K15 R16 L17 | S11-G13 PolarHBondContact O-N 3.2Å; G13-K15 VanDerWaalsContact C-N 3.28Å; G13-K15 PolarHBondContact O-N 2.78Å; G13-K15 VanDerWaalsContact O-N 3.08Å; G13-R16 PolarHBondContact O-N 3.47Å; G13-R16 VanDerWaalsContact O-N 3.08Å; G13-L17 PolarHBondContact O-N 3.1Å; G13-L17 VanDerWaalsContact O-N 3.15Å | ||
| 14 | V | 85.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54 | -37.9 | -166.2 | -177 | 0 | 0 | 0 | 0 | 113.9 | I18 V61 | V14-I18 HydrophobicContact CG1-CD1 3.98Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.9Å; V14-V61 HydrophobicContact CG1-CG2 4.04Å |
| 15 | K | 85.3 | Confident | 81.6 | Confident | 162 Ų | 162 | 56.9 Ų | 56.9 | 70% | 0.704 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.4 | -49.7 | 179 | -172.9 | -176.8 | 175 | -173.4 | 0 | 111.8 | G13 L17 I18 D19 | G13-K15 VanDerWaalsContact C-N 3.28Å; G13-K15 PolarHBondContact O-N 2.78Å; G13-K15 VanDerWaalsContact O-N 3.08Å; K15-L17 VanDerWaalsContact C-N 3.26Å; K15-L17 PolarHBondContact O-N 2.85Å; K15-I18 WeakPolarHBondContact O-CB 3.34Å; K15-I18 PolarHBondContact O-N 2.76Å; K15-I18 VanDerWaalsContact O-N 3.14Å; K15-D19 VanDerWaalsContact O-CG 3.31Å; K15-D19 PolarHBondContact O-N 3.16Å |
| 16 | R | 86.1 | Confident | 82.4 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 53% | 0.532 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 178.7 | -177.6 | 176.7 | 175.5 | 174 | -0 | 111.2 | G12 G13 D19 Q20 | G12-R16 WeakPolarHBondContact O-CB 3.17Å; G13-R16 PolarHBondContact O-N 3.47Å; G13-R16 VanDerWaalsContact O-N 3.08Å; R16-D19 PolarHBondContact O-N 3.47Å; R16-Q20 WeakPolarHBondContact O-CG 3.47Å; R16-Q20 PolarHBondContact O-N 3.03Å |
| 17 | L | 88.2 | Confident | 83 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 177.1 | -174.3 | 60.5 | 0 | 0 | 0 | 112.6 | L8 L10 G13 K15 L21 L53 V61 | L8-L17 HydrophobicContact CD2-CD1 4.3Å; L10-L17 HydrophobicContact CD2-CD1 4.22Å; L10-L17 HydrophobicContact CD2-CD2 4.42Å; G13-L17 PolarHBondContact O-N 3.1Å; G13-L17 VanDerWaalsContact O-N 3.15Å; K15-L17 VanDerWaalsContact C-N 3.26Å; K15-L17 PolarHBondContact O-N 2.85Å; L17-L21 HydrophobicContact CD1-CD1 4.39Å; L17-L21 HydrophobicContact CG-CD1 4.18Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.11Å; L17-L53 HydrophobicContact CD1-CD2 4.16Å; L17-L53 HydrophobicContact CD2-CD2 3.81Å; L17-L53 HydrophobicContact CG-CD2 4.35Å; L17-V61 HydrophobicContact CD2-CG1 3.88Å; L17-V61 HydrophobicContact CD2-CG2 4.3Å; L17-V61 HydrophobicContact CG-CG1 4.33Å |
| 18 | I | 88.8 | Confident | 83.6 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 171.3 | -74.5 | 166.9 | 0 | 0 | 0 | 110.8 | V14 K15 Q20 L21 K22 Q60 V61 L64 | V14-I18 HydrophobicContact CG1-CD1 3.98Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 2.9Å; K15-I18 WeakPolarHBondContact O-CB 3.34Å; K15-I18 PolarHBondContact O-N 2.76Å; K15-I18 VanDerWaalsContact O-N 3.14Å; I18-Q20 PolarHBondContact O-N 3.29Å; I18-L21 PolarHBondContact O-N 3.39Å; I18-K22 HydrophobicContact CG2-CD 4.27Å; I18-K22 WeakPolarHBondContact O-CG 3.43Å; I18-K22 PolarHBondContact O-N 3Å; I18-Q60 HydrophobicContact CD1-CB 3.89Å; I18-Q60 HydrophobicContact CD1-CG 4.26Å; I18-Q60 HydrophobicContact CG1-CB 4.3Å; I18-Q60 HydrophobicContact CG1-CG 4.46Å; I18-V61 HydrophobicContact CD1-CG2 4.29Å; I18-V61 HydrophobicContact CG1-CG2 3.69Å; I18-L64 HydrophobicContact CB-CD1 4.38Å; I18-L64 HydrophobicContact CG1-CD1 4.44Å; I18-L64 HydrophobicContact CG2-CD1 3.83Å |
| 19 | D | 88.4 | Confident | 84 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | -178.6 | -61.2 | -29.6 | 0 | 0 | 0 | 111.4 | K15 R16 N23 | K15-D19 VanDerWaalsContact O-CG 3.31Å; K15-D19 PolarHBondContact O-N 3.16Å; R16-D19 PolarHBondContact O-N 3.47Å; D19-N23 PolarHBondContact O-N 3.08Å |
| 20 | Q | 89.5 | Confident | 84.4 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 171.6 | -73.6 | -173.6 | -55 | 0 | 0 | 112.7 | P6 D7 L8 R16 I18 K22 N23 A24 | P6-Q20 HydrophobicContact CB-CG 4.49Å; P6-Q20 HydrophobicContact CG-CB 4.46Å; P6-Q20 WeakPolarHBondContact CG-O 3.32Å; D7-Q20 PolarHBondContact O-NE2 3.3Å; L8-Q20 HydrophobicContact CD2-CB 4.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.47Å; R16-Q20 PolarHBondContact O-N 3.03Å; I18-Q20 PolarHBondContact O-N 3.29Å; Q20-K22 VanDerWaalsContact C-N 3.32Å; Q20-K22 PolarHBondContact O-N 3.12Å; Q20-N23 PolarHBondContact O-N 2.92Å; Q20-A24 PolarHBondContact O-N 2.96Å |
| 21 | L | 90.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -30.1 | 179.3 | -72.3 | 166.8 | 0 | 0 | 0 | 112.7 | L8 L17 I18 K25 L48 V61 L64 A65 C68 | L8-L21 HydrophobicContact CD1-CD2 4.21Å; L8-L21 HydrophobicContact CD2-CD2 3.69Å; L8-L21 HydrophobicContact CD2-CG 4.03Å; L17-L21 HydrophobicContact CD1-CD1 4.39Å; L17-L21 HydrophobicContact CG-CD1 4.18Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.11Å; I18-L21 PolarHBondContact O-N 3.39Å; L21-K25 WeakPolarHBondContact O-CB 3.41Å; L21-K25 PolarHBondContact O-N 3.02Å; L21-L48 HydrophobicContact CD2-CD1 4.02Å; L21-V61 HydrophobicContact CD1-CG1 3.85Å; L21-L64 HydrophobicContact CB-CB 3.84Å; L21-L64 HydrophobicContact CB-CD1 4.47Å; L21-L64 HydrophobicContact CD1-CB 4.39Å; L21-A65 HydrophobicContact CD1-CB 4.5Å; L21-A65 HydrophobicContact CD2-CB 4.5Å; L21-C68 PolarHBondContact O-SG 3.29Å |
| 22 | K | 89.6 | Confident | 84.4 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 171 | -79.3 | -179.7 | 174.8 | -172.9 | 0 | 112.1 | I18 Q20 A24 K25 E26 L64 | I18-K22 HydrophobicContact CG2-CD 4.27Å; I18-K22 WeakPolarHBondContact O-CG 3.43Å; I18-K22 PolarHBondContact O-N 3Å; Q20-K22 VanDerWaalsContact C-N 3.32Å; Q20-K22 PolarHBondContact O-N 3.12Å; K22-A24 VanDerWaalsContact C-N 3.33Å; K22-A24 PolarHBondContact O-N 3.44Å; K22-K25 WeakPolarHBondContact O-CB 3.31Å; K22-K25 PolarHBondContact O-N 2.83Å; K22-E26 WeakPolarHBondContact O-CB 3.43Å; K22-E26 PolarHBondContact O-N 3.4Å; K22-L64 HydrophobicContact CG-CD1 3.87Å; K22-L64 HydrophobicContact CG-CD2 3.8Å |
| 23 | N | 88.7 | Confident | 84.2 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.1 | -175.6 | 28 | 0 | 0 | 0 | 111.3 | D19 Q20 E26 I27 | D19-N23 PolarHBondContact O-N 3.08Å; Q20-N23 PolarHBondContact O-N 2.92Å; N23-E26 PolarHBondContact O-N 2.96Å; N23-I27 VanDerWaalsContact O-CG1 3.31Å; N23-I27 WeakPolarHBondContact O-CG1 3.33Å; N23-I27 PolarHBondContact O-N 3.16Å |
| 24 | A | 88.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L5 P6 Q20 K22 I27 L28 F44 | L5-A24 HydrophobicContact CD2-CB 4.49Å; P6-A24 HydrophobicContact CG-CB 4.04Å; Q20-A24 PolarHBondContact O-N 2.96Å; K22-A24 VanDerWaalsContact C-N 3.33Å; K22-A24 PolarHBondContact O-N 3.44Å; A24-I27 PolarHBondContact O-N 3.38Å; A24-L28 VanDerWaalsContact O-CB 3.31Å; A24-L28 WeakPolarHBondContact O-CB 3.49Å; A24-L28 VanDerWaalsContact O-CG 3.23Å; A24-L28 WeakPolarHBondContact O-CG 3.4Å; A24-L28 PolarHBondContact O-N 3.25Å; A24-F44 HydrophobicContact CB-CE1 4.46Å; A24-F44 HydrophobicContact CB-CE2 3.79Å; A24-F44 HydrophobicContact CB-CZ 3.48Å; A24-F44 VanDerWaalsContact CB-CZ 3.48Å |
| 25 | K | 88.9 | Confident | 81.8 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 173.6 | 171.1 | -179.7 | 173.1 | 163.9 | 0 | 111.8 | L21 K22 L28 S29 L64 C67 D111 Y114 | L21-K25 WeakPolarHBondContact O-CB 3.41Å; L21-K25 PolarHBondContact O-N 3.02Å; K22-K25 WeakPolarHBondContact O-CB 3.31Å; K22-K25 PolarHBondContact O-N 2.83Å; K25-L28 PolarHBondContact O-N 3.1Å; K25-S29 VanDerWaalsContact O-CB 3.26Å; K25-S29 WeakPolarHBondContact O-CB 3.3Å; K25-S29 PolarHBondContact O-N 3.31Å; K25-S29 PolarHBondContact O-OG 3.42Å; K25-L64 HydrophobicContact CD-CD2 4.06Å; K25-C67 HydrophobicContact CD-CB 3.7Å; K25-C67 HydrophobicContact CG-CB 4.1Å; K25-C67 PolarHBondContact NZ-SG 2.9Å; K25-C67 VanDerWaalsContact NZ-SG 3.45Å; K25-D111 IonicContact NZ-OD1 2.87Å; K25-D111 PolarHBondContact NZ-OD1 3.23Å; K25-Y114 HydrophobicContact CD-CD1 4.42Å; K25-Y114 HydrophobicContact CD-CE1 4.45Å; K25-Y114 HydrophobicContact CG-CE1 4.34Å |
| 26 | E | 87.7 | Confident | 80.4 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.9 | -46.7 | -179.2 | -169.6 | 167.9 | -175.2 | 0 | 0 | 111 | K22 N23 S29 | K22-E26 WeakPolarHBondContact O-CB 3.43Å; K22-E26 PolarHBondContact O-N 3.4Å; N23-E26 PolarHBondContact O-N 2.96Å; E26-S29 PolarHBondContact O-OG 2.81Å |
| 27 | I | 85.4 | Confident | 78.9 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -56.1 | 173.2 | -65.5 | 163.8 | 0 | 0 | 0 | 110.9 | C3 L5 N23 A24 S29 S30 | C3-I27 HydrophobicContact CB-CG2 3.8Å; L5-I27 HydrophobicContact CD2-CB 4Å; L5-I27 HydrophobicContact CD2-CD1 4.31Å; L5-I27 HydrophobicContact CD2-CG2 3.7Å; N23-I27 VanDerWaalsContact O-CG1 3.31Å; N23-I27 WeakPolarHBondContact O-CG1 3.33Å; N23-I27 PolarHBondContact O-N 3.16Å; A24-I27 PolarHBondContact O-N 3.38Å; I27-S29 VanDerWaalsContact C-N 3.31Å; I27-S29 PolarHBondContact O-N 3.16Å; I27-S30 PolarHBondContact O-N 2.68Å; I27-S30 VanDerWaalsContact O-N 3.07Å; I27-S30 PolarHBondContact O-OG 3.13Å |
| 28 | L | 85.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -36.2 | -176.1 | -73.4 | 168.9 | 0 | 0 | 0 | 113.2 | L5 A24 K25 S30 V31 F44 C68 D71 L72 R74 I75 | L5-L28 HydrophobicContact CD1-CD2 4.1Å; L5-L28 HydrophobicContact CD1-CG 4.45Å; L5-L28 HydrophobicContact CD2-CD2 4.25Å; L5-L28 HydrophobicContact CD2-CG 3.98Å; A24-L28 VanDerWaalsContact O-CB 3.31Å; A24-L28 WeakPolarHBondContact O-CB 3.49Å; A24-L28 VanDerWaalsContact O-CG 3.23Å; A24-L28 WeakPolarHBondContact O-CG 3.4Å; A24-L28 PolarHBondContact O-N 3.25Å; K25-L28 PolarHBondContact O-N 3.1Å; L28-S30 PolarHBondContact O-N 3.17Å; L28-V31 PolarHBondContact O-N 2.99Å; L28-F44 HydrophobicContact CD1-CE1 4.12Å; L28-C68 HydrophobicContact CD1-CB 3.82Å; L28-D71 HydrophobicContact CB-CB 3.78Å; L28-L72 HydrophobicContact CD1-CG 4.24Å; L28-L72 HydrophobicContact CD2-CD2 3.85Å; L28-L72 HydrophobicContact CD2-CG 4.29Å; L28-R74 PolarHBondContact O-NH2 3.32Å; L28-I75 HydrophobicContact CD2-CD1 4.29Å |
| 29 | S | 84.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -23.3 | 177 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | K25 E26 I27 Y114 | K25-S29 VanDerWaalsContact O-CB 3.26Å; K25-S29 WeakPolarHBondContact O-CB 3.3Å; K25-S29 PolarHBondContact O-N 3.31Å; K25-S29 PolarHBondContact O-OG 3.42Å; E26-S29 PolarHBondContact O-OG 2.81Å; I27-S29 VanDerWaalsContact C-N 3.31Å; I27-S29 PolarHBondContact O-N 3.16Å; S29-Y114 WeakPolarHBondContact CB-OH 3.38Å |
| 30 | S | 81.1 | Confident | 75.3 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 57% | 0.566 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.6 | 179.9 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | I27 L28 | I27-S30 PolarHBondContact O-N 2.68Å; I27-S30 VanDerWaalsContact O-N 3.07Å; I27-S30 PolarHBondContact O-OG 3.13Å; L28-S30 PolarHBondContact O-N 3.17Å |
| 31 | V | 77.9 | Confident | 74.8 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | trans | -85.3 | 117.6 | -177.1 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | L28 R74 I75 | L28-V31 PolarHBondContact O-N 2.99Å; V31-R74 PolarHBondContact O-NH1 3.12Å; V31-R74 PolarHBondContact O-NH2 3.38Å; V31-R74 VanDerWaalsContact O-NH2 3.13Å; V31-I75 HydrophobicContact CB-CD1 3.79Å; V31-I75 HydrophobicContact CB-CG1 4.48Å; V31-I75 HydrophobicContact CG1-CD1 3.83Å; V31-I75 HydrophobicContact CG1-CG1 4.22Å; V31-I75 HydrophobicContact CG1-CG2 4.41Å | ||
| 32 | N | 65.9 | Low | 74 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | trans | -76.7 | 150.2 | 168.6 | -66.8 | -36.2 | 0 | 0 | 0 | 110.7 | D34 E35 | N32-D34 VanDerWaalsContact C-N 3.29Å; N32-D34 PolarHBondContact O-N 2.94Å; N32-E35 PolarHBondContact O-N 3.12Å | ||
| 33 | E | 62.8 | Low | 73.5 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -59.8 | -38 | -175.5 | -74 | 155.2 | -146.3 | 0 | 0 | 112.5 | E35 S36 R74 | E33-E35 PolarHBondContact O-N 3.29Å; E33-S36 PolarHBondContact O-OG 3.42Å; E33-S36 VanDerWaalsContact O-OG 3.12Å; E33-R74 WeakPolarHBondContact OE1-CG 3.5Å; E33-R74 IonicContact OE1-NH1 2.66Å |
| 34 | D | 58.6 | Low | 73.3 | Confident | 166 Ų | 166 | 68 Ų | 68 | 89% | 0.888 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -69.6 | -17.1 | -176.5 | -61.7 | -54.3 | 0 | 0 | 0 | 115.9 | N32 | N32-D34 VanDerWaalsContact C-N 3.29Å; N32-D34 PolarHBondContact O-N 2.94Å |
| 35 | E | 54.7 | Low | 73 | Confident | 158 Ų | 158 | 68 Ų | 68 | 74% | 0.738 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -99.6 | 1.6 | -174.2 | -68.2 | -163.5 | 134.2 | 0 | 0 | 114.3 | N32 E33 C37 | N32-E35 PolarHBondContact O-N 3.12Å; E33-E35 PolarHBondContact O-N 3.29Å; E35-C37 PolarHBondContact O-N 3.3Å |
| 36 | S | 55.9 | Low | 72.7 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 22% | 0.217 | 40% | 0.398 | C | S | . | . | trans | -80.3 | 102.5 | -163.1 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | E33 L38 I75 | E33-S36 PolarHBondContact O-OG 3.42Å; E33-S36 VanDerWaalsContact O-OG 3.12Å; S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3.1Å; S36-I75 VanDerWaalsContact CB-CG2 3.44Å | ||
| 37 | C | 55.2 | Low | 72.5 | Confident | 90 Ų | 90 | 67 Ų | 67 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | trans | -78.1 | 77.4 | 165.6 | -160.3 | 0 | 0 | 0 | 0 | 110.1 | E35 T39 V40 | E35-C37 PolarHBondContact O-N 3.3Å; C37-T39 PolarHBondContact O-N 3.23Å; C37-V40 HydrophobicContact CB-CG2 4.48Å; C37-V40 WeakPolarHBondContact O-CG2 3.23Å; C37-V40 PolarHBondContact O-N 2.73Å; C37-V40 VanDerWaalsContact O-N 3.08Å | ||
| 38 | L | 58.9 | Low | 72.5 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.199 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -50.5 | -31.3 | -163.3 | -70.1 | 165.9 | 0 | 0 | 0 | 116 | S36 V40 Y41 I75 Y80 L81 | S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3.1Å; L38-V40 PolarHBondContact O-N 3.16Å; L38-V40 VanDerWaalsContact O-N 3.12Å; L38-Y41 PolarHBondContact O-N 3.4Å; L38-Y41 VanDerWaalsContact O-N 3.11Å; L38-I75 HydrophobicContact CD2-CG2 4.36Å; L38-Y80 HydrophobicContact CB-CD1 4.41Å; L38-L81 HydrophobicContact CD2-CD1 4.05Å |
| 39 | T | 62.7 | Low | 72.5 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -61.6 | -19.5 | 179.6 | 54 | 0 | 0 | 0 | 0 | 114.1 | C37 Y41 | C37-T39 PolarHBondContact O-N 3.23Å; T39-Y41 VanDerWaalsContact C-N 3.25Å; T39-Y41 PolarHBondContact O-N 2.89Å |
| 40 | V | 69.6 | Low | 72.6 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -70.4 | -21 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | C37 L38 | C37-V40 HydrophobicContact CB-CG2 4.48Å; C37-V40 WeakPolarHBondContact O-CG2 3.23Å; C37-V40 PolarHBondContact O-N 2.73Å; C37-V40 VanDerWaalsContact O-N 3.08Å; L38-V40 PolarHBondContact O-N 3.16Å; L38-V40 VanDerWaalsContact O-N 3.12Å |
| 41 | Y | 77.4 | Confident | 72.8 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -104.3 | -5.3 | -172.7 | -56 | -39.6 | 0 | 0 | 0 | 114.7 | L5 L38 T39 S43 F44 A45 L72 | L5-Y41 HydrophobicContact CD1-CD1 3.46Å; L5-Y41 VanDerWaalsContact CD1-CD1 3.46Å; L5-Y41 HydrophobicContact CD1-CE1 3.9Å; L5-Y41 HydrophobicContact CD1-CG 4.28Å; L5-Y41 HydrophobicContact CG-CD1 4.05Å; L5-Y41 HydrophobicContact CG-CE1 4.08Å; L38-Y41 PolarHBondContact O-N 3.4Å; L38-Y41 VanDerWaalsContact O-N 3.11Å; T39-Y41 VanDerWaalsContact C-N 3.25Å; T39-Y41 PolarHBondContact O-N 2.89Å; Y41-S43 PolarHBondContact O-N 3.22Å; Y41-F44 PolarHBondContact O-N 3.33Å; Y41-A45 WeakPolarHBondContact O-CB 3.21Å; Y41-A45 PolarHBondContact O-N 3.22Å; Y41-L72 HydrophobicContact CD2-CD2 4.44Å; Y41-L72 HydrophobicContact CG-CD2 4.39Å |
| 42 | E | 75.3 | Confident | 73.1 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | -172.7 | -166.6 | 179.8 | 171 | 0 | 0 | 113.5 | T46 L81 | E42-T46 WeakPolarHBondContact O-CB 3.31Å; E42-T46 PolarHBondContact O-N 2.84Å; E42-T46 PolarHBondContact O-OG1 3.32Å; E42-L81 HydrophobicContact CB-CD2 4.44Å |
| 43 | S | 77.9 | Confident | 74.2 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | Y41 S47 | Y41-S43 PolarHBondContact O-N 3.22Å; S43-S47 WeakPolarHBondContact O-CB 3.43Å; S43-S47 PolarHBondContact O-N 2.92Å; S43-S47 PolarHBondContact O-OG 3.19Å |
| 44 | F | 85.1 | Confident | 75.4 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.6 | -44.9 | 177 | -176.9 | -88.5 | 0 | 0 | 0 | 111.1 | L5 L8 A24 L28 Y41 T46 S47 L48 C68 L72 | L5-F44 HydrophobicContact CB-CB 4.37Å; L5-F44 HydrophobicContact CB-CD2 3.76Å; L5-F44 HydrophobicContact CB-CE2 4.24Å; L5-F44 HydrophobicContact CB-CG 4.06Å; L5-F44 HydrophobicContact CD1-CB 3.84Å; L5-F44 HydrophobicContact CD1-CD1 3.59Å; L5-F44 HydrophobicContact CD1-CD2 4.06Å; L5-F44 HydrophobicContact CD1-CE1 4.15Å; L5-F44 HydrophobicContact CD1-CG 3.55Å; L5-F44 HydrophobicContact CG-CG 4.44Å; L8-F44 HydrophobicContact CD1-CD2 4.18Å; L8-F44 HydrophobicContact CD1-CE2 3.68Å; L8-F44 HydrophobicContact CD1-CZ 4.01Å; L8-F44 HydrophobicContact CD2-CE2 3.96Å; L8-F44 HydrophobicContact CG-CD2 4.21Å; L8-F44 HydrophobicContact CG-CE2 3.72Å; L8-F44 HydrophobicContact CG-CZ 4.46Å; A24-F44 HydrophobicContact CB-CE1 4.46Å; A24-F44 HydrophobicContact CB-CE2 3.79Å; A24-F44 HydrophobicContact CB-CZ 3.48Å; A24-F44 VanDerWaalsContact CB-CZ 3.48Å; L28-F44 HydrophobicContact CD1-CE1 4.12Å; Y41-F44 PolarHBondContact O-N 3.33Å; F44-T46 VanDerWaalsContact C-N 3.34Å; F44-T46 PolarHBondContact O-N 3.11Å; F44-S47 WeakPolarHBondContact O-CB 3.43Å; F44-S47 PolarHBondContact O-N 2.92Å; F44-L48 HydrophobicContact CE1-CD1 4.37Å; F44-L48 HydrophobicContact CE1-CD2 4.14Å; F44-L48 HydrophobicContact CZ-CD1 4.45Å; F44-L48 VanDerWaalsContact O-CB 3.31Å; F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 PolarHBondContact O-N 3.05Å; F44-C68 HydrophobicContact CE1-CB 4.28Å; F44-C68 HydrophobicContact CZ-CB 4.49Å; F44-L72 HydrophobicContact CD1-CD1 4.1Å; F44-L72 HydrophobicContact CE1-CD1 4.27Å |
| 45 | A | 82.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y41 L48 C49 L72 F82 | Y41-A45 WeakPolarHBondContact O-CB 3.21Å; Y41-A45 PolarHBondContact O-N 3.22Å; A45-L48 PolarHBondContact O-N 3.3Å; A45-C49 WeakPolarHBondContact O-CB 3.42Å; A45-C49 PolarHBondContact O-N 3.44Å; A45-C49 PolarHBondContact O-SG 2.97Å; A45-L72 HydrophobicContact CB-CD1 4.24Å; A45-F82 HydrophobicContact CB-CE1 3.86Å; A45-F82 HydrophobicContact CB-CZ 4.14Å |
| 46 | T | 82.2 | Confident | 78.6 | Confident | 97 Ų | 97 | 55.5 Ų | 55.5 | 60% | 0.595 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 174.1 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | E42 F44 C49 | E42-T46 WeakPolarHBondContact O-CB 3.31Å; E42-T46 PolarHBondContact O-N 2.84Å; E42-T46 PolarHBondContact O-OG1 3.32Å; F44-T46 VanDerWaalsContact C-N 3.34Å; F44-T46 PolarHBondContact O-N 3.11Å; T46-C49 PolarHBondContact O-N 3.19Å |
| 47 | S | 83.9 | Confident | 80.2 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | S43 F44 C49 S50 L53 | S43-S47 WeakPolarHBondContact O-CB 3.43Å; S43-S47 PolarHBondContact O-N 2.92Å; S43-S47 PolarHBondContact O-OG 3.19Å; F44-S47 WeakPolarHBondContact O-CB 3.43Å; F44-S47 PolarHBondContact O-N 2.92Å; S47-C49 VanDerWaalsContact C-N 3.28Å; S47-C49 PolarHBondContact O-N 3.49Å; S47-S50 WeakPolarHBondContact O-CB 3.44Å; S47-S50 PolarHBondContact O-N 3.36Å; S47-S50 VanDerWaalsContact O-N 3.16Å; S47-S50 PolarHBondContact O-OG 2.98Å; S47-L53 WeakPolarHBondContact O-CD1 3.33Å |
| 48 | L | 86 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 177.4 | -163.7 | 71.1 | 0 | 0 | 0 | 112.2 | L8 L21 F44 A45 S50 L53 A65 C68 L69 L72 | L8-L48 HydrophobicContact CD1-CD1 4.22Å; L21-L48 HydrophobicContact CD2-CD1 4.02Å; F44-L48 HydrophobicContact CE1-CD1 4.37Å; F44-L48 HydrophobicContact CE1-CD2 4.14Å; F44-L48 HydrophobicContact CZ-CD1 4.45Å; F44-L48 VanDerWaalsContact O-CB 3.31Å; F44-L48 WeakPolarHBondContact O-CB 3.44Å; F44-L48 PolarHBondContact O-N 3.05Å; A45-L48 PolarHBondContact O-N 3.3Å; L48-S50 PolarHBondContact O-N 3.21Å; L48-L53 HydrophobicContact CD1-CD1 4.41Å; L48-A65 HydrophobicContact CD1-CB 3.94Å; L48-C68 HydrophobicContact CD1-CB 4.23Å; L48-C68 HydrophobicContact CD2-CB 3.87Å; L48-L69 HydrophobicContact CD2-CB 3.74Å; L48-L69 HydrophobicContact CD2-CD1 4.13Å; L48-L69 HydrophobicContact CD2-CG 3.93Å; L48-L69 HydrophobicContact CG-CD1 4.29Å; L48-L72 HydrophobicContact CD2-CD1 3.82Å |
| 49 | C | 85.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.081 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 12.3 | 174.1 | -67.7 | 0 | 0 | 0 | 0 | 114.6 | A45 T46 S47 F82 K86 L90 | A45-C49 WeakPolarHBondContact O-CB 3.42Å; A45-C49 PolarHBondContact O-N 3.44Å; A45-C49 PolarHBondContact O-SG 2.97Å; T46-C49 PolarHBondContact O-N 3.19Å; S47-C49 VanDerWaalsContact C-N 3.28Å; S47-C49 PolarHBondContact O-N 3.49Å; C49-F82 VanDerWaalsContact SG-CE1 3.55Å; C49-K86 PolarHBondContact O-NZ 3.02Å; C49-L90 VanDerWaalsContact SG-CD1 3.59Å |
| 50 | S | 86.8 | Confident | 84.5 | Confident | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | trans | -74.9 | 140.6 | 175.5 | 62.7 | 0 | 0 | 0 | 0 | 111.9 | S47 L48 E52 L53 L54 | S47-S50 WeakPolarHBondContact O-CB 3.44Å; S47-S50 PolarHBondContact O-N 3.36Å; S47-S50 VanDerWaalsContact O-N 3.16Å; S47-S50 PolarHBondContact O-OG 2.98Å; L48-S50 PolarHBondContact O-N 3.21Å; S50-E52 PolarHBondContact O-N 3Å; S50-L53 PolarHBondContact O-N 3.43Å; S50-L53 VanDerWaalsContact O-N 3.13Å; S50-L54 WeakPolarHBondContact O-CG 3.26Å; S50-L54 PolarHBondContact O-N 3.47Å; S50-L54 VanDerWaalsContact O-N 3.1Å | ||
| 51 | D | 84.3 | Confident | 85.5 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -29.6 | 179.4 | -121.2 | 17.2 | 0 | 0 | 0 | 111.9 | L53 K55 | D51-L53 VanDerWaalsContact C-N 3.32Å; D51-L53 PolarHBondContact O-N 3.4Å; D51-K55 HydrophobicContact CB-CD 4.47Å; D51-K55 VanDerWaalsContact O-CB 3.3Å; D51-K55 WeakPolarHBondContact O-CB 3.27Å; D51-K55 PolarHBondContact O-N 3.1Å; D51-K55 WeakPolarHBondContact OD1-CE 3.24Å; D51-K55 IonicContact OD1-NZ 2.69Å; D51-K55 PolarHBondContact OD1-NZ 3.49Å; D51-K55 IonicContact OD2-NZ 2.66Å; D51-K55 PolarHBondContact OD2-NZ 3.02Å |
| 52 | E | 85.3 | Confident | 86.3 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 62% | 0.621 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.9 | -32.9 | 175.9 | -67.2 | -174.6 | -157.8 | 0 | 0 | 113.3 | L10 S50 H56 | L10-E52 HydrophobicContact CD1-CB 4.07Å; L10-E52 WeakPolarHBondContact CD1-OE2 3.4Å; S50-E52 PolarHBondContact O-N 3Å; E52-H56 VanDerWaalsContact O-CA 3.31Å; E52-H56 WeakPolarHBondContact O-CA 3.45Å; E52-H56 WeakPolarHBondContact O-CB 3.36Å; E52-H56 PolarHBondContact O-N 3.46Å |
| 53 | L | 87.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -84.6 | -49 | 174.6 | -72 | 177 | 0 | 0 | 0 | 112.2 | L8 L10 L17 S47 L48 S50 D51 K55 H56 V61 | L8-L53 HydrophobicContact CD1-CD1 3.81Å; L10-L53 HydrophobicContact CD2-CD1 4.07Å; L10-L53 HydrophobicContact CD2-CD2 3.55Å; L10-L53 HydrophobicContact CD2-CG 3.68Å; L17-L53 HydrophobicContact CD1-CD2 4.16Å; L17-L53 HydrophobicContact CD2-CD2 3.81Å; L17-L53 HydrophobicContact CG-CD2 4.35Å; S47-L53 WeakPolarHBondContact O-CD1 3.33Å; L48-L53 HydrophobicContact CD1-CD1 4.41Å; S50-L53 PolarHBondContact O-N 3.43Å; S50-L53 VanDerWaalsContact O-N 3.13Å; D51-L53 VanDerWaalsContact C-N 3.32Å; D51-L53 PolarHBondContact O-N 3.4Å; L53-K55 VanDerWaalsContact C-N 3.25Å; L53-K55 PolarHBondContact O-N 2.89Å; L53-H56 VanDerWaalsContact O-CB 3.23Å; L53-H56 WeakPolarHBondContact O-CB 3.47Å; L53-H56 PolarHBondContact O-N 3.41Å; L53-H56 VanDerWaalsContact O-N 3.12Å; L53-V61 HydrophobicContact CD2-CG1 3.93Å |
| 54 | L | 88.9 | Confident | 87.9 | Confident | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -33 | -176.6 | -60.7 | 175 | 0 | 0 | 0 | 111.9 | S50 R62 L69 L90 F93 | S50-L54 WeakPolarHBondContact O-CG 3.26Å; S50-L54 PolarHBondContact O-N 3.47Å; S50-L54 VanDerWaalsContact O-N 3.1Å; L54-R62 WeakPolarHBondContact O-CD 3.41Å; L54-L69 HydrophobicContact CD2-CD1 4.34Å; L54-L90 HydrophobicContact CD1-CD2 3.82Å; L54-L90 HydrophobicContact CD2-CD2 4.3Å; L54-F93 HydrophobicContact CB-CD2 4.3Å; L54-F93 HydrophobicContact CB-CE2 4.32Å; L54-F93 HydrophobicContact CD2-CD1 3.55Å; L54-F93 HydrophobicContact CD2-CD2 4.07Å; L54-F93 HydrophobicContact CD2-CE1 3.56Å; L54-F93 HydrophobicContact CD2-CE2 4.1Å; L54-F93 HydrophobicContact CD2-CG 3.8Å; L54-F93 HydrophobicContact CD2-CZ 3.84Å; L54-F93 WeakPolarHBondContact O-CE2 3.19Å |
| 55 | K | 89.2 | Confident | 88.3 | Confident | 147 Ų | 147 | 42.7 Ų | 42.7 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 13.1 | 176.7 | -63 | 155.9 | 176.1 | 153.9 | 0 | 112.9 | D51 L53 | D51-K55 HydrophobicContact CB-CD 4.47Å; D51-K55 VanDerWaalsContact O-CB 3.3Å; D51-K55 WeakPolarHBondContact O-CB 3.27Å; D51-K55 PolarHBondContact O-N 3.1Å; D51-K55 WeakPolarHBondContact OD1-CE 3.24Å; D51-K55 IonicContact OD1-NZ 2.69Å; D51-K55 PolarHBondContact OD1-NZ 3.49Å; D51-K55 IonicContact OD2-NZ 2.66Å; D51-K55 PolarHBondContact OD2-NZ 3.02Å; L53-K55 VanDerWaalsContact C-N 3.25Å; L53-K55 PolarHBondContact O-N 2.89Å |
| 56 | H | 91.4 | Very high | 88.9 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -55.3 | 142.8 | -178.4 | -168.8 | -95.1 | 0 | 0 | 0 | 112.3 | E52 L53 S58 V61 R62 | E52-H56 VanDerWaalsContact O-CA 3.31Å; E52-H56 WeakPolarHBondContact O-CA 3.45Å; E52-H56 WeakPolarHBondContact O-CB 3.36Å; E52-H56 PolarHBondContact O-N 3.46Å; L53-H56 VanDerWaalsContact O-CB 3.23Å; L53-H56 WeakPolarHBondContact O-CB 3.47Å; L53-H56 PolarHBondContact O-N 3.41Å; L53-H56 VanDerWaalsContact O-N 3.12Å; H56-S58 PolarHBondContact ND1-N 3.23Å; H56-S58 VanDerWaalsContact ND1-N 3.14Å; H56-V61 HydrophobicContact CB-CB 4.39Å; H56-V61 HydrophobicContact CB-CG1 3.91Å; H56-V61 WeakPolarHBondContact ND1-CB 3.44Å; H56-R62 HydrophobicContact CB-CG 4.28Å; H56-R62 WeakPolarHBondContact O-CD 3.47Å; H56-R62 PolarHBondContact O-NH1 3.46Å | ||
| 57 | S | 89.4 | Confident | 89.4 | Confident | 100 Ų | 100 | 38 Ų | 38 | 70% | 0.699 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -62.9 | -48.8 | -175.5 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | P59 R62 | S57-P59 WeakPolarHBondContact O-CD 3.23Å; S57-R62 PolarHBondContact O-NH1 2.9Å |
| 58 | S | 89.6 | Confident | 89.8 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -64.8 | 122.9 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 112 | H56 Q60 V61 R62 | H56-S58 PolarHBondContact ND1-N 3.23Å; H56-S58 VanDerWaalsContact ND1-N 3.14Å; S58-Q60 VanDerWaalsContact C-N 3.28Å; S58-Q60 PolarHBondContact O-N 3.36Å; S58-Q60 PolarHBondContact OG-N 3.01Å; S58-V61 PolarHBondContact O-N 2.93Å; S58-R62 PolarHBondContact O-N 3.28Å |
| 59 | P | 88.5 | Confident | 90 | Very high | 60 Ų | 60 | 35.7 Ų | 35.7 | 39% | 0.39 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.2 | -31.2 | 175.5 | -21.8 | 33 | 0 | 0 | 0 | 113.9 | S57 V61 R62 I63 M100 | S57-P59 WeakPolarHBondContact O-CD 3.23Å; P59-V61 VanDerWaalsContact C-N 3.35Å; P59-V61 PolarHBondContact O-N 2.68Å; P59-R62 PolarHBondContact O-N 3.48Å; P59-I63 PolarHBondContact O-N 3.34Å; P59-M100 HydrophobicContact CB-CE 3.71Å |
| 60 | Q | 88.8 | Confident | 90.2 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 179.8 | -155.3 | 77.5 | 20 | 0 | 0 | 111.7 | I18 S58 R62 I63 L64 P107 G108 D111 | I18-Q60 HydrophobicContact CD1-CB 3.89Å; I18-Q60 HydrophobicContact CD1-CG 4.26Å; I18-Q60 HydrophobicContact CG1-CB 4.3Å; I18-Q60 HydrophobicContact CG1-CG 4.46Å; S58-Q60 VanDerWaalsContact C-N 3.28Å; S58-Q60 PolarHBondContact O-N 3.36Å; S58-Q60 PolarHBondContact OG-N 3.01Å; Q60-R62 VanDerWaalsContact C-N 3.33Å; Q60-R62 PolarHBondContact O-N 3.49Å; Q60-I63 WeakPolarHBondContact O-CG2 3.44Å; Q60-I63 PolarHBondContact O-N 2.97Å; Q60-L64 HydrophobicContact CG-CD1 3.95Å; Q60-L64 WeakPolarHBondContact O-CB 3.35Å; Q60-L64 WeakPolarHBondContact O-CG 3.34Å; Q60-L64 PolarHBondContact O-N 2.94Å; Q60-P107 PolarHBondContact NE2-O 3.47Å; Q60-P107 PolarHBondContact OE1-O 3.48Å; Q60-G108 VanDerWaalsContact OE1-N 3.09Å; Q60-D111 PolarHBondContact NE2-OD2 3.47Å |
| 61 | V | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 110 | V14 L17 I18 L21 L53 H56 S58 P59 A65 | V14-V61 HydrophobicContact CG1-CG2 4.04Å; L17-V61 HydrophobicContact CD2-CG1 3.88Å; L17-V61 HydrophobicContact CD2-CG2 4.3Å; L17-V61 HydrophobicContact CG-CG1 4.33Å; I18-V61 HydrophobicContact CD1-CG2 4.29Å; I18-V61 HydrophobicContact CG1-CG2 3.69Å; L21-V61 HydrophobicContact CD1-CG1 3.85Å; L53-V61 HydrophobicContact CD2-CG1 3.93Å; H56-V61 HydrophobicContact CB-CB 4.39Å; H56-V61 HydrophobicContact CB-CG1 3.91Å; H56-V61 WeakPolarHBondContact ND1-CB 3.44Å; S58-V61 PolarHBondContact O-N 2.93Å; P59-V61 VanDerWaalsContact C-N 3.35Å; P59-V61 PolarHBondContact O-N 2.68Å; V61-A65 VanDerWaalsContact O-CB 3.24Å; V61-A65 WeakPolarHBondContact O-CB 3.36Å; V61-A65 PolarHBondContact O-N 3.44Å |
| 62 | R | 93.5 | Very high | 90.3 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 22% | 0.219 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 179.5 | -62.4 | -167.7 | -52.2 | -90.1 | -1.1 | 113.1 | L54 H56 S57 S58 P59 Q60 A65 A66 F93 Q97 | L54-R62 WeakPolarHBondContact O-CD 3.41Å; H56-R62 HydrophobicContact CB-CG 4.28Å; H56-R62 WeakPolarHBondContact O-CD 3.47Å; H56-R62 PolarHBondContact O-NH1 3.46Å; S57-R62 PolarHBondContact O-NH1 2.9Å; S58-R62 PolarHBondContact O-N 3.28Å; P59-R62 PolarHBondContact O-N 3.48Å; Q60-R62 VanDerWaalsContact C-N 3.33Å; Q60-R62 PolarHBondContact O-N 3.49Å; R62-A65 PolarHBondContact O-N 3.31Å; R62-A66 WeakPolarHBondContact O-CB 3.24Å; R62-A66 PolarHBondContact O-N 3.14Å; R62-F93 HydrophobicContact CB-CE2 4.04Å; R62-F93 HydrophobicContact CB-CZ 4.04Å; R62-F93 HydrophobicContact CG-CE2 4.29Å; R62-F93 VanDerWaalsContact O-CZ 3.31Å; R62-F93 WeakPolarHBondContact O-CZ 3.34Å; R62-Q97 HydrophobicContact CB-CG 4.42Å; R62-Q97 VanDerWaalsContact CB-OE1 3.32Å |
| 63 | I | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -38 | 178.8 | -171.1 | 66.9 | 0 | 0 | 0 | 112.1 | P59 Q60 A66 C67 Q97 D111 A112 L115 | P59-I63 PolarHBondContact O-N 3.34Å; Q60-I63 WeakPolarHBondContact O-CG2 3.44Å; Q60-I63 PolarHBondContact O-N 2.97Å; I63-A66 PolarHBondContact O-N 3.03Å; I63-C67 PolarHBondContact O-N 3.33Å; I63-C67 PolarHBondContact O-SG 3.5Å; I63-Q97 HydrophobicContact CD1-CB 3.52Å; I63-Q97 HydrophobicContact CD1-CG 4.49Å; I63-D111 HydrophobicContact CB-CB 4.42Å; I63-D111 HydrophobicContact CG1-CB 3.69Å; I63-D111 HydrophobicContact CG2-CB 3.85Å; I63-A112 HydrophobicContact CD1-CB 3.73Å; I63-A112 HydrophobicContact CG1-CB 4.1Å; I63-L115 HydrophobicContact CD1-CB 4.27Å; I63-L115 HydrophobicContact CD1-CD2 3.49Å; I63-L115 VanDerWaalsContact CD1-CD2 3.49Å |
| 64 | L | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 174.9 | -73.1 | 166.6 | 0 | 0 | 0 | 112.1 | I18 L21 K22 K25 Q60 C67 C68 D111 | I18-L64 HydrophobicContact CB-CD1 4.38Å; I18-L64 HydrophobicContact CG1-CD1 4.44Å; I18-L64 HydrophobicContact CG2-CD1 3.83Å; L21-L64 HydrophobicContact CB-CB 3.84Å; L21-L64 HydrophobicContact CB-CD1 4.47Å; L21-L64 HydrophobicContact CD1-CB 4.39Å; K22-L64 HydrophobicContact CG-CD1 3.87Å; K22-L64 HydrophobicContact CG-CD2 3.8Å; K25-L64 HydrophobicContact CD-CD2 4.06Å; Q60-L64 HydrophobicContact CG-CD1 3.95Å; Q60-L64 WeakPolarHBondContact O-CB 3.35Å; Q60-L64 WeakPolarHBondContact O-CG 3.34Å; Q60-L64 PolarHBondContact O-N 2.94Å; L64-C67 WeakPolarHBondContact O-CB 3.39Å; L64-C67 PolarHBondContact O-N 3.15Å; L64-C68 PolarHBondContact O-N 2.73Å; L64-C68 VanDerWaalsContact O-N 3.09Å; L64-C68 PolarHBondContact O-SG 3.35Å; L64-D111 WeakPolarHBondContact CD2-OD1 3.31Å; L64-D111 WeakPolarHBondContact CD2-OD2 3.21Å |
| 65 | A | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L21 L48 V61 R62 C67 C68 L69 F93 | L21-A65 HydrophobicContact CD1-CB 4.5Å; L21-A65 HydrophobicContact CD2-CB 4.5Å; L48-A65 HydrophobicContact CD1-CB 3.94Å; V61-A65 VanDerWaalsContact O-CB 3.24Å; V61-A65 WeakPolarHBondContact O-CB 3.36Å; V61-A65 PolarHBondContact O-N 3.44Å; R62-A65 PolarHBondContact O-N 3.31Å; A65-C67 VanDerWaalsContact C-N 3.34Å; A65-C67 PolarHBondContact O-N 3.34Å; A65-C68 PolarHBondContact O-N 3.14Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 PolarHBondContact O-N 3.08Å; A65-F93 HydrophobicContact CB-CZ 4.46Å |
| 66 | A | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R62 I63 L69 A70 F93 Q97 L115 | R62-A66 WeakPolarHBondContact O-CB 3.24Å; R62-A66 PolarHBondContact O-N 3.14Å; I63-A66 PolarHBondContact O-N 3.03Å; A66-L69 PolarHBondContact O-N 3.08Å; A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.2Å; A66-F93 HydrophobicContact CB-CD1 4.32Å; A66-F93 HydrophobicContact CB-CE1 3.7Å; A66-F93 HydrophobicContact CB-CZ 4.32Å; A66-Q97 HydrophobicContact CB-CB 4.27Å; A66-Q97 HydrophobicContact CB-CG 3.85Å; A66-L115 HydrophobicContact CB-CD1 4.32Å; A66-L115 HydrophobicContact CB-CD2 3.75Å; A66-L115 WeakPolarHBondContact O-CD1 3.33Å |
| 67 | C | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -53.2 | 171.8 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | K25 I63 L64 A65 L69 A70 D71 D111 Y114 | K25-C67 HydrophobicContact CD-CB 3.7Å; K25-C67 HydrophobicContact CG-CB 4.1Å; K25-C67 PolarHBondContact NZ-SG 2.9Å; K25-C67 VanDerWaalsContact NZ-SG 3.45Å; I63-C67 PolarHBondContact O-N 3.33Å; I63-C67 PolarHBondContact O-SG 3.5Å; L64-C67 WeakPolarHBondContact O-CB 3.39Å; L64-C67 PolarHBondContact O-N 3.15Å; A65-C67 VanDerWaalsContact C-N 3.34Å; A65-C67 PolarHBondContact O-N 3.34Å; C67-L69 PolarHBondContact O-N 3.17Å; C67-A70 PolarHBondContact O-N 3.2Å; C67-D71 PolarHBondContact O-N 2.96Å; C67-D111 PolarHBondContact SG-O 3.18Å; C67-Y114 HydrophobicContact CB-CD1 4.02Å; C67-Y114 HydrophobicContact CB-CE1 4.09Å |
| 68 | C | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -36.1 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L21 L28 F44 L48 L64 A65 L72 | L21-C68 PolarHBondContact O-SG 3.29Å; L28-C68 HydrophobicContact CD1-CB 3.82Å; F44-C68 HydrophobicContact CE1-CB 4.28Å; F44-C68 HydrophobicContact CZ-CB 4.49Å; L48-C68 HydrophobicContact CD1-CB 4.23Å; L48-C68 HydrophobicContact CD2-CB 3.87Å; L64-C68 PolarHBondContact O-N 2.73Å; L64-C68 VanDerWaalsContact O-N 3.09Å; L64-C68 PolarHBondContact O-SG 3.35Å; A65-C68 PolarHBondContact O-N 3.14Å; C68-L72 WeakPolarHBondContact O-CG 3.35Å; C68-L72 PolarHBondContact O-N 3.06Å |
| 69 | L | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.6 | -37.8 | -179.1 | -147.7 | 154.1 | 0 | 0 | 0 | 111.6 | L48 L54 A65 A66 C67 L72 L73 L90 | L48-L69 HydrophobicContact CD2-CB 3.74Å; L48-L69 HydrophobicContact CD2-CD1 4.13Å; L48-L69 HydrophobicContact CD2-CG 3.93Å; L48-L69 HydrophobicContact CG-CD1 4.29Å; L54-L69 HydrophobicContact CD2-CD1 4.34Å; A65-L69 WeakPolarHBondContact O-CB 3.43Å; A65-L69 PolarHBondContact O-N 3.08Å; A66-L69 PolarHBondContact O-N 3.08Å; C67-L69 PolarHBondContact O-N 3.17Å; L69-L72 PolarHBondContact O-N 3.06Å; L69-L73 HydrophobicContact CD2-CD1 3.58Å; L69-L73 HydrophobicContact CD2-CG 3.97Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 3.29Å; L69-L90 HydrophobicContact CD1-CB 4.41Å; L69-L90 HydrophobicContact CD1-CD1 4.42Å; L69-L90 HydrophobicContact CD1-CD2 3.94Å; L69-L90 HydrophobicContact CD1-CG 4.46Å; L69-L90 HydrophobicContact CD2-CB 3.9Å; L69-L90 HydrophobicContact CD2-CD1 4.23Å |
| 70 | A | 90.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A66 C67 L73 R74 L115 L119 | A66-A70 WeakPolarHBondContact O-CB 3.45Å; A66-A70 PolarHBondContact O-N 3.2Å; C67-A70 PolarHBondContact O-N 3.2Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-R74 PolarHBondContact O-N 2.84Å; A70-L115 HydrophobicContact CB-CD1 3.53Å; A70-L119 HydrophobicContact CB-CD2 3.97Å; A70-L119 HydrophobicContact CB-CG 4.22Å |
| 71 | D | 88.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.2 | -83.8 | -60.7 | 0 | 0 | 0 | 112.8 | L28 C67 L73 R74 I75 Y114 N118 | L28-D71 HydrophobicContact CB-CB 3.78Å; C67-D71 PolarHBondContact O-N 2.96Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 3.27Å; D71-R74 WeakPolarHBondContact O-CB 3.31Å; D71-R74 PolarHBondContact O-N 3.42Å; D71-R74 IonicContact OD1-CZ 2.63Å; D71-R74 IonicContact OD1-NE 3.46Å; D71-R74 PolarHBondContact OD1-NE 3.1Å; D71-R74 VanDerWaalsContact OD1-NE 3.17Å; D71-R74 IonicContact OD1-NH2 3.98Å; D71-R74 PolarHBondContact OD1-NH2 3.11Å; D71-I75 VanDerWaalsContact O-CD1 3.32Å; D71-I75 WeakPolarHBondContact O-CD1 3.35Å; D71-I75 VanDerWaalsContact O-CG1 3.24Å; D71-I75 WeakPolarHBondContact O-CG1 3.33Å; D71-I75 PolarHBondContact O-N 3.41Å; D71-Y114 VanDerWaalsContact CG-OH 3.32Å; D71-Y114 PolarHBondContact OD1-OH 2.82Å; D71-Y114 WeakPolarHBondContact OD2-CE1 3.49Å; D71-Y114 PolarHBondContact OD2-OH 2.96Å; D71-N118 PolarHBondContact OD1-ND2 2.94Å; D71-N118 PolarHBondContact OD2-ND2 3.42Å |
| 72 | L | 86.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 173.1 | -72 | 168.9 | 0 | 0 | 0 | 111.8 | L28 Y41 F44 A45 L48 C68 L69 R74 I75 E76 L81 F82 | L28-L72 HydrophobicContact CD1-CG 4.24Å; L28-L72 HydrophobicContact CD2-CD2 3.85Å; L28-L72 HydrophobicContact CD2-CG 4.29Å; Y41-L72 HydrophobicContact CD2-CD2 4.44Å; Y41-L72 HydrophobicContact CG-CD2 4.39Å; F44-L72 HydrophobicContact CD1-CD1 4.1Å; F44-L72 HydrophobicContact CE1-CD1 4.27Å; A45-L72 HydrophobicContact CB-CD1 4.24Å; L48-L72 HydrophobicContact CD2-CD1 3.82Å; C68-L72 WeakPolarHBondContact O-CG 3.35Å; C68-L72 PolarHBondContact O-N 3.06Å; L69-L72 PolarHBondContact O-N 3.06Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 2.99Å; L72-I75 PolarHBondContact O-N 3.17Å; L72-E76 VanDerWaalsContact O-CB 3.24Å; L72-E76 WeakPolarHBondContact O-CB 3.4Å; L72-E76 PolarHBondContact O-N 3.33Å; L72-E76 VanDerWaalsContact O-N 3.1Å; L72-L81 HydrophobicContact CD2-CD1 4.42Å; L72-F82 HydrophobicContact CB-CE2 4.05Å; L72-F82 HydrophobicContact CB-CZ 3.85Å; L72-F82 HydrophobicContact CD1-CZ 4.12Å |
| 73 | L | 83.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 175.6 | -72.8 | 168.5 | 0 | 0 | 0 | 113 | L69 A70 D71 F82 L91 T124 R127 | L69-L73 HydrophobicContact CD2-CD1 3.58Å; L69-L73 HydrophobicContact CD2-CG 3.97Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 3.29Å; A70-L73 PolarHBondContact O-N 2.87Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 3.27Å; L73-F82 HydrophobicContact CD2-CD2 3.91Å; L73-F82 HydrophobicContact CD2-CE2 3.99Å; L73-F82 HydrophobicContact CG-CE2 4.29Å; L73-L91 HydrophobicContact CD1-CD2 3.83Å; L73-T124 HydrophobicContact CB-CG2 4.36Å; L73-T124 HydrophobicContact CD1-CG2 4.16Å; L73-R127 PolarHBondContact O-NH2 2.87Å |
| 74 | R | 84.5 | Confident | 78 | Confident | 47 Ų | 47 | 33.4 Ų | 33.4 | 18% | 0.177 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -46.3 | 173.2 | 175.7 | -178.8 | 62 | 75.6 | -2.5 | 111.7 | L28 V31 E33 A70 D71 L72 E76 | L28-R74 PolarHBondContact O-NH2 3.32Å; V31-R74 PolarHBondContact O-NH1 3.12Å; V31-R74 PolarHBondContact O-NH2 3.38Å; V31-R74 VanDerWaalsContact O-NH2 3.13Å; E33-R74 WeakPolarHBondContact OE1-CG 3.5Å; E33-R74 IonicContact OE1-NH1 2.66Å; A70-R74 PolarHBondContact O-N 2.84Å; D71-R74 WeakPolarHBondContact O-CB 3.31Å; D71-R74 PolarHBondContact O-N 3.42Å; D71-R74 IonicContact OD1-CZ 2.63Å; D71-R74 IonicContact OD1-NE 3.46Å; D71-R74 PolarHBondContact OD1-NE 3.1Å; D71-R74 VanDerWaalsContact OD1-NE 3.17Å; D71-R74 IonicContact OD1-NH2 3.98Å; D71-R74 PolarHBondContact OD1-NH2 3.11Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 2.99Å; R74-E76 VanDerWaalsContact C-N 3.28Å; R74-E76 PolarHBondContact O-N 2.88Å |
| 75 | I | 79.5 | Confident | 77 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.8 | -22.8 | -177.5 | -62.1 | 158.6 | 0 | 0 | 0 | 111.9 | L28 V31 S36 L38 D71 L72 | L28-I75 HydrophobicContact CD2-CD1 4.29Å; V31-I75 HydrophobicContact CB-CD1 3.79Å; V31-I75 HydrophobicContact CB-CG1 4.48Å; V31-I75 HydrophobicContact CG1-CD1 3.83Å; V31-I75 HydrophobicContact CG1-CG1 4.22Å; V31-I75 HydrophobicContact CG1-CG2 4.41Å; S36-I75 VanDerWaalsContact CB-CG2 3.44Å; L38-I75 HydrophobicContact CD2-CG2 4.36Å; D71-I75 VanDerWaalsContact O-CD1 3.32Å; D71-I75 WeakPolarHBondContact O-CD1 3.35Å; D71-I75 VanDerWaalsContact O-CG1 3.24Å; D71-I75 WeakPolarHBondContact O-CG1 3.33Å; D71-I75 PolarHBondContact O-N 3.41Å; L72-I75 PolarHBondContact O-N 3.17Å |
| 76 | E | 67.1 | Low | 76.5 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | trans | -85.8 | 115.5 | -171.6 | -164.9 | -141.9 | -166.4 | 0 | 0 | 114.1 | L72 R74 G79 Y80 L81 R127 | L72-E76 VanDerWaalsContact O-CB 3.24Å; L72-E76 WeakPolarHBondContact O-CB 3.4Å; L72-E76 PolarHBondContact O-N 3.33Å; L72-E76 VanDerWaalsContact O-N 3.1Å; R74-E76 VanDerWaalsContact C-N 3.28Å; R74-E76 PolarHBondContact O-N 2.88Å; E76-G79 PolarHBondContact OE1-N 2.74Å; E76-Y80 PolarHBondContact OE1-N 2.91Å; E76-L81 HydrophobicContact CB-CD1 4.42Å; E76-L81 HydrophobicContact CG-CB 4.14Å; E76-L81 HydrophobicContact CG-CD1 4.22Å; E76-L81 HydrophobicContact CG-CG 4.23Å; E76-L81 PolarHBondContact OE1-N 3.16Å; E76-R127 PolarHBondContact O-NH2 3.07Å; E76-R127 IonicContact OE2-CZ 2.76Å; E76-R127 IonicContact OE2-NH1 3.96Å; E76-R127 PolarHBondContact OE2-NH1 3.43Å | ||
| 77 | S | 55.6 | Low | 76 | Confident | 91 Ų | 91 | 48 Ų | 48 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | trans | -62.2 | 142.3 | 159 | -76.8 | 0 | 0 | 0 | 0 | 110.9 | G79 | S77-G79 PolarHBondContact O-N 2.89Å; S77-G79 VanDerWaalsContact O-N 3.1Å | ||
| 78 | P | 52.3 | Low | 75.6 | Confident | 123 Ų | 123 | 50.2 Ų | 50.2 | 80% | 0.799 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 113.6 | -159.7 | -25.9 | 35.3 | 0 | 0 | 0 | 115.7 | ||
| 79 | G | 55.1 | Low | 75.4 | Confident | 48 Ų | 48 | 55.2 Ų | 55.2 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 38.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | E76 S77 | E76-G79 PolarHBondContact OE1-N 2.74Å; S77-G79 PolarHBondContact O-N 2.89Å; S77-G79 VanDerWaalsContact O-N 3.1Å |
| 80 | Y | 62.8 | Low | 75.4 | Confident | 148 Ų | 148 | 55.4 Ų | 55.4 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -120.7 | -37.5 | 178.6 | -158.2 | -88.4 | 0 | 0 | 0 | 114.5 | L38 E76 | L38-Y80 HydrophobicContact CB-CD1 4.41Å; E76-Y80 PolarHBondContact OE1-N 2.91Å |
| 81 | L | 67.2 | Low | 75.4 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -97.1 | -24.4 | -177.3 | -70.7 | 176.6 | 0 | 0 | 0 | 113.6 | L38 E42 L72 E76 | L38-L81 HydrophobicContact CD2-CD1 4.05Å; E42-L81 HydrophobicContact CB-CD2 4.44Å; L72-L81 HydrophobicContact CD2-CD1 4.42Å; E76-L81 HydrophobicContact CB-CD1 4.42Å; E76-L81 HydrophobicContact CG-CB 4.14Å; E76-L81 HydrophobicContact CG-CD1 4.22Å; E76-L81 HydrophobicContact CG-CG 4.23Å; E76-L81 PolarHBondContact OE1-N 3.16Å |
| 82 | F | 74 | Confident | 75.6 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -130.6 | 130.5 | -175.4 | -55.1 | -70 | 0 | 0 | 0 | 111.6 | A45 C49 L72 L73 D84 V87 L90 | A45-F82 HydrophobicContact CB-CE1 3.86Å; A45-F82 HydrophobicContact CB-CZ 4.14Å; C49-F82 VanDerWaalsContact SG-CE1 3.55Å; L72-F82 HydrophobicContact CB-CE2 4.05Å; L72-F82 HydrophobicContact CB-CZ 3.85Å; L72-F82 HydrophobicContact CD1-CZ 4.12Å; L73-F82 HydrophobicContact CD2-CD2 3.91Å; L73-F82 HydrophobicContact CD2-CE2 3.99Å; L73-F82 HydrophobicContact CG-CE2 4.29Å; F82-D84 PolarHBondContact O-N 3.23Å; F82-V87 HydrophobicContact CB-CG2 3.9Å; F82-L90 HydrophobicContact CB-CD1 4.47Å; F82-L90 HydrophobicContact CD1-CD1 3.74Å; F82-L90 HydrophobicContact CE1-CD1 4.21Å; F82-L90 HydrophobicContact CG-CD1 4.17Å |
| 83 | P | 69.2 | Low | 75.9 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | trans | -64.5 | 130.6 | 173.2 | -19.8 | 31.6 | 0 | 0 | 0 | 110.9 | K85 K86 V87 | P83-K85 PolarHBondContact O-N 3.25Å; P83-K86 WeakPolarHBondContact O-CA 3.01Å; P83-K86 PolarHBondContact O-N 2.92Å; P83-V87 PolarHBondContact O-N 3.09Å | ||
| 84 | D | 67 | Low | 76.3 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -45.2 | -42.1 | -176.6 | -59.3 | -42.1 | 0 | 0 | 0 | 113.7 | F82 K86 V87 | F82-D84 PolarHBondContact O-N 3.23Å; D84-K86 PolarHBondContact O-N 3.47Å; D84-V87 WeakPolarHBondContact O-CB 3.37Å; D84-V87 PolarHBondContact O-N 3.06Å |
| 85 | K | 72.3 | Confident | 76.8 | Confident | 198 Ų | 198 | 55 Ų | 55 | 86% | 0.861 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.1 | -28.2 | 179.6 | -65.9 | -177.9 | 179.2 | 177 | 0 | 113.6 | P83 | P83-K85 PolarHBondContact O-N 3.25Å |
| 86 | K | 81.7 | Confident | 77.4 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -88 | -26.7 | 172.7 | -83.7 | -162.8 | 170.7 | -167.8 | 0 | 113 | C49 P83 D84 K88 D89 L90 | C49-K86 PolarHBondContact O-NZ 3.02Å; P83-K86 WeakPolarHBondContact O-CA 3.01Å; P83-K86 PolarHBondContact O-N 2.92Å; D84-K86 PolarHBondContact O-N 3.47Å; K86-K88 PolarHBondContact O-N 3.05Å; K86-K88 VanDerWaalsContact O-N 3.16Å; K86-D89 PolarHBondContact O-N 3.22Å; K86-L90 HydrophobicContact CB-CD1 4.49Å; K86-L90 WeakPolarHBondContact O-CG 3.48Å; K86-L90 PolarHBondContact O-N 3.42Å |
| 87 | V | 83.4 | Confident | 78.7 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.8 | -38.2 | -177.3 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | F82 P83 D84 D89 L90 L91 | F82-V87 HydrophobicContact CB-CG2 3.9Å; P83-V87 PolarHBondContact O-N 3.09Å; D84-V87 WeakPolarHBondContact O-CB 3.37Å; D84-V87 PolarHBondContact O-N 3.06Å; V87-D89 PolarHBondContact O-N 2.96Å; V87-L90 PolarHBondContact O-N 3.5Å; V87-L91 HydrophobicContact CG1-CD1 3.8Å; V87-L91 HydrophobicContact CG1-CG 4.24Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.26Å; V87-L91 WeakPolarHBondContact O-CG 3.24Å; V87-L91 PolarHBondContact O-N 3.37Å |
| 88 | K | 86.5 | Confident | 80.6 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.7 | -50.1 | 171.8 | -173.4 | 164.3 | 178.9 | 162.5 | 0 | 112.7 | K86 L92 L131 D132 D133 L137 | K86-K88 PolarHBondContact O-N 3.05Å; K86-K88 VanDerWaalsContact O-N 3.16Å; K88-L92 HydrophobicContact CG-CD1 4.24Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 VanDerWaalsContact O-CG 3.23Å; K88-L92 WeakPolarHBondContact O-CG 3.32Å; K88-L92 PolarHBondContact O-N 2.91Å; K88-L92 VanDerWaalsContact O-N 3.1Å; K88-L131 HydrophobicContact CB-CD1 3.95Å; K88-L131 HydrophobicContact CG-CD1 4.24Å; K88-D132 PolarHBondContact NZ-O 2.95Å; K88-D133 IonicContact NZ-OD2 2.69Å; K88-D133 PolarHBondContact NZ-OD2 3.35Å; K88-L137 HydrophobicContact CD-CD1 4.11Å; K88-L137 HydrophobicContact CG-CD1 4.21Å; K88-L137 HydrophobicContact CG-CD2 4.25Å |
| 89 | D | 87.6 | Confident | 82.4 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -70.8 | -36.6 | -177.5 | -66.2 | -28.2 | 0 | 0 | 0 | 112.5 | K86 V87 L92 F93 | K86-D89 PolarHBondContact O-N 3.22Å; V87-D89 PolarHBondContact O-N 2.96Å; D89-L92 PolarHBondContact O-N 3.18Å; D89-F93 WeakPolarHBondContact O-CB 3.31Å; D89-F93 PolarHBondContact O-N 2.89Å |
| 90 | L | 89.9 | Confident | 84.1 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.4 | -61.1 | -179.8 | 0 | 0 | 0 | 111.8 | C49 L54 L69 F82 K86 V87 L92 F93 C94 | C49-L90 VanDerWaalsContact SG-CD1 3.59Å; L54-L90 HydrophobicContact CD1-CD2 3.82Å; L54-L90 HydrophobicContact CD2-CD2 4.3Å; L69-L90 HydrophobicContact CD1-CB 4.41Å; L69-L90 HydrophobicContact CD1-CD1 4.42Å; L69-L90 HydrophobicContact CD1-CD2 3.94Å; L69-L90 HydrophobicContact CD1-CG 4.46Å; L69-L90 HydrophobicContact CD2-CB 3.9Å; L69-L90 HydrophobicContact CD2-CD1 4.23Å; F82-L90 HydrophobicContact CB-CD1 4.47Å; F82-L90 HydrophobicContact CD1-CD1 3.74Å; F82-L90 HydrophobicContact CE1-CD1 4.21Å; F82-L90 HydrophobicContact CG-CD1 4.17Å; K86-L90 HydrophobicContact CB-CD1 4.49Å; K86-L90 WeakPolarHBondContact O-CG 3.48Å; K86-L90 PolarHBondContact O-N 3.42Å; V87-L90 PolarHBondContact O-N 3.5Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-F93 WeakPolarHBondContact O-CB 3.46Å; L90-F93 PolarHBondContact O-N 3.26Å; L90-C94 PolarHBondContact O-N 3.35Å; L90-C94 PolarHBondContact O-SG 2.92Å |
| 91 | L | 89.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 173.3 | -70.2 | 172.4 | 0 | 0 | 0 | 111.7 | L73 V87 F93 C94 M95 T124 R127 F128 | L73-L91 HydrophobicContact CD1-CD2 3.83Å; V87-L91 HydrophobicContact CG1-CD1 3.8Å; V87-L91 HydrophobicContact CG1-CG 4.24Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.26Å; V87-L91 WeakPolarHBondContact O-CG 3.24Å; V87-L91 PolarHBondContact O-N 3.37Å; L91-F93 VanDerWaalsContact C-N 3.34Å; L91-F93 PolarHBondContact O-N 3.04Å; L91-C94 PolarHBondContact O-N 3.4Å; L91-M95 WeakPolarHBondContact O-CG 3.45Å; L91-M95 PolarHBondContact O-N 3.21Å; L91-T124 HydrophobicContact CD2-CG2 3.39Å; L91-R127 HydrophobicContact CD1-CB 4.1Å; L91-F128 HydrophobicContact CB-CE1 3.49Å; L91-F128 VanDerWaalsContact CB-CE1 3.49Å; L91-F128 HydrophobicContact CB-CZ 3.82Å; L91-F128 HydrophobicContact CD1-CD1 3.83Å; L91-F128 HydrophobicContact CD1-CE1 3.54Å; L91-F128 HydrophobicContact CD1-CZ 4.47Å; L91-F128 HydrophobicContact CG-CE1 4.13Å |
| 92 | L | 91.7 | Very high | 86.4 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 173.3 | -75.1 | 173.9 | 0 | 0 | 0 | 112.7 | K88 D89 L90 M95 D96 L137 | K88-L92 HydrophobicContact CG-CD1 4.24Å; K88-L92 WeakPolarHBondContact O-CB 3.47Å; K88-L92 VanDerWaalsContact O-CG 3.23Å; K88-L92 WeakPolarHBondContact O-CG 3.32Å; K88-L92 PolarHBondContact O-N 2.91Å; K88-L92 VanDerWaalsContact O-N 3.1Å; D89-L92 PolarHBondContact O-N 3.18Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L92-M95 HydrophobicContact CD2-CE 4.39Å; L92-M95 HydrophobicContact CD2-SD 4Å; L92-M95 WeakPolarHBondContact O-CB 3.37Å; L92-D96 PolarHBondContact O-N 2.63Å; L92-L137 HydrophobicContact CD1-CD2 4.09Å; L92-L137 HydrophobicContact CD2-CD2 3.75Å; L92-L137 HydrophobicContact CG-CD2 4.02Å |
| 93 | F | 93 | Very high | 87 | Confident | 19 Ų | 19 | 51 Ų | 51 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 173.5 | 165.1 | -101.9 | 0 | 0 | 0 | 112 | L54 R62 A65 A66 D89 L90 L91 D96 Q97 | L54-F93 HydrophobicContact CB-CD2 4.3Å; L54-F93 HydrophobicContact CB-CE2 4.32Å; L54-F93 HydrophobicContact CD2-CD1 3.55Å; L54-F93 HydrophobicContact CD2-CD2 4.07Å; L54-F93 HydrophobicContact CD2-CE1 3.56Å; L54-F93 HydrophobicContact CD2-CE2 4.1Å; L54-F93 HydrophobicContact CD2-CG 3.8Å; L54-F93 HydrophobicContact CD2-CZ 3.84Å; L54-F93 WeakPolarHBondContact O-CE2 3.19Å; R62-F93 HydrophobicContact CB-CE2 4.04Å; R62-F93 HydrophobicContact CB-CZ 4.04Å; R62-F93 HydrophobicContact CG-CE2 4.29Å; R62-F93 VanDerWaalsContact O-CZ 3.31Å; R62-F93 WeakPolarHBondContact O-CZ 3.34Å; A65-F93 HydrophobicContact CB-CZ 4.46Å; A66-F93 HydrophobicContact CB-CD1 4.32Å; A66-F93 HydrophobicContact CB-CE1 3.7Å; A66-F93 HydrophobicContact CB-CZ 4.32Å; D89-F93 WeakPolarHBondContact O-CB 3.31Å; D89-F93 PolarHBondContact O-N 2.89Å; L90-F93 WeakPolarHBondContact O-CB 3.46Å; L90-F93 PolarHBondContact O-N 3.26Å; L91-F93 VanDerWaalsContact C-N 3.34Å; L91-F93 PolarHBondContact O-N 3.04Å; F93-D96 PolarHBondContact O-N 3.21Å; F93-Q97 HydrophobicContact CE2-CG 4.17Å; F93-Q97 HydrophobicContact CZ-CG 4.15Å; F93-Q97 WeakPolarHBondContact O-CG 3.41Å; F93-Q97 PolarHBondContact O-N 3.3Å; F93-Q97 PolarHBondContact O-NE2 3.26Å |
| 94 | C | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 176.1 | -69 | 0 | 0 | 0 | 0 | 111.6 | L90 L91 D96 Q97 L98 L119 | L90-C94 PolarHBondContact O-N 3.35Å; L90-C94 PolarHBondContact O-SG 2.92Å; L91-C94 PolarHBondContact O-N 3.4Å; C94-D96 VanDerWaalsContact C-N 3.35Å; C94-D96 PolarHBondContact O-N 3.19Å; C94-Q97 PolarHBondContact O-N 2.93Å; C94-Q97 VanDerWaalsContact O-N 3.15Å; C94-L98 PolarHBondContact O-N 3.15Å; C94-L119 HydrophobicContact CB-CD1 4.35Å |
| 95 | M | 93.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.6 | -48.9 | 171.2 | -79.3 | 177.3 | 58.1 | 0 | 0 | 112.7 | L91 L92 Q97 L98 F125 F128 R140 L141 L144 | L91-M95 WeakPolarHBondContact O-CG 3.45Å; L91-M95 PolarHBondContact O-N 3.21Å; L92-M95 HydrophobicContact CD2-CE 4.39Å; L92-M95 HydrophobicContact CD2-SD 4Å; L92-M95 WeakPolarHBondContact O-CB 3.37Å; M95-Q97 PolarHBondContact O-N 3.3Å; M95-L98 WeakPolarHBondContact O-CB 3.45Å; M95-L98 PolarHBondContact O-N 3.4Å; M95-F125 HydrophobicContact CG-CD1 4.5Å; M95-F125 HydrophobicContact CG-CE1 3.45Å; M95-F125 VanDerWaalsContact CG-CE1 3.45Å; M95-F125 HydrophobicContact CG-CZ 3.62Å; M95-F125 HydrophobicContact SD-CE1 4.13Å; M95-F128 HydrophobicContact SD-CE2 3.52Å; M95-F128 VanDerWaalsContact SD-CE2 3.52Å; M95-F128 HydrophobicContact SD-CZ 3.46Å; M95-F128 WeakPolarHBondContact SD-CZ 3.32Å; M95-R140 HydrophobicContact CE-CB 4.32Å; M95-R140 HydrophobicContact CE-CG 3.88Å; M95-L141 HydrophobicContact CE-CB 3.91Å; M95-L141 HydrophobicContact CE-CD1 4.06Å; M95-L141 HydrophobicContact CG-CD1 4.16Å; M95-L141 HydrophobicContact SD-CB 4.36Å; M95-L141 HydrophobicContact SD-CD1 4.15Å; M95-L144 HydrophobicContact CB-CD2 3.68Å; M95-L144 HydrophobicContact CE-CD2 4.05Å; M95-L144 HydrophobicContact CG-CD2 4.03Å; M95-L144 WeakPolarHBondContact O-CD2 3.32Å |
| 96 | D | 92.8 | Very high | 89.4 | Confident | 50 Ų | 50 | 45.6 Ų | 45.6 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -18.7 | -177.1 | -83.8 | -43.5 | 0 | 0 | 0 | 113.2 | L92 F93 C94 K99 R140 | L92-D96 PolarHBondContact O-N 2.63Å; F93-D96 PolarHBondContact O-N 3.21Å; C94-D96 VanDerWaalsContact C-N 3.35Å; C94-D96 PolarHBondContact O-N 3.19Å; D96-K99 WeakPolarHBondContact OD1-CE 3.37Å; D96-K99 IonicContact OD1-NZ 3.93Å; D96-K99 PolarHBondContact OD1-NZ 3.26Å; D96-R140 IonicContact OD1-NH2 2.68Å; D96-R140 IonicContact OD2-CZ 2.92Å; D96-R140 IonicContact OD2-NH2 3.83Å; D96-R140 PolarHBondContact OD2-NH2 3.4Å |
| 97 | Q | 94.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 46 Ų | 46 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -82.2 | -27.6 | 172.3 | -50.5 | -31.4 | -74.6 | 0 | 0 | 113.2 | R62 I63 A66 F93 C94 M95 K99 M100 L115 | R62-Q97 HydrophobicContact CB-CG 4.42Å; R62-Q97 VanDerWaalsContact CB-OE1 3.32Å; I63-Q97 HydrophobicContact CD1-CB 3.52Å; I63-Q97 HydrophobicContact CD1-CG 4.49Å; A66-Q97 HydrophobicContact CB-CB 4.27Å; A66-Q97 HydrophobicContact CB-CG 3.85Å; F93-Q97 HydrophobicContact CE2-CG 4.17Å; F93-Q97 HydrophobicContact CZ-CG 4.15Å; F93-Q97 WeakPolarHBondContact O-CG 3.41Å; F93-Q97 PolarHBondContact O-N 3.3Å; F93-Q97 PolarHBondContact O-NE2 3.26Å; C94-Q97 PolarHBondContact O-N 2.93Å; C94-Q97 VanDerWaalsContact O-N 3.15Å; M95-Q97 PolarHBondContact O-N 3.3Å; Q97-K99 PolarHBondContact O-N 2.91Å; Q97-M100 VanDerWaalsContact O-CB 3.3Å; Q97-M100 WeakPolarHBondContact O-CB 3.46Å; Q97-M100 PolarHBondContact O-N 2.94Å; Q97-L115 HydrophobicContact CB-CD2 4.18Å |
| 98 | L | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -24 | 176.5 | -70 | 176 | 0 | 0 | 0 | 113.2 | C94 M95 M100 I101 L115 L116 L119 F125 L144 L148 | C94-L98 PolarHBondContact O-N 3.15Å; M95-L98 WeakPolarHBondContact O-CB 3.45Å; M95-L98 PolarHBondContact O-N 3.4Å; L98-M100 PolarHBondContact O-N 2.9Å; L98-I101 HydrophobicContact CD2-CD1 4.2Å; L98-I101 WeakPolarHBondContact O-CB 3.23Å; L98-I101 WeakPolarHBondContact O-CG1 3.31Å; L98-I101 PolarHBondContact O-N 3.3Å; L98-L115 HydrophobicContact CD2-CB 4.23Å; L98-L115 HydrophobicContact CD2-CD2 4Å; L98-L115 HydrophobicContact CD2-CG 3.87Å; L98-L115 HydrophobicContact CG-CD2 4.34Å; L98-L116 HydrophobicContact CD1-CD1 4.38Å; L98-L116 HydrophobicContact CD2-CB 3.85Å; L98-L116 HydrophobicContact CD2-CD1 4.19Å; L98-L119 HydrophobicContact CD1-CD1 4.15Å; L98-L119 HydrophobicContact CD2-CD1 4.37Å; L98-L119 HydrophobicContact CG-CD1 4.46Å; L98-F125 HydrophobicContact CD1-CE2 4.36Å; L98-F125 HydrophobicContact CD1-CZ 4.29Å; L98-L144 HydrophobicContact CB-CD2 4.37Å; L98-L144 HydrophobicContact CD1-CD2 4.27Å; L98-L148 HydrophobicContact CB-CD1 4.25Å; L98-L148 WeakPolarHBondContact O-CD2 3.49Å |
| 99 | K | 91.7 | Very high | 89.7 | Confident | 97 Ų | 97 | 44.9 Ų | 44.9 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -54 | -22 | 172.9 | -67.8 | 173.8 | 175.3 | 167 | 0 | 113.7 | D96 Q97 I101 T102 L144 | D96-K99 WeakPolarHBondContact OD1-CE 3.37Å; D96-K99 IonicContact OD1-NZ 3.93Å; D96-K99 PolarHBondContact OD1-NZ 3.26Å; Q97-K99 PolarHBondContact O-N 2.91Å; K99-I101 PolarHBondContact O-N 3.22Å; K99-T102 PolarHBondContact O-N 3.09Å; K99-T102 PolarHBondContact O-OG1 3.5Å; K99-L144 HydrophobicContact CD-CD1 4.45Å; K99-L144 HydrophobicContact CG-CD1 3.56Å |
| 100 | M | 89.7 | Confident | 89.9 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.3 | 174.9 | -166.1 | 67.3 | 70.3 | 0 | 0 | 113.1 | P59 Q97 L98 T102 K103 L106 A112 | P59-M100 HydrophobicContact CB-CE 3.71Å; Q97-M100 VanDerWaalsContact O-CB 3.3Å; Q97-M100 WeakPolarHBondContact O-CB 3.46Å; Q97-M100 PolarHBondContact O-N 2.94Å; L98-M100 PolarHBondContact O-N 2.9Å; M100-T102 PolarHBondContact O-N 2.95Å; M100-K103 PolarHBondContact O-N 3.49Å; M100-L106 HydrophobicContact SD-CB 3.9Å; M100-L106 HydrophobicContact SD-CD1 3.68Å; M100-L106 HydrophobicContact SD-CG 4.45Å; M100-A112 HydrophobicContact CB-CB 3.78Å; M100-A112 HydrophobicContact CG-CB 4.28Å |
| 101 | I | 90.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -59.9 | -28.1 | 177.8 | -63.5 | 173.2 | 0 | 0 | 0 | 111.8 | L98 K99 K103 A112 L116 L148 L153 M157 | L98-I101 HydrophobicContact CD2-CD1 4.2Å; L98-I101 WeakPolarHBondContact O-CB 3.23Å; L98-I101 WeakPolarHBondContact O-CG1 3.31Å; L98-I101 PolarHBondContact O-N 3.3Å; K99-I101 PolarHBondContact O-N 3.22Å; I101-K103 PolarHBondContact O-N 3.46Å; I101-A112 HydrophobicContact CD1-CB 4.46Å; I101-A112 HydrophobicContact CG1-CB 3.74Å; I101-L116 HydrophobicContact CD1-CB 3.83Å; I101-L116 HydrophobicContact CD1-CD2 3.77Å; I101-L116 HydrophobicContact CD1-CG 4.28Å; I101-L148 HydrophobicContact CB-CD2 4.45Å; I101-L153 HydrophobicContact CG2-CD1 3.49Å; I101-L153 VanDerWaalsContact CG2-CD1 3.49Å; I101-M157 HydrophobicContact CD1-SD 4.25Å; I101-M157 HydrophobicContact CG1-SD 4.3Å; I101-M157 HydrophobicContact CG2-CE 3.86Å; I101-M157 HydrophobicContact CG2-SD 3.84Å |
| 102 | T | 88.1 | Confident | 90.2 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -70.2 | 1.7 | 175.1 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | K99 M100 S147 L148 T150 | K99-T102 PolarHBondContact O-N 3.09Å; K99-T102 PolarHBondContact O-OG1 3.5Å; M100-T102 PolarHBondContact O-N 2.95Å; T102-S147 WeakPolarHBondContact CG2-O 3.4Å; T102-L148 HydrophobicContact CG2-CD2 4.13Å; T102-T150 HydrophobicContact CG2-CG2 4.5Å |
| 103 | K | 87.9 | Confident | 90.3 | Very high | 116 Ų | 116 | 48.3 Ų | 48.3 | 50% | 0.504 | 25% | 0.25 | S | S | . | . | trans | -139 | 75.2 | -173.8 | -60.5 | -172.8 | -179.2 | -176 | 0 | 111.5 | M100 I101 D105 L106 | M100-K103 PolarHBondContact O-N 3.49Å; I101-K103 PolarHBondContact O-N 3.46Å; K103-D105 PolarHBondContact O-N 3.32Å; K103-D105 VanDerWaalsContact O-N 3.15Å; K103-L106 HydrophobicContact CB-CB 4.48Å; K103-L106 HydrophobicContact CB-CD1 3.77Å; K103-L106 HydrophobicContact CB-CG 3.99Å; K103-L106 HydrophobicContact CD-CD1 3.58Å; K103-L106 HydrophobicContact CG-CD1 4.32Å; K103-L106 PolarHBondContact O-N 2.98Å; K103-L106 VanDerWaalsContact O-N 3.15Å | ||
| 104 | P | 84.5 | Confident | 90.3 | Very high | 61 Ų | 61 | 50 Ų | 50 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.4 | -176.9 | 23.9 | -34.5 | 0 | 0 | 0 | 114.4 | L106 Y109 | P104-L106 PolarHBondContact O-N 3.04Å; P104-Y109 VanDerWaalsContact CA-CD2 3.49Å; P104-Y109 HydrophobicContact CB-CD2 4.12Å; P104-Y109 HydrophobicContact CB-CE1 4.48Å; P104-Y109 HydrophobicContact CB-CE2 3.82Å |
| 105 | D | 85.5 | Confident | 90.4 | Very high | 152 Ų | 152 | 50 Ų | 50 | 81% | 0.813 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5.8 | -179.6 | -43.9 | -71.3 | 0 | 0 | 0 | 114.2 | K103 | K103-D105 PolarHBondContact O-N 3.32Å; K103-D105 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 87 | Confident | 90.5 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -95.3 | 139.7 | -177 | -66.3 | -175.8 | 0 | 0 | 0 | 112.5 | M100 K103 P104 G108 Y109 | M100-L106 HydrophobicContact SD-CB 3.9Å; M100-L106 HydrophobicContact SD-CD1 3.68Å; M100-L106 HydrophobicContact SD-CG 4.45Å; K103-L106 HydrophobicContact CB-CB 4.48Å; K103-L106 HydrophobicContact CB-CD1 3.77Å; K103-L106 HydrophobicContact CB-CG 3.99Å; K103-L106 HydrophobicContact CD-CD1 3.58Å; K103-L106 HydrophobicContact CG-CD1 4.32Å; K103-L106 PolarHBondContact O-N 2.98Å; K103-L106 VanDerWaalsContact O-N 3.15Å; P104-L106 PolarHBondContact O-N 3.04Å; L106-G108 PolarHBondContact O-N 3.02Å; L106-Y109 WeakPolarHBondContact O-CB 3.42Å; L106-Y109 PolarHBondContact O-N 3.46Å |
| 107 | P | 83 | Confident | 90.5 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 69% | 0.688 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -15.9 | -178 | -27.8 | 35.7 | 0 | 0 | 0 | 116.2 | Q60 | Q60-P107 PolarHBondContact NE2-O 3.47Å; Q60-P107 PolarHBondContact OE1-O 3.48Å |
| 108 | G | 85.6 | Confident | 90.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -3.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q60 L106 D111 A112 | Q60-G108 VanDerWaalsContact OE1-N 3.09Å; L106-G108 PolarHBondContact O-N 3.02Å; G108-D111 PolarHBondContact O-N 2.92Å; G108-A112 WeakPolarHBondContact O-CB 3.42Å; G108-A112 PolarHBondContact O-N 3.49Å |
| 109 | Y | 90.5 | Very high | 90.4 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.6 | -52.6 | -173.8 | 177.7 | -107 | 0 | 0 | 0 | 113.3 | P104 L106 D111 A112 A113 M157 | P104-Y109 VanDerWaalsContact CA-CD2 3.49Å; P104-Y109 HydrophobicContact CB-CD2 4.12Å; P104-Y109 HydrophobicContact CB-CE1 4.48Å; P104-Y109 HydrophobicContact CB-CE2 3.82Å; L106-Y109 WeakPolarHBondContact O-CB 3.42Å; L106-Y109 PolarHBondContact O-N 3.46Å; Y109-D111 VanDerWaalsContact C-N 3.31Å; Y109-D111 PolarHBondContact O-N 3.34Å; Y109-A112 CarbonylContact O-C 3.6Å; Y109-A112 WeakPolarHBondContact O-CA 3.38Å; Y109-A112 PolarHBondContact O-N 2.97Å; Y109-A113 PolarHBondContact O-N 3.33Å; Y109-M157 HydrophobicContact CE1-CE 4.31Å; Y109-M157 HydrophobicContact CE2-CE 3.73Å; Y109-M157 VanDerWaalsContact CZ-CE 3.44Å; Y109-M157 WeakPolarHBondContact OH-CE 3.47Å |
| 110 | F | 91.4 | Very high | 90.5 | Very high | 162 Ų | 162 | 45.6 Ų | 45.6 | 71% | 0.711 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.9 | -31.2 | 179.5 | -63.7 | -71.8 | 0 | 0 | 0 | 113 | A112 Y114 | F110-A112 VanDerWaalsContact C-N 3.32Å; F110-Y114 PolarHBondContact O-N 2.92Å; F110-Y114 VanDerWaalsContact O-N 3.08Å |
| 111 | D | 93.5 | Very high | 90.5 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 171.7 | -73.4 | -44.3 | 0 | 0 | 0 | 111.4 | K25 Q60 I63 L64 C67 G108 Y109 L115 | K25-D111 IonicContact NZ-OD1 2.87Å; K25-D111 PolarHBondContact NZ-OD1 3.23Å; Q60-D111 PolarHBondContact NE2-OD2 3.47Å; I63-D111 HydrophobicContact CB-CB 4.42Å; I63-D111 HydrophobicContact CG1-CB 3.69Å; I63-D111 HydrophobicContact CG2-CB 3.85Å; L64-D111 WeakPolarHBondContact CD2-OD1 3.31Å; L64-D111 WeakPolarHBondContact CD2-OD2 3.21Å; C67-D111 PolarHBondContact SG-O 3.18Å; G108-D111 PolarHBondContact O-N 2.92Å; Y109-D111 VanDerWaalsContact C-N 3.31Å; Y109-D111 PolarHBondContact O-N 3.34Å; D111-L115 WeakPolarHBondContact O-CB 3.34Å; D111-L115 PolarHBondContact O-N 2.85Å |
| 112 | A | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.5 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | I63 M100 I101 G108 Y109 F110 L115 L116 | I63-A112 HydrophobicContact CD1-CB 3.73Å; I63-A112 HydrophobicContact CG1-CB 4.1Å; M100-A112 HydrophobicContact CB-CB 3.78Å; M100-A112 HydrophobicContact CG-CB 4.28Å; I101-A112 HydrophobicContact CD1-CB 4.46Å; I101-A112 HydrophobicContact CG1-CB 3.74Å; G108-A112 WeakPolarHBondContact O-CB 3.42Å; G108-A112 PolarHBondContact O-N 3.49Å; Y109-A112 CarbonylContact O-C 3.6Å; Y109-A112 WeakPolarHBondContact O-CA 3.38Å; Y109-A112 PolarHBondContact O-N 2.97Å; F110-A112 VanDerWaalsContact C-N 3.32Å; A112-L115 PolarHBondContact O-N 2.99Å; A112-L116 WeakPolarHBondContact O-CB 3.49Å; A112-L116 PolarHBondContact O-N 2.81Å |
| 113 | A | 92.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y109 L116 E117 M157 | Y109-A113 PolarHBondContact O-N 3.33Å; A113-L116 PolarHBondContact O-N 2.92Å; A113-E117 WeakPolarHBondContact O-CB 3.31Å; A113-E117 PolarHBondContact O-N 3.32Å; A113-M157 HydrophobicContact CB-CG 4.3Å; A113-M157 HydrophobicContact CB-SD 3.54Å; A113-M157 VanDerWaalsContact CB-SD 3.54Å |
| 114 | Y | 94 | Very high | 90.5 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 172.6 | 175.8 | -88.6 | 0 | 0 | 0 | 112.4 | K25 S29 C67 D71 F110 L116 E117 N118 | K25-Y114 HydrophobicContact CD-CD1 4.42Å; K25-Y114 HydrophobicContact CD-CE1 4.45Å; K25-Y114 HydrophobicContact CG-CE1 4.34Å; S29-Y114 WeakPolarHBondContact CB-OH 3.38Å; C67-Y114 HydrophobicContact CB-CD1 4.02Å; C67-Y114 HydrophobicContact CB-CE1 4.09Å; D71-Y114 VanDerWaalsContact CG-OH 3.32Å; D71-Y114 PolarHBondContact OD1-OH 2.82Å; D71-Y114 WeakPolarHBondContact OD2-CE1 3.49Å; D71-Y114 PolarHBondContact OD2-OH 2.96Å; F110-Y114 PolarHBondContact O-N 2.92Å; F110-Y114 VanDerWaalsContact O-N 3.08Å; Y114-L116 VanDerWaalsContact C-N 3.31Å; Y114-L116 PolarHBondContact O-N 3.07Å; Y114-E117 PolarHBondContact O-N 3.47Å; Y114-N118 HydrophobicContact CE1-CB 4.5Å; Y114-N118 WeakPolarHBondContact O-CB 3.35Å; Y114-N118 PolarHBondContact O-N 3.03Å; Y114-N118 PolarHBondContact OH-ND2 2.96Å |
| 115 | L | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 177.2 | 179.9 | 61.6 | 0 | 0 | 0 | 111.7 | I63 A66 A70 Q97 L98 D111 A112 L119 | I63-L115 HydrophobicContact CD1-CB 4.27Å; I63-L115 HydrophobicContact CD1-CD2 3.49Å; I63-L115 VanDerWaalsContact CD1-CD2 3.49Å; A66-L115 HydrophobicContact CB-CD1 4.32Å; A66-L115 HydrophobicContact CB-CD2 3.75Å; A66-L115 WeakPolarHBondContact O-CD1 3.33Å; A70-L115 HydrophobicContact CB-CD1 3.53Å; Q97-L115 HydrophobicContact CB-CD2 4.18Å; L98-L115 HydrophobicContact CD2-CB 4.23Å; L98-L115 HydrophobicContact CD2-CD2 4Å; L98-L115 HydrophobicContact CD2-CG 3.87Å; L98-L115 HydrophobicContact CG-CD2 4.34Å; D111-L115 WeakPolarHBondContact O-CB 3.34Å; D111-L115 PolarHBondContact O-N 2.85Å; A112-L115 PolarHBondContact O-N 2.99Å; L115-L119 HydrophobicContact CD1-CD1 3.72Å; L115-L119 HydrophobicContact CD1-CG 4.04Å; L115-L119 HydrophobicContact CG-CD1 3.77Å; L115-L119 HydrophobicContact CG-CG 4.46Å; L115-L119 WeakPolarHBondContact O-CB 3.38Å; L115-L119 WeakPolarHBondContact O-CD1 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 2.95Å |
| 116 | L | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 176.8 | -178.3 | 68.7 | 0 | 0 | 0 | 111.8 | L98 I101 A112 A113 Y114 N118 L119 S120 M157 F160 V161 I164 | L98-L116 HydrophobicContact CD1-CD1 4.38Å; L98-L116 HydrophobicContact CD2-CB 3.85Å; L98-L116 HydrophobicContact CD2-CD1 4.19Å; I101-L116 HydrophobicContact CD1-CB 3.83Å; I101-L116 HydrophobicContact CD1-CD2 3.77Å; I101-L116 HydrophobicContact CD1-CG 4.28Å; A112-L116 WeakPolarHBondContact O-CB 3.49Å; A112-L116 PolarHBondContact O-N 2.81Å; A113-L116 PolarHBondContact O-N 2.92Å; Y114-L116 VanDerWaalsContact C-N 3.31Å; Y114-L116 PolarHBondContact O-N 3.07Å; L116-N118 PolarHBondContact O-N 3.47Å; L116-L119 PolarHBondContact O-N 3.14Å; L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 2.74Å; L116-M157 HydrophobicContact CD2-CB 4.22Å; L116-M157 HydrophobicContact CD2-CG 4.46Å; L116-F160 HydrophobicContact CD2-CB 3.9Å; L116-F160 HydrophobicContact CG-CB 3.77Å; L116-V161 HydrophobicContact CD1-CG2 4.25Å; L116-V161 HydrophobicContact CD2-CG2 3.73Å; L116-I164 HydrophobicContact CD1-CD1 3.69Å |
| 117 | E | 94.3 | Very high | 91.1 | Very high | 58 Ų | 58 | 38 Ų | 38 | 27% | 0.271 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.2 | -50.5 | 177.2 | 176.2 | 156.4 | -136.5 | 0 | 0 | 111.1 | A113 Y114 S120 S121 R156 F160 | A113-E117 WeakPolarHBondContact O-CB 3.31Å; A113-E117 PolarHBondContact O-N 3.32Å; Y114-E117 PolarHBondContact O-N 3.47Å; E117-S120 WeakPolarHBondContact O-CB 3.44Å; E117-S120 PolarHBondContact O-N 2.93Å; E117-S121 PolarHBondContact O-N 3.42Å; E117-S121 PolarHBondContact O-OG 3.02Å; E117-R156 IonicContact OE1-CZ 3.62Å; E117-R156 IonicContact OE1-NE 3.95Å; E117-R156 IonicContact OE1-NH2 2.7Å; E117-R156 PolarHBondContact OE1-NH2 3.45Å; E117-R156 IonicContact OE2-CZ 3.59Å; E117-R156 IonicContact OE2-NH2 3.75Å; E117-R156 PolarHBondContact OE2-NH2 3.46Å; E117-F160 HydrophobicContact CB-CD2 3.94Å; E117-F160 HydrophobicContact CB-CE2 3.59Å; E117-F160 HydrophobicContact CB-CZ 3.93Å; E117-F160 HydrophobicContact CG-CD2 4.45Å; E117-F160 HydrophobicContact CG-CE1 4.13Å; E117-F160 HydrophobicContact CG-CE2 3.69Å; E117-F160 HydrophobicContact CG-CZ 3.52Å; E117-F160 WeakPolarHBondContact OE1-CZ 3.39Å |
| 118 | N | 92.2 | Very high | 91.4 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 179 | -165.7 | -38.2 | 0 | 0 | 0 | 112.5 | D71 Y114 L116 S120 S121 S122 | D71-N118 PolarHBondContact OD1-ND2 2.94Å; D71-N118 PolarHBondContact OD2-ND2 3.42Å; Y114-N118 HydrophobicContact CE1-CB 4.5Å; Y114-N118 WeakPolarHBondContact O-CB 3.35Å; Y114-N118 PolarHBondContact O-N 3.03Å; Y114-N118 PolarHBondContact OH-ND2 2.96Å; L116-N118 PolarHBondContact O-N 3.47Å; N118-S120 PolarHBondContact O-N 2.97Å; N118-S121 PolarHBondContact O-N 2.84Å; N118-S122 VanDerWaalsContact O-CB 3.29Å; N118-S122 WeakPolarHBondContact O-CB 3.44Å; N118-S122 PolarHBondContact O-N 3.31Å; N118-S122 PolarHBondContact O-OG 3.1Å |
| 119 | L | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -25.4 | 178.3 | -70.1 | 170.7 | 0 | 0 | 0 | 113.3 | A70 C94 L98 L115 L116 T124 F125 | A70-L119 HydrophobicContact CB-CD2 3.97Å; A70-L119 HydrophobicContact CB-CG 4.22Å; C94-L119 HydrophobicContact CB-CD1 4.35Å; L98-L119 HydrophobicContact CD1-CD1 4.15Å; L98-L119 HydrophobicContact CD2-CD1 4.37Å; L98-L119 HydrophobicContact CG-CD1 4.46Å; L115-L119 HydrophobicContact CD1-CD1 3.72Å; L115-L119 HydrophobicContact CD1-CG 4.04Å; L115-L119 HydrophobicContact CG-CD1 3.77Å; L115-L119 HydrophobicContact CG-CG 4.46Å; L115-L119 WeakPolarHBondContact O-CB 3.38Å; L115-L119 WeakPolarHBondContact O-CD1 3.43Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 2.95Å; L116-L119 PolarHBondContact O-N 3.14Å; L119-T124 HydrophobicContact CD2-CG2 3.64Å; L119-T124 PolarHBondContact O-N 3.37Å; L119-F125 HydrophobicContact CB-CE2 4.01Å; L119-F125 HydrophobicContact CD1-CE2 3.99Å; L119-F125 HydrophobicContact CD1-CZ 3.83Å; L119-F125 HydrophobicContact CD2-CZ 4.5Å; L119-F125 HydrophobicContact CG-CE2 4.44Å |
| 120 | S | 93.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.9 | -59 | 172.5 | -156.1 | 0 | 0 | 0 | 0 | 110.9 | L116 E117 N118 S122 K123 F160 E163 | L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 2.74Å; E117-S120 WeakPolarHBondContact O-CB 3.44Å; E117-S120 PolarHBondContact O-N 2.93Å; N118-S120 PolarHBondContact O-N 2.97Å; S120-S122 PolarHBondContact O-N 3.22Å; S120-K123 WeakPolarHBondContact O-CA 3.32Å; S120-K123 PolarHBondContact O-N 3.03Å; S120-F160 PolarHBondContact OG-O 3Å; S120-E163 WeakPolarHBondContact CB-OE2 3.27Å; S120-E163 WeakPolarHBondContact OG-CB 3.33Å; S120-E163 PolarHBondContact OG-OE2 3.11Å |
| 121 | S | 90.5 | Very high | 91.1 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 57% | 0.566 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -63.7 | -37.2 | -175 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | E117 N118 K123 | E117-S121 PolarHBondContact O-N 3.42Å; E117-S121 PolarHBondContact O-OG 3.02Å; N118-S121 PolarHBondContact O-N 2.84Å; S121-K123 VanDerWaalsContact C-N 3.25Å; S121-K123 PolarHBondContact O-N 3.36Å |
| 122 | S | 87.6 | Confident | 90.5 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.6 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | N118 S120 T124 | N118-S122 VanDerWaalsContact O-CB 3.29Å; N118-S122 WeakPolarHBondContact O-CB 3.44Å; N118-S122 PolarHBondContact O-N 3.31Å; N118-S122 PolarHBondContact O-OG 3.1Å; S120-S122 PolarHBondContact O-N 3.22Å; S122-T124 PolarHBondContact O-N 3.46Å; S122-T124 WeakPolarHBondContact OG-CB 3.42Å; S122-T124 PolarHBondContact OG-OG1 2.95Å |
| 123 | K | 90.1 | Very high | 90.2 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | trans | 49 | 27.9 | -171.9 | -51.9 | -160.9 | -178.1 | -161.1 | 0 | 114 | S120 S121 F125 F126 D167 | S120-K123 WeakPolarHBondContact O-CA 3.32Å; S120-K123 PolarHBondContact O-N 3.03Å; S121-K123 VanDerWaalsContact C-N 3.25Å; S121-K123 PolarHBondContact O-N 3.36Å; K123-F125 PolarHBondContact O-N 3Å; K123-F126 HydrophobicContact CB-CD2 3.87Å; K123-F126 HydrophobicContact CB-CE2 4.09Å; K123-F126 HydrophobicContact CB-CG 4.23Å; K123-F126 HydrophobicContact CD-CE1 4.44Å; K123-F126 HydrophobicContact CD-CE2 4.19Å; K123-F126 HydrophobicContact CD-CZ 4.04Å; K123-F126 WeakPolarHBondContact O-CB 3.38Å; K123-F126 WeakPolarHBondContact O-CD2 3.47Å; K123-F126 PolarHBondContact O-N 3.24Å; K123-D167 IonicContact NZ-OD2 2.78Å; K123-D167 PolarHBondContact NZ-OD2 3.32Å | ||
| 124 | T | 89.3 | Confident | 90 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -51.7 | -31.5 | -168.8 | -79.3 | 0 | 0 | 0 | 0 | 113.9 | L73 L91 L119 S122 F126 R127 | L73-T124 HydrophobicContact CB-CG2 4.36Å; L73-T124 HydrophobicContact CD1-CG2 4.16Å; L91-T124 HydrophobicContact CD2-CG2 3.39Å; L119-T124 HydrophobicContact CD2-CG2 3.64Å; L119-T124 PolarHBondContact O-N 3.37Å; S122-T124 PolarHBondContact O-N 3.46Å; S122-T124 WeakPolarHBondContact OG-CB 3.42Å; S122-T124 PolarHBondContact OG-OG1 2.95Å; T124-F126 VanDerWaalsContact C-N 3.25Å; T124-F126 PolarHBondContact O-N 3.3Å; T124-R127 WeakPolarHBondContact O-CB 3.45Å; T124-R127 WeakPolarHBondContact O-CG 3.35Å; T124-R127 PolarHBondContact O-N 2.64Å |
| 125 | F | 91.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -69 | -12.8 | 177.5 | -68.7 | -55 | 0 | 0 | 0 | 115.6 | M95 L98 L119 K123 R127 F128 L141 I164 L168 | M95-F125 HydrophobicContact CG-CD1 4.5Å; M95-F125 HydrophobicContact CG-CE1 3.45Å; M95-F125 VanDerWaalsContact CG-CE1 3.45Å; M95-F125 HydrophobicContact CG-CZ 3.62Å; M95-F125 HydrophobicContact SD-CE1 4.13Å; L98-F125 HydrophobicContact CD1-CE2 4.36Å; L98-F125 HydrophobicContact CD1-CZ 4.29Å; L119-F125 HydrophobicContact CB-CE2 4.01Å; L119-F125 HydrophobicContact CD1-CE2 3.99Å; L119-F125 HydrophobicContact CD1-CZ 3.83Å; L119-F125 HydrophobicContact CD2-CZ 4.5Å; L119-F125 HydrophobicContact CG-CE2 4.44Å; K123-F125 PolarHBondContact O-N 3Å; F125-R127 PolarHBondContact O-N 2.97Å; F125-F128 HydrophobicContact CB-CD2 4.45Å; F125-F128 HydrophobicContact CD1-CD2 4.1Å; F125-F128 AromaticContact CD1-CE2 3.52Å; F125-F128 HydrophobicContact CD1-CE2 3.52Å; F125-F128 AromaticContact CD1-CZ 3.84Å; F125-F128 HydrophobicContact CD1-CZ 3.84Å; F125-F128 HydrophobicContact CE1-CE2 4.07Å; F125-F128 HydrophobicContact CE1-CZ 4.11Å; F125-F128 HydrophobicContact CG-CE2 4.42Å; F125-F128 VanDerWaalsContact O-CB 3.31Å; F125-F128 WeakPolarHBondContact O-CB 3.16Å; F125-F128 PolarHBondContact O-N 3.18Å; F125-L141 HydrophobicContact CB-CD2 3.84Å; F125-L141 HydrophobicContact CD1-CD1 4.49Å; F125-L141 HydrophobicContact CD1-CD2 4.11Å; F125-L141 HydrophobicContact CD2-CD1 4.29Å; F125-L141 HydrophobicContact CD2-CD2 4.16Å; F125-L141 HydrophobicContact CE1-CD1 4.4Å; F125-L141 HydrophobicContact CE2-CD1 4.15Å; F125-L141 HydrophobicContact CG-CD1 4.45Å; F125-L141 HydrophobicContact CG-CD2 3.77Å; F125-L141 HydrophobicContact CZ-CD1 4.2Å; F125-I164 HydrophobicContact CD2-CD1 4.34Å; F125-I164 HydrophobicContact CD2-CG2 3.79Å; F125-I164 HydrophobicContact CE2-CD1 4.3Å; F125-I164 HydrophobicContact CE2-CG2 4.46Å; F125-L168 HydrophobicContact CB-CD2 4.09Å |
| 126 | F | 90.9 | Very high | 89.6 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -58.4 | -27.4 | 171.4 | -81.7 | -137.7 | 0 | 0 | 0 | 111.5 | K123 T124 F128 L129 D167 L168 E171 | K123-F126 HydrophobicContact CB-CD2 3.87Å; K123-F126 HydrophobicContact CB-CE2 4.09Å; K123-F126 HydrophobicContact CB-CG 4.23Å; K123-F126 HydrophobicContact CD-CE1 4.44Å; K123-F126 HydrophobicContact CD-CE2 4.19Å; K123-F126 HydrophobicContact CD-CZ 4.04Å; K123-F126 WeakPolarHBondContact O-CB 3.38Å; K123-F126 WeakPolarHBondContact O-CD2 3.47Å; K123-F126 PolarHBondContact O-N 3.24Å; T124-F126 VanDerWaalsContact C-N 3.25Å; T124-F126 PolarHBondContact O-N 3.3Å; F126-F128 PolarHBondContact O-N 3.13Å; F126-L129 WeakPolarHBondContact O-CB 3.42Å; F126-L129 PolarHBondContact O-N 3.17Å; F126-D167 HydrophobicContact CE2-CB 4.23Å; F126-D167 HydrophobicContact CZ-CB 4.11Å; F126-L168 HydrophobicContact CD2-CB 4.44Å; F126-L168 HydrophobicContact CD2-CD1 3.75Å; F126-L168 HydrophobicContact CE2-CB 4.14Å; F126-L168 HydrophobicContact CE2-CD1 4.19Å; F126-L168 HydrophobicContact CG-CD1 4.3Å; F126-E171 HydrophobicContact CD1-CG 4.42Å; F126-E171 HydrophobicContact CE1-CG 3.63Å; F126-E171 HydrophobicContact CZ-CG 3.96Å |
| 127 | R | 86.8 | Confident | 89.5 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -54.8 | -25.2 | 173.2 | -62.6 | -177.5 | -175.1 | -149.4 | -2.7 | 112.5 | L73 E76 L91 T124 F125 L129 H130 | L73-R127 PolarHBondContact O-NH2 2.87Å; E76-R127 PolarHBondContact O-NH2 3.07Å; E76-R127 IonicContact OE2-CZ 2.76Å; E76-R127 IonicContact OE2-NH1 3.96Å; E76-R127 PolarHBondContact OE2-NH1 3.43Å; L91-R127 HydrophobicContact CD1-CB 4.1Å; T124-R127 WeakPolarHBondContact O-CB 3.45Å; T124-R127 WeakPolarHBondContact O-CG 3.35Å; T124-R127 PolarHBondContact O-N 2.64Å; F125-R127 PolarHBondContact O-N 2.97Å; R127-L129 VanDerWaalsContact C-N 3.26Å; R127-L129 PolarHBondContact O-N 3.35Å; R127-H130 PolarHBondContact O-N 3.18Å |
| 128 | F | 89.5 | Confident | 89.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -65.1 | -21.7 | 174.4 | -70.4 | -18.1 | 0 | 0 | 0 | 114.9 | L91 M95 F125 F126 H130 L131 C134 L137 L141 | L91-F128 HydrophobicContact CB-CE1 3.49Å; L91-F128 VanDerWaalsContact CB-CE1 3.49Å; L91-F128 HydrophobicContact CB-CZ 3.82Å; L91-F128 HydrophobicContact CD1-CD1 3.83Å; L91-F128 HydrophobicContact CD1-CE1 3.54Å; L91-F128 HydrophobicContact CD1-CZ 4.47Å; L91-F128 HydrophobicContact CG-CE1 4.13Å; M95-F128 HydrophobicContact SD-CE2 3.52Å; M95-F128 VanDerWaalsContact SD-CE2 3.52Å; M95-F128 HydrophobicContact SD-CZ 3.46Å; M95-F128 WeakPolarHBondContact SD-CZ 3.32Å; F125-F128 HydrophobicContact CB-CD2 4.45Å; F125-F128 HydrophobicContact CD1-CD2 4.1Å; F125-F128 AromaticContact CD1-CE2 3.52Å; F125-F128 HydrophobicContact CD1-CE2 3.52Å; F125-F128 AromaticContact CD1-CZ 3.84Å; F125-F128 HydrophobicContact CD1-CZ 3.84Å; F125-F128 HydrophobicContact CE1-CE2 4.07Å; F125-F128 HydrophobicContact CE1-CZ 4.11Å; F125-F128 HydrophobicContact CG-CE2 4.42Å; F125-F128 VanDerWaalsContact O-CB 3.31Å; F125-F128 WeakPolarHBondContact O-CB 3.16Å; F125-F128 PolarHBondContact O-N 3.18Å; F126-F128 PolarHBondContact O-N 3.13Å; F128-H130 PolarHBondContact O-N 3.39Å; F128-L131 HydrophobicContact CD1-CD1 3.95Å; F128-L131 HydrophobicContact CE1-CD1 4.46Å; F128-C134 WeakPolarHBondContact O-CB 3.32Å; F128-C134 PolarHBondContact O-SG 2.86Å; F128-L137 HydrophobicContact CD1-CB 4.5Å; F128-L137 HydrophobicContact CD1-CD1 3.94Å; F128-L137 HydrophobicContact CD2-CB 4.34Å; F128-L137 HydrophobicContact CE1-CD1 4.3Å; F128-L137 HydrophobicContact CE1-CD2 4.24Å; F128-L137 HydrophobicContact CG-CB 4.26Å; F128-L137 HydrophobicContact CG-CD1 4.37Å; F128-L137 HydrophobicContact CZ-CD2 4.4Å; F128-L141 HydrophobicContact CD2-CD2 4.02Å; F128-L141 HydrophobicContact CE2-CB 4.3Å; F128-L141 HydrophobicContact CE2-CD2 3.99Å |
| 129 | L | 89.2 | Confident | 89.6 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -71.4 | -14.1 | 176.4 | -57.3 | 178.2 | 0 | 0 | 0 | 112.6 | F126 R127 L138 L168 E171 V172 | F126-L129 WeakPolarHBondContact O-CB 3.42Å; F126-L129 PolarHBondContact O-N 3.17Å; R127-L129 VanDerWaalsContact C-N 3.26Å; R127-L129 PolarHBondContact O-N 3.35Å; L129-L138 HydrophobicContact CD2-CD1 4.26Å; L129-L138 HydrophobicContact CD2-CD2 4.32Å; L129-L168 HydrophobicContact CD1-CD1 4.18Å; L129-L168 HydrophobicContact CD2-CD1 4.29Å; L129-L168 HydrophobicContact CG-CD1 4.12Å; L129-E171 HydrophobicContact CD1-CB 3.66Å; L129-V172 HydrophobicContact CD2-CG2 4.27Å |
| 130 | H | 86.5 | Confident | 89.6 | Confident | 168 Ų | 168 | 52.1 Ų | 52.1 | 78% | 0.778 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -109.8 | 3.3 | -178.7 | -55 | -51.4 | 0 | 0 | 0 | 113.9 | R127 F128 | R127-H130 PolarHBondContact O-N 3.18Å; F128-H130 PolarHBondContact O-N 3.39Å |
| 131 | L | 85.6 | Confident | 89.7 | Confident | 39 Ų | 39 | 52 Ų | 52 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -100.7 | 148 | -178.4 | -66.8 | -179.2 | 0 | 0 | 0 | 113.2 | K88 F128 D133 C134 L137 | K88-L131 HydrophobicContact CB-CD1 3.95Å; K88-L131 HydrophobicContact CG-CD1 4.24Å; F128-L131 HydrophobicContact CD1-CD1 3.95Å; F128-L131 HydrophobicContact CE1-CD1 4.46Å; L131-D133 PolarHBondContact O-N 3.33Å; L131-C134 WeakPolarHBondContact O-CB 3.34Å; L131-C134 PolarHBondContact O-N 2.84Å; L131-C134 VanDerWaalsContact O-N 3.11Å; L131-L137 HydrophobicContact CB-CD1 3.95Å; L131-L137 HydrophobicContact CD1-CD1 3.89Å |
| 132 | D | 79.5 | Confident | 90 | Very high | 149 Ų | 149 | 48.2 Ų | 48.2 | 80% | 0.797 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 135.8 | 165.5 | -71.9 | -43 | 0 | 0 | 0 | 110.9 | K88 C134 | K88-D132 PolarHBondContact NZ-O 2.95Å; D132-C134 VanDerWaalsContact C-N 3.32Å |
| 133 | D | 86.8 | Confident | 90.4 | Very high | 101 Ų | 101 | 52 Ų | 52 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 37 | -173.4 | 159.7 | 65.5 | 0 | 0 | 0 | 113.2 | K88 L131 S135 G136 L137 | K88-D133 IonicContact NZ-OD2 2.69Å; K88-D133 PolarHBondContact NZ-OD2 3.35Å; L131-D133 PolarHBondContact O-N 3.33Å; D133-S135 PolarHBondContact O-N 3.3Å; D133-G136 PolarHBondContact O-N 2.94Å; D133-G136 WeakPolarHBondContact OD1-CA 3.41Å; D133-G136 PolarHBondContact OD1-N 3.42Å; D133-L137 WeakPolarHBondContact O-CG 3.48Å; D133-L137 PolarHBondContact O-N 2.81Å |
| 134 | C | 89 | Confident | 90.6 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -43.4 | -46.4 | 166.8 | 178 | 0 | 0 | 0 | 0 | 113.3 | F128 L131 D132 G136 L137 L138 | F128-C134 WeakPolarHBondContact O-CB 3.32Å; F128-C134 PolarHBondContact O-SG 2.86Å; L131-C134 WeakPolarHBondContact O-CB 3.34Å; L131-C134 PolarHBondContact O-N 2.84Å; L131-C134 VanDerWaalsContact O-N 3.11Å; D132-C134 VanDerWaalsContact C-N 3.32Å; C134-G136 PolarHBondContact O-N 3Å; C134-L137 PolarHBondContact O-N 3.03Å; C134-L138 WeakPolarHBondContact O-CB 3.42Å; C134-L138 WeakPolarHBondContact O-CG 3.21Å; C134-L138 PolarHBondContact O-N 3.39Å |
| 135 | S | 89.4 | Confident | 90.9 | Very high | 70 Ų | 70 | 47.9 Ų | 47.9 | 49% | 0.49 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.7 | -40.2 | -177.5 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | D133 L139 | D133-S135 PolarHBondContact O-N 3.3Å; S135-L139 WeakPolarHBondContact O-CB 3.41Å; S135-L139 PolarHBondContact O-N 3.37Å; S135-L139 VanDerWaalsContact O-N 3.11Å |
| 136 | G | 91.4 | Very high | 91 | Very high | 30 Ų | 30 | 48 Ų | 48 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D133 C134 L139 R140 | D133-G136 PolarHBondContact O-N 2.94Å; D133-G136 WeakPolarHBondContact OD1-CA 3.41Å; D133-G136 PolarHBondContact OD1-N 3.42Å; C134-G136 PolarHBondContact O-N 3Å; G136-L139 PolarHBondContact O-N 3.46Å; G136-R140 WeakPolarHBondContact O-CB 3.5Å; G136-R140 PolarHBondContact O-N 3.21Å |
| 137 | L | 92.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -52.5 | 173.3 | -75.4 | 174.4 | 0 | 0 | 0 | 112.3 | K88 L92 F128 L131 D133 C134 L139 R140 L141 | K88-L137 HydrophobicContact CD-CD1 4.11Å; K88-L137 HydrophobicContact CG-CD1 4.21Å; K88-L137 HydrophobicContact CG-CD2 4.25Å; L92-L137 HydrophobicContact CD1-CD2 4.09Å; L92-L137 HydrophobicContact CD2-CD2 3.75Å; L92-L137 HydrophobicContact CG-CD2 4.02Å; F128-L137 HydrophobicContact CD1-CB 4.5Å; F128-L137 HydrophobicContact CD1-CD1 3.94Å; F128-L137 HydrophobicContact CD2-CB 4.34Å; F128-L137 HydrophobicContact CE1-CD1 4.3Å; F128-L137 HydrophobicContact CE1-CD2 4.24Å; F128-L137 HydrophobicContact CG-CB 4.26Å; F128-L137 HydrophobicContact CG-CD1 4.37Å; F128-L137 HydrophobicContact CZ-CD2 4.4Å; L131-L137 HydrophobicContact CB-CD1 3.95Å; L131-L137 HydrophobicContact CD1-CD1 3.89Å; D133-L137 WeakPolarHBondContact O-CG 3.48Å; D133-L137 PolarHBondContact O-N 2.81Å; C134-L137 PolarHBondContact O-N 3.03Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.32Å; L137-R140 PolarHBondContact O-N 2.58Å; L137-R140 VanDerWaalsContact O-N 3.16Å; L137-L141 PolarHBondContact O-N 3.33Å |
| 138 | L | 94.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.8 | -48.4 | 175.7 | -72.8 | 173.5 | 0 | 0 | 0 | 110.8 | L129 C134 R140 L141 Y142 L168 V172 L179 | L129-L138 HydrophobicContact CD2-CD1 4.26Å; L129-L138 HydrophobicContact CD2-CD2 4.32Å; C134-L138 WeakPolarHBondContact O-CB 3.42Å; C134-L138 WeakPolarHBondContact O-CG 3.21Å; C134-L138 PolarHBondContact O-N 3.39Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.2Å; L138-L141 PolarHBondContact O-N 3.07Å; L138-Y142 HydrophobicContact CD2-CE2 4.48Å; L138-Y142 VanDerWaalsContact O-CD2 3.31Å; L138-Y142 WeakPolarHBondContact O-CD2 3.4Å; L138-Y142 PolarHBondContact O-N 2.76Å; L138-L168 HydrophobicContact CD2-CD1 4.45Å; L138-L168 HydrophobicContact CD2-CD2 3.78Å; L138-L168 HydrophobicContact CD2-CG 4.06Å; L138-V172 HydrophobicContact CD1-CG1 3.98Å; L138-V172 HydrophobicContact CD1-CG2 3.85Å; L138-V172 HydrophobicContact CD2-CG2 4.35Å; L138-L179 HydrophobicContact CB-CD2 4.48Å |
| 139 | L | 94.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 179.5 | -172.4 | 68.1 | 0 | 0 | 0 | 112.7 | S135 G136 L137 K143 E178 L179 L182 | S135-L139 WeakPolarHBondContact O-CB 3.41Å; S135-L139 PolarHBondContact O-N 3.37Å; S135-L139 VanDerWaalsContact O-N 3.11Å; G136-L139 PolarHBondContact O-N 3.46Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.32Å; L139-K143 VanDerWaalsContact CD2-NZ 3.26Å; L139-K143 HydrophobicContact CG-CD 4.18Å; L139-K143 WeakPolarHBondContact O-CB 3.41Å; L139-K143 WeakPolarHBondContact O-CD 3.3Å; L139-K143 WeakPolarHBondContact O-CG 3.5Å; L139-K143 PolarHBondContact O-N 2.87Å; L139-K143 VanDerWaalsContact O-N 3.09Å; L139-E178 HydrophobicContact CD1-CB 4.08Å; L139-E178 HydrophobicContact CD2-CB 3.79Å; L139-E178 WeakPolarHBondContact CD2-OE2 3.26Å; L139-L179 HydrophobicContact CD1-CB 4.31Å; L139-L182 HydrophobicContact CD1-CB 4.41Å; L139-L182 HydrophobicContact CD1-CD2 4.04Å |
| 140 | R | 94.6 | Very high | 91.4 | Very high | 113 Ų | 113 | 44.9 Ų | 44.9 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.2 | -37.7 | 173 | -174.1 | 175.4 | 173.6 | 166.2 | -5.2 | 111.6 | M95 D96 G136 L137 L138 L144 | M95-R140 HydrophobicContact CE-CB 4.32Å; M95-R140 HydrophobicContact CE-CG 3.88Å; D96-R140 IonicContact OD1-NH2 2.68Å; D96-R140 IonicContact OD2-CZ 2.92Å; D96-R140 IonicContact OD2-NH2 3.83Å; D96-R140 PolarHBondContact OD2-NH2 3.4Å; G136-R140 WeakPolarHBondContact O-CB 3.5Å; G136-R140 PolarHBondContact O-N 3.21Å; L137-R140 PolarHBondContact O-N 2.58Å; L137-R140 VanDerWaalsContact O-N 3.16Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.2Å; R140-L144 PolarHBondContact O-N 2.69Å |
| 141 | L | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -48.9 | 176.8 | -179.2 | 59.1 | 0 | 0 | 0 | 112.1 | M95 F125 F128 L137 L138 K143 L144 L145 L168 | M95-L141 HydrophobicContact CE-CB 3.91Å; M95-L141 HydrophobicContact CE-CD1 4.06Å; M95-L141 HydrophobicContact CG-CD1 4.16Å; M95-L141 HydrophobicContact SD-CB 4.36Å; M95-L141 HydrophobicContact SD-CD1 4.15Å; F125-L141 HydrophobicContact CB-CD2 3.84Å; F125-L141 HydrophobicContact CD1-CD1 4.49Å; F125-L141 HydrophobicContact CD1-CD2 4.11Å; F125-L141 HydrophobicContact CD2-CD1 4.29Å; F125-L141 HydrophobicContact CD2-CD2 4.16Å; F125-L141 HydrophobicContact CE1-CD1 4.4Å; F125-L141 HydrophobicContact CE2-CD1 4.15Å; F125-L141 HydrophobicContact CG-CD1 4.45Å; F125-L141 HydrophobicContact CG-CD2 3.77Å; F125-L141 HydrophobicContact CZ-CD1 4.2Å; F128-L141 HydrophobicContact CD2-CD2 4.02Å; F128-L141 HydrophobicContact CE2-CB 4.3Å; F128-L141 HydrophobicContact CE2-CD2 3.99Å; L137-L141 PolarHBondContact O-N 3.33Å; L138-L141 PolarHBondContact O-N 3.07Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.02Å; L141-L144 HydrophobicContact CD1-CD2 4.41Å; L141-L144 CarbonylContact O-C 3.35Å; L141-L144 WeakPolarHBondContact O-CA 3.29Å; L141-L144 VanDerWaalsContact O-CB 3.3Å; L141-L144 WeakPolarHBondContact O-CB 3.4Å; L141-L144 PolarHBondContact O-N 3.35Å; L141-L145 HydrophobicContact CD1-CD1 4.47Å; L141-L145 HydrophobicContact CD1-CD2 4.5Å; L141-L145 HydrophobicContact CD1-CG 4.24Å; L141-L145 HydrophobicContact CG-CD1 4.17Å; L141-L145 HydrophobicContact CG-CG 4.39Å; L141-L145 WeakPolarHBondContact O-CG 3.08Å; L141-L145 PolarHBondContact O-N 3.45Å; L141-L168 HydrophobicContact CD2-CD2 3.41Å; L141-L168 VanDerWaalsContact CD2-CD2 3.41Å |
| 142 | Y | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 176.9 | -77.5 | -82.3 | 0 | 0 | 0 | 112.5 | L138 L144 L145 Y146 G165 F169 L179 I204 | L138-Y142 HydrophobicContact CD2-CE2 4.48Å; L138-Y142 VanDerWaalsContact O-CD2 3.31Å; L138-Y142 WeakPolarHBondContact O-CD2 3.4Å; L138-Y142 PolarHBondContact O-N 2.76Å; Y142-L144 PolarHBondContact O-N 2.64Å; Y142-L145 HydrophobicContact CD1-CD1 4.09Å; Y142-L145 HydrophobicContact CE1-CD1 4.11Å; Y142-L145 PolarHBondContact O-N 3.09Å; Y142-Y146 WeakPolarHBondContact O-CB 3.14Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.45Å; Y142-Y146 PolarHBondContact O-N 2.82Å; Y142-G165 VanDerWaalsContact CE1-O 3.28Å; Y142-G165 WeakPolarHBondContact CE1-O 3.28Å; Y142-G165 PolarHBondContact OH-O 3.05Å; Y142-F169 HydrophobicContact CE1-CD2 4.14Å; Y142-F169 HydrophobicContact CE2-CD2 4.41Å; Y142-F169 AromaticContact CZ-CD2 3.89Å; Y142-F169 WeakPolarHBondContact OH-CA 3.42Å; Y142-F169 WeakPolarHBondContact OH-CB 3.17Å; Y142-F169 PolarHBondContact OH-N 3.02Å; Y142-F169 VanDerWaalsContact OH-N 3.14Å; Y142-L179 HydrophobicContact CD1-CD1 4.22Å; Y142-L179 HydrophobicContact CD2-CD1 3.42Å; Y142-L179 VanDerWaalsContact CD2-CD1 3.42Å; Y142-L179 HydrophobicContact CD2-CD2 3.92Å; Y142-L179 HydrophobicContact CD2-CG 4.34Å; Y142-L179 HydrophobicContact CE2-CD1 4.25Å; Y142-L179 HydrophobicContact CE2-CD2 4.07Å; Y142-L179 HydrophobicContact CG-CD1 3.44Å; Y142-L179 VanDerWaalsContact CG-CD1 3.44Å; Y142-I204 HydrophobicContact CD1-CD1 4.35Å; Y142-I204 HydrophobicContact CE1-CD1 3.93Å |
| 143 | K | 95.8 | Very high | 91.3 | Very high | 113 Ų | 113 | 40.7 Ų | 40.7 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -34.1 | 170.5 | -75.6 | 169.5 | -178.5 | 167.2 | 0 | 112.4 | L139 L141 S147 L182 | L139-K143 VanDerWaalsContact CD2-NZ 3.26Å; L139-K143 HydrophobicContact CG-CD 4.18Å; L139-K143 WeakPolarHBondContact O-CB 3.41Å; L139-K143 WeakPolarHBondContact O-CD 3.3Å; L139-K143 WeakPolarHBondContact O-CG 3.5Å; L139-K143 PolarHBondContact O-N 2.87Å; L139-K143 VanDerWaalsContact O-N 3.09Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.02Å; K143-S147 PolarHBondContact O-N 3Å; K143-L182 HydrophobicContact CG-CD1 4.2Å; K143-L182 HydrophobicContact CG-CD2 3.73Å |
| 144 | L | 95.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.2 | -53.5 | 171.9 | 171 | 65 | 0 | 0 | 0 | 111.5 | M95 L98 K99 R140 L141 Y142 Y146 S147 L148 | M95-L144 HydrophobicContact CB-CD2 3.68Å; M95-L144 HydrophobicContact CE-CD2 4.05Å; M95-L144 HydrophobicContact CG-CD2 4.03Å; M95-L144 WeakPolarHBondContact O-CD2 3.32Å; L98-L144 HydrophobicContact CB-CD2 4.37Å; L98-L144 HydrophobicContact CD1-CD2 4.27Å; K99-L144 HydrophobicContact CD-CD1 4.45Å; K99-L144 HydrophobicContact CG-CD1 3.56Å; R140-L144 PolarHBondContact O-N 2.69Å; L141-L144 HydrophobicContact CD1-CD2 4.41Å; L141-L144 CarbonylContact O-C 3.35Å; L141-L144 WeakPolarHBondContact O-CA 3.29Å; L141-L144 VanDerWaalsContact O-CB 3.3Å; L141-L144 WeakPolarHBondContact O-CB 3.4Å; L141-L144 PolarHBondContact O-N 3.35Å; Y142-L144 PolarHBondContact O-N 2.64Å; L144-Y146 VanDerWaalsContact C-N 3.32Å; L144-Y146 PolarHBondContact O-N 3.27Å; L144-S147 CarbonylContact O-C 3.55Å; L144-S147 WeakPolarHBondContact O-CA 3.44Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 3.24Å; L144-S147 PolarHBondContact O-OG 2.97Å; L144-L148 HydrophobicContact CD1-CD2 4.04Å; L144-L148 HydrophobicContact CD1-CG 4.34Å; L144-L148 WeakPolarHBondContact O-CG 3.17Å; L144-L148 PolarHBondContact O-N 3.12Å; L144-L148 VanDerWaalsContact O-N 3.09Å |
| 145 | L | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.4 | -47.5 | -179.2 | -64.2 | 170.6 | 0 | 0 | 0 | 111.2 | L141 Y142 S147 L148 C149 V161 I164 L200 | L141-L145 HydrophobicContact CD1-CD1 4.47Å; L141-L145 HydrophobicContact CD1-CD2 4.5Å; L141-L145 HydrophobicContact CD1-CG 4.24Å; L141-L145 HydrophobicContact CG-CD1 4.17Å; L141-L145 HydrophobicContact CG-CG 4.39Å; L141-L145 WeakPolarHBondContact O-CG 3.08Å; L141-L145 PolarHBondContact O-N 3.45Å; Y142-L145 HydrophobicContact CD1-CD1 4.09Å; Y142-L145 HydrophobicContact CE1-CD1 4.11Å; Y142-L145 PolarHBondContact O-N 3.09Å; L145-S147 PolarHBondContact O-N 2.72Å; L145-L148 WeakPolarHBondContact O-CB 3.34Å; L145-L148 PolarHBondContact O-N 2.9Å; L145-C149 PolarHBondContact O-N 3Å; L145-C149 PolarHBondContact O-SG 3.21Å; L145-V161 HydrophobicContact CB-CG1 4.19Å; L145-V161 HydrophobicContact CD2-CG1 4.06Å; L145-I164 HydrophobicContact CD1-CG2 4.12Å; L145-I164 HydrophobicContact CD2-CB 4.42Å; L145-I164 HydrophobicContact CD2-CG2 4.1Å; L145-L200 HydrophobicContact CB-CD2 4.19Å |
| 146 | Y | 93.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -21.3 | 173.6 | -77 | -57.2 | 0 | 0 | 0 | 114.6 | Y142 L144 L182 V183 H186 K197 L200 S201 | Y142-Y146 WeakPolarHBondContact O-CB 3.14Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.45Å; Y142-Y146 PolarHBondContact O-N 2.82Å; L144-Y146 VanDerWaalsContact C-N 3.32Å; L144-Y146 PolarHBondContact O-N 3.27Å; Y146-L182 HydrophobicContact CD2-CD2 3.96Å; Y146-L182 HydrophobicContact CD2-CG 3.99Å; Y146-L182 HydrophobicContact CE2-CD2 4.15Å; Y146-L182 HydrophobicContact CE2-CG 3.99Å; Y146-V183 HydrophobicContact CE2-CG2 4.45Å; Y146-V183 WeakPolarHBondContact OH-CA 3.44Å; Y146-H186 HydrophobicContact CD1-CB 4.46Å; Y146-H186 AromaticContact CD2-ND1 3.9Å; Y146-H186 HydrophobicContact CE1-CB 4.03Å; Y146-H186 AromaticContact CE2-ND1 3.99Å; Y146-H186 AromaticContact CG-ND1 3.99Å; Y146-K197 HydrophobicContact CD1-CB 3.9Å; Y146-K197 HydrophobicContact CD1-CG 4.23Å; Y146-K197 HydrophobicContact CE1-CB 4.42Å; Y146-K197 WeakPolarHBondContact CE1-O 3.26Å; Y146-K197 WeakPolarHBondContact O-CD 3.5Å; Y146-K197 WeakPolarHBondContact O-CE 3.4Å; Y146-K197 WeakPolarHBondContact O-CG 3.41Å; Y146-L200 HydrophobicContact CD1-CD2 3.98Å; Y146-L200 HydrophobicContact CE1-CB 4.13Å; Y146-L200 HydrophobicContact CE1-CD2 3.89Å; Y146-L200 HydrophobicContact CE1-CG 4.12Å; Y146-S201 WeakPolarHBondContact CE1-OG 3.44Å; Y146-S201 PolarHBondContact OH-OG 2.69Å |
| 147 | S | 92.5 | Very high | 91.6 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -83.7 | -20.7 | 171.9 | 76.6 | 0 | 0 | 0 | 0 | 113.6 | T102 K143 L144 L145 | T102-S147 WeakPolarHBondContact CG2-O 3.4Å; K143-S147 PolarHBondContact O-N 3Å; L144-S147 CarbonylContact O-C 3.55Å; L144-S147 WeakPolarHBondContact O-CA 3.44Å; L144-S147 WeakPolarHBondContact O-CB 3.37Å; L144-S147 PolarHBondContact O-N 3.24Å; L144-S147 PolarHBondContact O-OG 2.97Å; L145-S147 PolarHBondContact O-N 2.72Å |
| 148 | L | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -79.7 | -27.3 | 173.1 | -53.8 | -175.2 | 0 | 0 | 0 | 112.1 | L98 I101 T102 L144 L145 T150 V161 | L98-L148 HydrophobicContact CB-CD1 4.25Å; L98-L148 WeakPolarHBondContact O-CD2 3.49Å; I101-L148 HydrophobicContact CB-CD2 4.45Å; T102-L148 HydrophobicContact CG2-CD2 4.13Å; L144-L148 HydrophobicContact CD1-CD2 4.04Å; L144-L148 HydrophobicContact CD1-CG 4.34Å; L144-L148 WeakPolarHBondContact O-CG 3.17Å; L144-L148 PolarHBondContact O-N 3.12Å; L144-L148 VanDerWaalsContact O-N 3.09Å; L145-L148 WeakPolarHBondContact O-CB 3.34Å; L145-L148 PolarHBondContact O-N 2.9Å; L148-T150 PolarHBondContact O-N 3.06Å; L148-V161 HydrophobicContact CB-CG2 4.18Å; L148-V161 HydrophobicContact CD1-CG2 4.15Å |
| 149 | C | 91 | Very high | 91.7 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | trans | -70.8 | 60.8 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | L145 K197 | L145-C149 PolarHBondContact O-N 3Å; L145-C149 PolarHBondContact O-SG 3.21Å; C149-K197 HydrophobicContact CB-CG 4.09Å | ||
| 150 | T | 86.3 | Confident | 91.7 | Very high | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.288 | 25% | 0.25 | S | S | . | . | trans | -83.3 | 156.6 | 168.4 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | T102 L148 T152 L153 | T102-T150 HydrophobicContact CG2-CG2 4.5Å; L148-T150 PolarHBondContact O-N 3.06Å; T150-T152 PolarHBondContact O-N 3.36Å; T150-T152 VanDerWaalsContact O-N 3.07Å; T150-T152 PolarHBondContact OG1-OG1 2.9Å; T150-L153 WeakPolarHBondContact O-CB 3.33Å; T150-L153 PolarHBondContact O-N 2.81Å; T150-L153 VanDerWaalsContact O-N 3.12Å | ||
| 151 | D | 79.4 | Confident | 91.7 | Very high | 139 Ų | 139 | 45.6 Ų | 45.6 | 74% | 0.743 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 1.5 | 179.7 | -46.7 | -48.8 | 0 | 0 | 0 | 113.1 | G196 | D151-G196 PolarHBondContact OD1-N 2.84Š|
| 152 | T | 81.6 | Confident | 91.7 | Very high | 104 Ų | 104 | 45.8 Ų | 45.8 | 64% | 0.638 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -3.7 | 173 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | T150 | T150-T152 PolarHBondContact O-N 3.36Å; T150-T152 VanDerWaalsContact O-N 3.07Å; T150-T152 PolarHBondContact OG1-OG1 2.9Å |
| 153 | L | 88.8 | Confident | 91.6 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | trans | -73.8 | 128 | 179.6 | -167.4 | 73 | 0 | 0 | 0 | 110.1 | I101 T150 M157 W158 V161 | I101-L153 HydrophobicContact CG2-CD1 3.49Å; I101-L153 VanDerWaalsContact CG2-CD1 3.49Å; T150-L153 WeakPolarHBondContact O-CB 3.33Å; T150-L153 PolarHBondContact O-N 2.81Å; T150-L153 VanDerWaalsContact O-N 3.12Å; L153-M157 HydrophobicContact CD1-CB 3.81Å; L153-M157 HydrophobicContact CD1-CE 3.93Å; L153-M157 HydrophobicContact CG-CB 4.18Å; L153-W158 HydrophobicContact CD2-CB 3.9Å; L153-W158 HydrophobicContact CG-CB 4.37Å; L153-V161 HydrophobicContact CD2-CG2 4.11Å | ||
| 154 | D | 88.5 | Confident | 91.6 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | trans | -72.4 | 158.9 | 176.2 | 71.6 | -97.7 | 0 | 0 | 0 | 112.4 | R156 M157 W158 | D154-R156 VanDerWaalsContact C-N 3.28Å; D154-R156 PolarHBondContact O-N 3.41Å; D154-R156 WeakPolarHBondContact OD2-CA 3.33Å; D154-R156 WeakPolarHBondContact OD2-CB 3.38Å; D154-R156 PolarHBondContact OD2-N 3.07Å; D154-M157 PolarHBondContact O-N 2.96Å; D154-M157 WeakPolarHBondContact OD1-CE 3.49Å; D154-M157 PolarHBondContact OD2-N 3.33Å; D154-W158 VanDerWaalsContact O-CB 3.29Å; D154-W158 WeakPolarHBondContact O-CB 3.47Å; D154-W158 PolarHBondContact O-N 3.13Å | ||
| 155 | E | 91 | Very high | 91.6 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -29.4 | -176.8 | -70 | -71 | 150.2 | 0 | 0 | 113.7 | N159 R199 | E155-N159 PolarHBondContact O-N 3.29Å; E155-N159 PolarHBondContact O-ND2 2.87Å; E155-R199 IonicContact OE1-CZ 3.51Å; E155-R199 IonicContact OE1-NH1 3.79Å; E155-R199 PolarHBondContact OE1-NH1 3.47Å; E155-R199 IonicContact OE1-NH2 2.67Å; E155-R199 IonicContact OE2-CZ 3Å; E155-R199 IonicContact OE2-NH1 3.02Å; E155-R199 PolarHBondContact OE2-NH1 3.37Å; E155-R199 IonicContact OE2-NH2 3.58Å; E155-R199 PolarHBondContact OE2-NH2 2.57Å |
| 156 | R | 91.9 | Very high | 91.6 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -73.2 | -47.5 | 178.6 | -179.4 | -178.5 | 174.9 | -171.4 | -0.8 | 110.5 | E117 D154 W158 N159 F160 | E117-R156 IonicContact OE1-CZ 3.62Å; E117-R156 IonicContact OE1-NE 3.95Å; E117-R156 IonicContact OE1-NH2 2.7Å; E117-R156 PolarHBondContact OE1-NH2 3.45Å; E117-R156 IonicContact OE2-CZ 3.59Å; E117-R156 IonicContact OE2-NH2 3.75Å; E117-R156 PolarHBondContact OE2-NH2 3.46Å; D154-R156 VanDerWaalsContact C-N 3.28Å; D154-R156 PolarHBondContact O-N 3.41Å; D154-R156 WeakPolarHBondContact OD2-CA 3.33Å; D154-R156 WeakPolarHBondContact OD2-CB 3.38Å; D154-R156 PolarHBondContact OD2-N 3.07Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-N159 WeakPolarHBondContact O-CB 3.3Å; R156-N159 PolarHBondContact O-N 3.43Å; R156-F160 HydrophobicContact CG-CE2 3.84Å; R156-F160 HydrophobicContact CG-CZ 4.29Å; R156-F160 WeakPolarHBondContact O-CD2 3.49Å; R156-F160 PolarHBondContact O-N 3.48Å |
| 157 | M | 91.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -35.1 | 173.5 | -74.6 | -157.3 | -70.7 | 0 | 0 | 112.3 | I101 Y109 A113 L116 L153 D154 N159 F160 V161 | I101-M157 HydrophobicContact CD1-SD 4.25Å; I101-M157 HydrophobicContact CG1-SD 4.3Å; I101-M157 HydrophobicContact CG2-CE 3.86Å; I101-M157 HydrophobicContact CG2-SD 3.84Å; Y109-M157 HydrophobicContact CE1-CE 4.31Å; Y109-M157 HydrophobicContact CE2-CE 3.73Å; Y109-M157 VanDerWaalsContact CZ-CE 3.44Å; Y109-M157 WeakPolarHBondContact OH-CE 3.47Å; A113-M157 HydrophobicContact CB-CG 4.3Å; A113-M157 HydrophobicContact CB-SD 3.54Å; A113-M157 VanDerWaalsContact CB-SD 3.54Å; L116-M157 HydrophobicContact CD2-CB 4.22Å; L116-M157 HydrophobicContact CD2-CG 4.46Å; L153-M157 HydrophobicContact CD1-CB 3.81Å; L153-M157 HydrophobicContact CD1-CE 3.93Å; L153-M157 HydrophobicContact CG-CB 4.18Å; D154-M157 PolarHBondContact O-N 2.96Å; D154-M157 WeakPolarHBondContact OD1-CE 3.49Å; D154-M157 PolarHBondContact OD2-N 3.33Å; M157-N159 VanDerWaalsContact C-N 3.32Å; M157-N159 PolarHBondContact O-N 3.03Å; M157-F160 PolarHBondContact O-N 3.3Å; M157-V161 WeakPolarHBondContact O-CG2 3.49Å; M157-V161 PolarHBondContact O-N 3.34Å |
| 158 | W | 93.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 9% | 0.087 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 172.9 | 177.1 | 82.2 | 0 | 0 | 0 | 111.7 | L153 D154 R156 F160 V161 A162 R199 E203 | L153-W158 HydrophobicContact CD2-CB 3.9Å; L153-W158 HydrophobicContact CG-CB 4.37Å; D154-W158 VanDerWaalsContact O-CB 3.29Å; D154-W158 WeakPolarHBondContact O-CB 3.47Å; D154-W158 PolarHBondContact O-N 3.13Å; R156-W158 VanDerWaalsContact C-N 3.32Å; W158-F160 VanDerWaalsContact C-N 3.3Å; W158-F160 PolarHBondContact O-N 3.12Å; W158-V161 PolarHBondContact O-N 3.48Å; W158-A162 HydrophobicContact CD2-CB 4.48Å; W158-A162 HydrophobicContact CH2-CB 3.99Å; W158-A162 HydrophobicContact CZ2-CB 3.87Å; W158-A162 HydrophobicContact CZ3-CB 4.34Å; W158-A162 VanDerWaalsContact O-CB 3.32Å; W158-A162 WeakPolarHBondContact O-CB 3.45Å; W158-A162 PolarHBondContact O-N 2.95Å; W158-R199 HydrophobicContact CZ2-CG 3.75Å; W158-E203 WeakPolarHBondContact CH2-OE2 3.48Å; W158-E203 WeakPolarHBondContact CZ2-OE2 3.35Å |
| 159 | N | 94.6 | Very high | 91.8 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.2 | -40.2 | 175.3 | -73.6 | -36.1 | 0 | 0 | 0 | 112.3 | E155 R156 M157 A162 E163 | E155-N159 PolarHBondContact O-N 3.29Å; E155-N159 PolarHBondContact O-ND2 2.87Å; R156-N159 WeakPolarHBondContact O-CB 3.3Å; R156-N159 PolarHBondContact O-N 3.43Å; M157-N159 VanDerWaalsContact C-N 3.32Å; M157-N159 PolarHBondContact O-N 3.03Å; N159-A162 PolarHBondContact O-N 3.35Å; N159-E163 VanDerWaalsContact O-CB 3.27Å; N159-E163 WeakPolarHBondContact O-CB 3.44Å; N159-E163 PolarHBondContact O-N 3.43Å |
| 160 | F | 95.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 47 Ų | 47 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.3 | -36.9 | 176.7 | -59.7 | -48.8 | 0 | 0 | 0 | 113.2 | L116 E117 S120 R156 M157 W158 A162 I164 | L116-F160 HydrophobicContact CD2-CB 3.9Å; L116-F160 HydrophobicContact CG-CB 3.77Å; E117-F160 HydrophobicContact CB-CD2 3.94Å; E117-F160 HydrophobicContact CB-CE2 3.59Å; E117-F160 HydrophobicContact CB-CZ 3.93Å; E117-F160 HydrophobicContact CG-CD2 4.45Å; E117-F160 HydrophobicContact CG-CE1 4.13Å; E117-F160 HydrophobicContact CG-CE2 3.69Å; E117-F160 HydrophobicContact CG-CZ 3.52Å; E117-F160 WeakPolarHBondContact OE1-CZ 3.39Å; S120-F160 PolarHBondContact OG-O 3Å; R156-F160 HydrophobicContact CG-CE2 3.84Å; R156-F160 HydrophobicContact CG-CZ 4.29Å; R156-F160 WeakPolarHBondContact O-CD2 3.49Å; R156-F160 PolarHBondContact O-N 3.48Å; M157-F160 PolarHBondContact O-N 3.3Å; W158-F160 VanDerWaalsContact C-N 3.3Å; W158-F160 PolarHBondContact O-N 3.12Å; F160-A162 VanDerWaalsContact C-N 3.28Å; F160-A162 PolarHBondContact O-N 3.34Å; F160-I164 WeakPolarHBondContact O-CG1 3.47Å; F160-I164 PolarHBondContact O-N 3.42Å |
| 161 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 171.7 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L116 L145 L148 L153 M157 W158 G165 L200 | L116-V161 HydrophobicContact CD1-CG2 4.25Å; L116-V161 HydrophobicContact CD2-CG2 3.73Å; L145-V161 HydrophobicContact CB-CG1 4.19Å; L145-V161 HydrophobicContact CD2-CG1 4.06Å; L148-V161 HydrophobicContact CB-CG2 4.18Å; L148-V161 HydrophobicContact CD1-CG2 4.15Å; L153-V161 HydrophobicContact CD2-CG2 4.11Å; M157-V161 WeakPolarHBondContact O-CG2 3.49Å; M157-V161 PolarHBondContact O-N 3.34Å; W158-V161 PolarHBondContact O-N 3.48Å; V161-G165 PolarHBondContact O-N 2.93Å; V161-L200 HydrophobicContact CG1-CD2 4.28Å |
| 162 | A | 94.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.9 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W158 N159 F160 G165 V166 L200 E203 | W158-A162 HydrophobicContact CD2-CB 4.48Å; W158-A162 HydrophobicContact CH2-CB 3.99Å; W158-A162 HydrophobicContact CZ2-CB 3.87Å; W158-A162 HydrophobicContact CZ3-CB 4.34Å; W158-A162 VanDerWaalsContact O-CB 3.32Å; W158-A162 WeakPolarHBondContact O-CB 3.45Å; W158-A162 PolarHBondContact O-N 2.95Å; N159-A162 PolarHBondContact O-N 3.35Å; F160-A162 VanDerWaalsContact C-N 3.28Å; F160-A162 PolarHBondContact O-N 3.34Å; A162-G165 CarbonylContact O-C 3.5Å; A162-G165 PolarHBondContact O-N 3.36Å; A162-V166 VanDerWaalsContact O-CB 3.28Å; A162-V166 WeakPolarHBondContact O-CB 3.45Å; A162-V166 VanDerWaalsContact O-CG2 3.27Å; A162-V166 WeakPolarHBondContact O-CG2 3.29Å; A162-V166 PolarHBondContact O-N 3.1Å; A162-L200 HydrophobicContact CB-CD1 4.45Å; A162-E203 WeakPolarHBondContact CB-OE2 3.38Å |
| 163 | E | 95.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -53.9 | 177.8 | -179.8 | 174.7 | -124.4 | 0 | 0 | 111.1 | S120 N159 G165 V166 D167 | S120-E163 WeakPolarHBondContact CB-OE2 3.27Å; S120-E163 WeakPolarHBondContact OG-CB 3.33Å; S120-E163 PolarHBondContact OG-OE2 3.11Å; N159-E163 VanDerWaalsContact O-CB 3.27Å; N159-E163 WeakPolarHBondContact O-CB 3.44Å; N159-E163 PolarHBondContact O-N 3.43Å; E163-G165 VanDerWaalsContact C-N 3.27Å; E163-G165 PolarHBondContact O-N 2.99Å; E163-V166 PolarHBondContact O-N 3.3Å; E163-D167 WeakPolarHBondContact O-CB 3.37Å; E163-D167 PolarHBondContact O-N 2.87Å |
| 164 | I | 95.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.3 | -44.2 | 173 | -64.1 | 168.2 | 0 | 0 | 0 | 110.8 | L116 F125 L145 F160 L168 | L116-I164 HydrophobicContact CD1-CD1 3.69Å; F125-I164 HydrophobicContact CD2-CD1 4.34Å; F125-I164 HydrophobicContact CD2-CG2 3.79Å; F125-I164 HydrophobicContact CE2-CD1 4.3Å; F125-I164 HydrophobicContact CE2-CG2 4.46Å; L145-I164 HydrophobicContact CD1-CG2 4.12Å; L145-I164 HydrophobicContact CD2-CB 4.42Å; L145-I164 HydrophobicContact CD2-CG2 4.1Å; F160-I164 WeakPolarHBondContact O-CG1 3.47Å; F160-I164 PolarHBondContact O-N 3.42Å; I164-L168 WeakPolarHBondContact O-CB 3.19Å; I164-L168 PolarHBondContact O-N 3.07Å |
| 165 | G | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -35.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y142 V161 A162 E163 F169 | Y142-G165 VanDerWaalsContact CE1-O 3.28Å; Y142-G165 WeakPolarHBondContact CE1-O 3.28Å; Y142-G165 PolarHBondContact OH-O 3.05Å; V161-G165 PolarHBondContact O-N 2.93Å; A162-G165 CarbonylContact O-C 3.5Å; A162-G165 PolarHBondContact O-N 3.36Å; E163-G165 VanDerWaalsContact C-N 3.27Å; E163-G165 PolarHBondContact O-N 2.99Å; G165-F169 WeakPolarHBondContact O-CB 3.33Å |
| 166 | V | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -88.9 | -52.8 | -176.7 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | A162 E163 L168 F169 R170 I204 R207 C208 | A162-V166 VanDerWaalsContact O-CB 3.28Å; A162-V166 WeakPolarHBondContact O-CB 3.45Å; A162-V166 VanDerWaalsContact O-CG2 3.27Å; A162-V166 WeakPolarHBondContact O-CG2 3.29Å; A162-V166 PolarHBondContact O-N 3.1Å; E163-V166 PolarHBondContact O-N 3.3Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.35Å; V166-F169 WeakPolarHBondContact O-CB 3.48Å; V166-F169 PolarHBondContact O-N 2.91Å; V166-R170 PolarHBondContact O-N 2.9Å; V166-R170 VanDerWaalsContact O-N 3.09Å; V166-I204 HydrophobicContact CG2-CG1 4.02Å; V166-R207 HydrophobicContact CG1-CB 3.55Å; V166-R207 HydrophobicContact CG1-CG 4.37Å; V166-C208 PolarHBondContact O-SG 3.15Å |
| 167 | D | 94.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | -173.1 | -86 | 27.7 | 0 | 0 | 0 | 111.2 | K123 F126 E163 F169 | K123-D167 IonicContact NZ-OD2 2.78Å; K123-D167 PolarHBondContact NZ-OD2 3.32Å; F126-D167 HydrophobicContact CE2-CB 4.23Å; F126-D167 HydrophobicContact CZ-CB 4.11Å; E163-D167 WeakPolarHBondContact O-CB 3.37Å; E163-D167 PolarHBondContact O-N 2.87Å; D167-F169 VanDerWaalsContact C-N 3.31Å; D167-F169 PolarHBondContact O-N 3.23Å |
| 168 | L | 94.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -34.4 | 174.2 | -174.9 | 63.8 | 0 | 0 | 0 | 111.9 | F125 F126 L129 L138 L141 I164 V166 E171 V172 | F125-L168 HydrophobicContact CB-CD2 4.09Å; F126-L168 HydrophobicContact CD2-CB 4.44Å; F126-L168 HydrophobicContact CD2-CD1 3.75Å; F126-L168 HydrophobicContact CE2-CB 4.14Å; F126-L168 HydrophobicContact CE2-CD1 4.19Å; F126-L168 HydrophobicContact CG-CD1 4.3Å; L129-L168 HydrophobicContact CD1-CD1 4.18Å; L129-L168 HydrophobicContact CD2-CD1 4.29Å; L129-L168 HydrophobicContact CG-CD1 4.12Å; L138-L168 HydrophobicContact CD2-CD1 4.45Å; L138-L168 HydrophobicContact CD2-CD2 3.78Å; L138-L168 HydrophobicContact CD2-CG 4.06Å; L141-L168 HydrophobicContact CD2-CD2 3.41Å; L141-L168 VanDerWaalsContact CD2-CD2 3.41Å; I164-L168 WeakPolarHBondContact O-CB 3.19Å; I164-L168 PolarHBondContact O-N 3.07Å; V166-L168 VanDerWaalsContact C-N 3.35Å; V166-L168 PolarHBondContact O-N 3.35Å; L168-E171 PolarHBondContact O-N 3.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å |
| 169 | F | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | -177.9 | -162.5 | -81.9 | 0 | 0 | 0 | 111.5 | Y142 G165 V166 D167 E171 V172 I175 L179 V183 I204 C208 L212 | Y142-F169 HydrophobicContact CE1-CD2 4.14Å; Y142-F169 HydrophobicContact CE2-CD2 4.41Å; Y142-F169 AromaticContact CZ-CD2 3.89Å; Y142-F169 WeakPolarHBondContact OH-CA 3.42Å; Y142-F169 WeakPolarHBondContact OH-CB 3.17Å; Y142-F169 PolarHBondContact OH-N 3.02Å; Y142-F169 VanDerWaalsContact OH-N 3.14Å; G165-F169 WeakPolarHBondContact O-CB 3.33Å; V166-F169 WeakPolarHBondContact O-CB 3.48Å; V166-F169 PolarHBondContact O-N 2.91Å; D167-F169 VanDerWaalsContact C-N 3.31Å; D167-F169 PolarHBondContact O-N 3.23Å; F169-E171 PolarHBondContact O-N 3Å; F169-V172 WeakPolarHBondContact O-CB 3.23Å; F169-V172 PolarHBondContact O-N 2.94Å; F169-I175 HydrophobicContact CE1-CD1 3.62Å; F169-I175 HydrophobicContact CE1-CG1 4.19Å; F169-I175 HydrophobicContact CE2-CG2 4.41Å; F169-I175 HydrophobicContact CZ-CD1 3.85Å; F169-I175 HydrophobicContact CZ-CG1 4.23Å; F169-I175 HydrophobicContact CZ-CG2 3.88Å; F169-L179 HydrophobicContact CD2-CD2 4.35Å; F169-L179 HydrophobicContact CE2-CD2 4Å; F169-L179 HydrophobicContact CE2-CG 4.05Å; F169-V183 HydrophobicContact CE2-CG2 3.93Å; F169-I204 HydrophobicContact CB-CG2 4.18Å; F169-I204 HydrophobicContact CD1-CG2 3.78Å; F169-I204 HydrophobicContact CD2-CG2 3.79Å; F169-I204 HydrophobicContact CE1-CG2 4.09Å; F169-I204 HydrophobicContact CE2-CG2 4.08Å; F169-I204 HydrophobicContact CG-CG2 3.63Å; F169-I204 HydrophobicContact CZ-CG2 4.22Å; F169-C208 HydrophobicContact CD1-CB 3.89Å; F169-L212 HydrophobicContact CE1-CD1 4.48Å; F169-L212 HydrophobicContact CE1-CD2 3.55Å; F169-L212 HydrophobicContact CE1-CG 3.91Å; F169-L212 HydrophobicContact CZ-CD2 3.83Å |
| 170 | R | 93.4 | Very high | 91.3 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 36% | 0.362 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.5 | -37.9 | 179.8 | -175.5 | -179.6 | -77.7 | 160.9 | -5.7 | 112.1 | V166 V172 R207 T211 | V166-R170 PolarHBondContact O-N 2.9Å; V166-R170 VanDerWaalsContact O-N 3.09Å; R170-V172 VanDerWaalsContact C-N 3.32Å; R170-V172 PolarHBondContact O-N 2.92Å; R170-R207 PolarHBondContact NH2-O 2.98Å; R170-T211 WeakPolarHBondContact CA-OG1 3.38Å; R170-T211 WeakPolarHBondContact O-CG2 3.47Å; R170-T211 PolarHBondContact O-OG1 2.92Å |
| 171 | E | 91.5 | Very high | 91 | Very high | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.6 | 179 | -55.8 | -54.6 | 141.6 | 0 | 0 | 114 | F126 L129 L168 F169 G173 | F126-E171 HydrophobicContact CD1-CG 4.42Å; F126-E171 HydrophobicContact CE1-CG 3.63Å; F126-E171 HydrophobicContact CZ-CG 3.96Å; L129-E171 HydrophobicContact CD1-CB 3.66Å; L168-E171 PolarHBondContact O-N 3.24Å; F169-E171 PolarHBondContact O-N 3Å; E171-G173 VanDerWaalsContact C-N 3.32Å; E171-G173 PolarHBondContact O-N 2.99Å |
| 172 | V | 88.5 | Confident | 90.8 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | trans | -76.7 | 81.2 | 174.9 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | L129 L138 L168 F169 R170 I174 I175 | L129-V172 HydrophobicContact CD2-CG2 4.27Å; L138-V172 HydrophobicContact CD1-CG1 3.98Å; L138-V172 HydrophobicContact CD1-CG2 3.85Å; L138-V172 HydrophobicContact CD2-CG2 4.35Å; L168-V172 WeakPolarHBondContact O-CG2 3.36Å; F169-V172 WeakPolarHBondContact O-CB 3.23Å; F169-V172 PolarHBondContact O-N 2.94Å; R170-V172 VanDerWaalsContact C-N 3.32Å; R170-V172 PolarHBondContact O-N 2.92Å; V172-I174 PolarHBondContact O-N 3.09Å; V172-I175 HydrophobicContact CG1-CG1 4.42Å | ||
| 173 | G | 82.1 | Confident | 90.7 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 77% | 0.773 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -57.6 | -22.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E171 | E171-G173 VanDerWaalsContact C-N 3.32Å; E171-G173 PolarHBondContact O-N 2.99Å |
| 174 | I | 83.4 | Confident | 90.4 | Very high | 157 Ų | 157 | 41.2 Ų | 41.2 | 81% | 0.805 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -132.8 | 102.6 | 167.2 | -56.9 | 179.7 | 0 | 0 | 0 | 108.7 | V172 P176 | V172-I174 PolarHBondContact O-N 3.09Å; I174-P176 WeakPolarHBondContact O-CD 3.44Å |
| 175 | I | 88 | Confident | 90.1 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | trans | -69.7 | 121.2 | -176.3 | -54.9 | 167.5 | 0 | 0 | 0 | 110.3 | F169 V172 M180 T211 L212 | F169-I175 HydrophobicContact CE1-CD1 3.62Å; F169-I175 HydrophobicContact CE1-CG1 4.19Å; F169-I175 HydrophobicContact CE2-CG2 4.41Å; F169-I175 HydrophobicContact CZ-CD1 3.85Å; F169-I175 HydrophobicContact CZ-CG1 4.23Å; F169-I175 HydrophobicContact CZ-CG2 3.88Å; V172-I175 HydrophobicContact CG1-CG1 4.42Å; I175-M180 HydrophobicContact CB-CE 4.4Å; I175-M180 HydrophobicContact CD1-CE 3.88Å; I175-M180 HydrophobicContact CG2-CB 4.23Å; I175-M180 HydrophobicContact CG2-CE 4.11Å; I175-T211 HydrophobicContact CD1-CG2 4.31Å; I175-L212 HydrophobicContact CD1-CD2 3.8Å | ||
| 176 | P | 88.5 | Confident | 89.9 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | trans | -61.1 | 137.9 | 175.5 | -23.8 | 34.4 | 0 | 0 | 0 | 112.2 | I174 E178 L179 M180 | I174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-E178 VanDerWaalsContact C-N 3.26Å; P176-E178 PolarHBondContact O-N 3.17Å; P176-L179 HydrophobicContact CB-CB 4.18Å; P176-L179 HydrophobicContact CG-CB 4.48Å; P176-L179 WeakPolarHBondContact O-CA 3.46Å; P176-L179 WeakPolarHBondContact O-CB 3.35Å; P176-L179 PolarHBondContact O-N 3.46Å; P176-M180 PolarHBondContact O-N 3.03Å | ||
| 177 | A | 84.4 | Confident | 89.5 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 58% | 0.579 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.3 | -37.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L179 M180 Q181 | A177-L179 VanDerWaalsContact C-N 3.34Å; A177-M180 PolarHBondContact O-N 3.31Å; A177-Q181 WeakPolarHBondContact O-CG 3.3Å; A177-Q181 PolarHBondContact O-N 2.7Å |
| 178 | E | 88.9 | Confident | 88.9 | Confident | 126 Ų | 126 | 42.5 Ų | 42.5 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68 | -31.6 | 176.2 | -59.9 | -175.7 | -176.1 | 0 | 0 | 112.8 | L139 P176 L182 | L139-E178 HydrophobicContact CD1-CB 4.08Å; L139-E178 HydrophobicContact CD2-CB 3.79Å; L139-E178 WeakPolarHBondContact CD2-OE2 3.26Å; P176-E178 VanDerWaalsContact C-N 3.26Å; P176-E178 PolarHBondContact O-N 3.17Å; E178-L182 WeakPolarHBondContact O-CB 3.35Å; E178-L182 PolarHBondContact O-N 3.15Å |
| 179 | L | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.9 | -42.5 | 174.7 | 176.6 | 58.1 | 0 | 0 | 0 | 110.7 | L138 L139 Y142 F169 P176 A177 Q181 L182 V183 | L138-L179 HydrophobicContact CB-CD2 4.48Å; L139-L179 HydrophobicContact CD1-CB 4.31Å; Y142-L179 HydrophobicContact CD1-CD1 4.22Å; Y142-L179 HydrophobicContact CD2-CD1 3.42Å; Y142-L179 VanDerWaalsContact CD2-CD1 3.42Å; Y142-L179 HydrophobicContact CD2-CD2 3.92Å; Y142-L179 HydrophobicContact CD2-CG 4.34Å; Y142-L179 HydrophobicContact CE2-CD1 4.25Å; Y142-L179 HydrophobicContact CE2-CD2 4.07Å; Y142-L179 HydrophobicContact CG-CD1 3.44Å; Y142-L179 VanDerWaalsContact CG-CD1 3.44Å; F169-L179 HydrophobicContact CD2-CD2 4.35Å; F169-L179 HydrophobicContact CE2-CD2 4Å; F169-L179 HydrophobicContact CE2-CG 4.05Å; P176-L179 HydrophobicContact CB-CB 4.18Å; P176-L179 HydrophobicContact CG-CB 4.48Å; P176-L179 WeakPolarHBondContact O-CA 3.46Å; P176-L179 WeakPolarHBondContact O-CB 3.35Å; P176-L179 PolarHBondContact O-N 3.46Å; A177-L179 VanDerWaalsContact C-N 3.34Å; L179-Q181 VanDerWaalsContact C-N 3.34Å; L179-Q181 PolarHBondContact O-N 2.87Å; L179-L182 HydrophobicContact CD1-CD2 4.41Å; L179-L182 WeakPolarHBondContact O-CB 3.49Å; L179-L182 PolarHBondContact O-N 3.49Å; L179-L182 VanDerWaalsContact O-N 3.1Å; L179-V183 HydrophobicContact CD1-CG2 4.34Å; L179-V183 WeakPolarHBondContact O-CG2 3.25Å; L179-V183 PolarHBondContact O-N 3.29Å |
| 180 | M | 88.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 172.2 | -174.9 | 65.9 | 79.8 | 0 | 0 | 110.9 | I175 P176 A177 L182 V183 L184 L212 I216 | I175-M180 HydrophobicContact CB-CE 4.4Å; I175-M180 HydrophobicContact CD1-CE 3.88Å; I175-M180 HydrophobicContact CG2-CB 4.23Å; I175-M180 HydrophobicContact CG2-CE 4.11Å; P176-M180 PolarHBondContact O-N 3.03Å; A177-M180 PolarHBondContact O-N 3.31Å; M180-L182 VanDerWaalsContact C-N 3.29Å; M180-L182 PolarHBondContact O-N 3.07Å; M180-V183 PolarHBondContact O-N 3.06Å; M180-L184 HydrophobicContact CG-CD1 3.74Å; M180-L184 HydrophobicContact CG-CG 4.32Å; M180-L184 WeakPolarHBondContact O-CB 3.21Å; M180-L184 WeakPolarHBondContact O-CG 3.36Å; M180-L184 PolarHBondContact O-N 3.34Å; M180-L184 HydrophobicContact SD-CD1 3.95Å; M180-L184 HydrophobicContact SD-CG 4.15Å; M180-L212 HydrophobicContact CE-CD2 3.84Å; M180-L212 HydrophobicContact SD-CD2 4.13Å; M180-I216 HydrophobicContact CE-CG1 4.21Å; M180-I216 HydrophobicContact SD-CG1 4.39Å |
| 181 | Q | 88.7 | Confident | 84.2 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 174.8 | -72 | 176.4 | 18.2 | 0 | 0 | 112.8 | A177 L179 G185 W233 | A177-Q181 WeakPolarHBondContact O-CG 3.3Å; A177-Q181 PolarHBondContact O-N 2.7Å; L179-Q181 VanDerWaalsContact C-N 3.34Å; L179-Q181 PolarHBondContact O-N 2.87Å; Q181-G185 WeakPolarHBondContact O-CA 3.46Å; Q181-G185 PolarHBondContact O-N 3.32Å; Q181-W233 HydrophobicContact CB-CE3 4.42Å; Q181-W233 HydrophobicContact CG-CD2 4.41Å; Q181-W233 HydrophobicContact CG-CE3 3.94Å |
| 182 | L | 91.2 | Very high | 82 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 177.3 | -173.3 | 70.3 | 0 | 0 | 0 | 112.5 | L139 K143 Y146 E178 L179 M180 H186 | L139-L182 HydrophobicContact CD1-CB 4.41Å; L139-L182 HydrophobicContact CD1-CD2 4.04Å; K143-L182 HydrophobicContact CG-CD1 4.2Å; K143-L182 HydrophobicContact CG-CD2 3.73Å; Y146-L182 HydrophobicContact CD2-CD2 3.96Å; Y146-L182 HydrophobicContact CD2-CG 3.99Å; Y146-L182 HydrophobicContact CE2-CD2 4.15Å; Y146-L182 HydrophobicContact CE2-CG 3.99Å; E178-L182 WeakPolarHBondContact O-CB 3.35Å; E178-L182 PolarHBondContact O-N 3.15Å; L179-L182 HydrophobicContact CD1-CD2 4.41Å; L179-L182 WeakPolarHBondContact O-CB 3.49Å; L179-L182 PolarHBondContact O-N 3.49Å; L179-L182 VanDerWaalsContact O-N 3.1Å; M180-L182 VanDerWaalsContact C-N 3.29Å; M180-L182 PolarHBondContact O-N 3.07Å; L182-H186 PolarHBondContact O-N 3.49Å; L182-H186 PolarHBondContact O-ND1 3.38Å |
| 183 | V | 91.8 | Very high | 80.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.1 | -51.6 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | Y146 F169 L179 M180 G185 H186 L187 I204 I205 | Y146-V183 HydrophobicContact CE2-CG2 4.45Å; Y146-V183 WeakPolarHBondContact OH-CA 3.44Å; F169-V183 HydrophobicContact CE2-CG2 3.93Å; L179-V183 HydrophobicContact CD1-CG2 4.34Å; L179-V183 WeakPolarHBondContact O-CG2 3.25Å; L179-V183 PolarHBondContact O-N 3.29Å; M180-V183 PolarHBondContact O-N 3.06Å; V183-G185 VanDerWaalsContact C-N 3.26Å; V183-G185 PolarHBondContact O-N 3.23Å; V183-H186 PolarHBondContact O-N 3.41Å; V183-L187 PolarHBondContact O-N 2.78Å; V183-L187 VanDerWaalsContact O-N 3.15Å; V183-I204 HydrophobicContact CG1-CG2 4.4Å; V183-I205 HydrophobicContact CG1-CD1 4.24Å; V183-I205 HydrophobicContact CG1-CG1 4.26Å |
| 184 | L | 88.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 178.3 | -61.3 | 177.7 | 0 | 0 | 0 | 112.1 | M180 H186 L187 V188 W233 F234 I241 F245 | M180-L184 HydrophobicContact CG-CD1 3.74Å; M180-L184 HydrophobicContact CG-CG 4.32Å; M180-L184 WeakPolarHBondContact O-CB 3.21Å; M180-L184 WeakPolarHBondContact O-CG 3.36Å; M180-L184 PolarHBondContact O-N 3.34Å; M180-L184 HydrophobicContact SD-CD1 3.95Å; M180-L184 HydrophobicContact SD-CG 4.15Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 3.41Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 PolarHBondContact O-N 2.64Å; L184-V188 WeakPolarHBondContact O-CG2 3.36Å; L184-V188 PolarHBondContact O-N 2.91Å; L184-V188 VanDerWaalsContact O-N 3.12Å; L184-W233 HydrophobicContact CB-CH2 3.74Å; L184-W233 HydrophobicContact CB-CZ3 3.78Å; L184-W233 HydrophobicContact CD1-CZ3 4.32Å; L184-F234 HydrophobicContact CD1-CD2 3.78Å; L184-F234 HydrophobicContact CD1-CE2 3.44Å; L184-F234 VanDerWaalsContact CD1-CE2 3.44Å; L184-I241 HydrophobicContact CD2-CG2 4.39Å; L184-F245 HydrophobicContact CD2-CD2 4.34Å; L184-F245 HydrophobicContact CD2-CE2 3.35Å; L184-F245 HydrophobicContact CD2-CZ 3.93Å |
| 185 | G | 88.9 | Confident | 78.9 | Confident | 18 Ų | 18 | 64 Ų | 64 | 19% | 0.186 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.9 | -23.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q181 V183 Q189 | Q181-G185 WeakPolarHBondContact O-CA 3.46Å; Q181-G185 PolarHBondContact O-N 3.32Å; V183-G185 VanDerWaalsContact C-N 3.26Å; V183-G185 PolarHBondContact O-N 3.23Å; G185-Q189 WeakPolarHBondContact O-CG 3.28Å; G185-Q189 PolarHBondContact O-NE2 2.83Å |
| 186 | H | 89.7 | Confident | 78.7 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -89.7 | -24.5 | 172.5 | -75.7 | 100.1 | 0 | 0 | 0 | 113.2 | Y146 L182 V183 L184 Q189 K197 S201 | Y146-H186 HydrophobicContact CD1-CB 4.46Å; Y146-H186 AromaticContact CD2-ND1 3.9Å; Y146-H186 HydrophobicContact CE1-CB 4.03Å; Y146-H186 AromaticContact CE2-ND1 3.99Å; Y146-H186 AromaticContact CG-ND1 3.99Å; L182-H186 PolarHBondContact O-N 3.49Å; L182-H186 PolarHBondContact O-ND1 3.38Å; V183-H186 PolarHBondContact O-N 3.41Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 3.41Å; H186-Q189 PolarHBondContact CD2-NE2 3.15Å; H186-K197 HydrophobicContact CB-CB 4.38Å; H186-S201 WeakPolarHBondContact CB-OG 3.35Å |
| 187 | L | 87.1 | Confident | 78.8 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 167.4 | -174.9 | 75.4 | 0 | 0 | 0 | 111.6 | V183 L184 Q189 H198 I205 E244 F245 V248 | V183-L187 PolarHBondContact O-N 2.78Å; V183-L187 VanDerWaalsContact O-N 3.15Å; L184-L187 WeakPolarHBondContact O-CB 3.47Å; L184-L187 PolarHBondContact O-N 2.64Å; L187-Q189 PolarHBondContact O-N 3.33Å; L187-H198 PolarHBondContact O-CD2 3.45Å; L187-I205 HydrophobicContact CB-CD1 4.47Å; L187-I205 HydrophobicContact CD1-CD1 4.16Å; L187-I205 HydrophobicContact CD2-CD1 3.8Å; L187-I205 HydrophobicContact CG-CD1 4.37Å; L187-E244 HydrophobicContact CD1-CB 4.06Å; L187-E244 HydrophobicContact CD2-CB 3.74Å; L187-E244 HydrophobicContact CG-CB 3.61Å; L187-E244 HydrophobicContact CG-CG 4.43Å; L187-F245 HydrophobicContact CD2-CD2 3.54Å; L187-F245 HydrophobicContact CD2-CE2 3.62Å; L187-V248 HydrophobicContact CD1-CG2 3.9Å |
| 188 | V | 81.2 | Confident | 79.1 | Confident | 20 Ų | 20 | 65 Ų | 65 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -86.4 | 4.1 | -170.9 | 168.3 | 0 | 0 | 0 | 0 | 114.4 | L184 K190 P240 I241 | L184-V188 WeakPolarHBondContact O-CG2 3.36Å; L184-V188 PolarHBondContact O-N 2.91Å; L184-V188 VanDerWaalsContact O-N 3.12Å; V188-K190 PolarHBondContact O-N 2.85Å; V188-P240 HydrophobicContact CG1-CB 3.85Å; V188-P240 HydrophobicContact CG1-CG 3.89Å; V188-P240 HydrophobicContact CG2-CB 4.43Å; V188-I241 HydrophobicContact CG2-CB 4.41Å; V188-I241 HydrophobicContact CG2-CG1 3.76Å |
| 189 | Q | 72.5 | Confident | 79.1 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | trans | -67.8 | 115.6 | -176.8 | -92 | 163.5 | 37.9 | 0 | 0 | 112.9 | G185 H186 L187 E191 | G185-Q189 WeakPolarHBondContact O-CG 3.28Å; G185-Q189 PolarHBondContact O-NE2 2.83Å; H186-Q189 PolarHBondContact CD2-NE2 3.15Å; L187-Q189 PolarHBondContact O-N 3.33Å; Q189-E191 PolarHBondContact O-N 2.98Å | ||
| 190 | K | 58.5 | Low | 79.2 | Confident | 197 Ų | 197 | 63.4 Ų | 63.4 | 86% | 0.857 | 31% | 0.314 | S | S | * | . | trans | -70.6 | 19.7 | -174.7 | -59.3 | -175 | 177.3 | -178.6 | 0 | 115.7 | V188 | V188-K190 PolarHBondContact O-N 2.85Š| ||
| 191 | E | 53.3 | Low | 79.4 | Confident | 118 Ų | 118 | 62.4 Ų | 62.4 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | trans | -84.8 | 140.2 | -175.6 | -55.9 | -141.5 | 119.7 | 0 | 0 | 110.6 | Q189 G193 R1207 | Q189-E191 PolarHBondContact O-N 2.98Å; E191-G193 VanDerWaalsContact C-N 3.29Å; E191-G193 PolarHBondContact O-N 3.19Å; E191-R1207 IonicContact OE1-CZ 3.88Å; E191-R1207 IonicContact OE1-NH1 3.77Å; E191-R1207 IonicContact OE1-NH2 3Å; E191-R1207 PolarHBondContact OE1-NH2 3.03Å | ||
| 192 | Q | 46.6 | Very low | 79.6 | Confident | 212 Ų | 212 | 58.8 Ų | 58.8 | 99% | 0.991 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -79.6 | 72.4 | -167.4 | -68.9 | -177.2 | -11.2 | 0 | 0 | 112.1 | ||
| 193 | G | 51 | Low | 79.6 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 169.6 | 153.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E191 S195 | E191-G193 VanDerWaalsContact C-N 3.29Å; E191-G193 PolarHBondContact O-N 3.19Å; G193-S195 PolarHBondContact O-N 3.32Å |
| 194 | K | 57.9 | Low | 79.7 | Confident | 196 Ų | 196 | 58.8 Ų | 58.8 | 85% | 0.852 | 29% | 0.294 | S | S | * | . | trans | -74.2 | 74.7 | 174.7 | -66.7 | -175.9 | 178.7 | -175.8 | 0 | 110.3 | ||||
| 195 | S | 78.6 | Confident | 79.9 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | trans | -58.1 | 149.1 | 177.4 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | G193 K197 H198 R199 | G193-S195 PolarHBondContact O-N 3.32Å; S195-K197 PolarHBondContact O-N 2.81Å; S195-H198 PolarHBondContact O-N 3.01Å; S195-H198 PolarHBondContact OG-N 3.19Å; S195-R199 PolarHBondContact O-N 3.06Å; S195-R199 VanDerWaalsContact O-N 3.09Å | ||
| 196 | G | 85.6 | Confident | 80 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.1 | -30.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D151 R199 L200 | D151-G196 PolarHBondContact OD1-N 2.84Å; G196-R199 PolarHBondContact O-N 3.35Å; G196-L200 PolarHBondContact O-N 2.94Å |
| 197 | K | 90.2 | Very high | 80.2 | Confident | 76 Ų | 76 | 68 Ų | 68 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.6 | -40.5 | 177.7 | -53.8 | 179.9 | -166 | 170.7 | 0 | 113 | Y146 C149 H186 S195 R199 S201 | Y146-K197 HydrophobicContact CD1-CB 3.9Å; Y146-K197 HydrophobicContact CD1-CG 4.23Å; Y146-K197 HydrophobicContact CE1-CB 4.42Å; Y146-K197 WeakPolarHBondContact CE1-O 3.26Å; Y146-K197 WeakPolarHBondContact O-CD 3.5Å; Y146-K197 WeakPolarHBondContact O-CE 3.4Å; Y146-K197 WeakPolarHBondContact O-CG 3.41Å; C149-K197 HydrophobicContact CB-CG 4.09Å; H186-K197 HydrophobicContact CB-CB 4.38Å; S195-K197 PolarHBondContact O-N 2.81Å; K197-R199 VanDerWaalsContact C-N 3.33Å; K197-S201 WeakPolarHBondContact O-CB 3.37Å; K197-S201 PolarHBondContact O-N 3.14Å; K197-S201 VanDerWaalsContact O-N 3.08Å; K197-S201 PolarHBondContact O-OG 2.96Å |
| 198 | H | 89.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 170.9 | 176.7 | -69.5 | 0 | 0 | 0 | 109.8 | L187 S195 L200 S201 A202 | L187-H198 PolarHBondContact O-CD2 3.45Å; S195-H198 PolarHBondContact O-N 3.01Å; S195-H198 PolarHBondContact OG-N 3.19Å; H198-L200 PolarHBondContact O-N 3.19Å; H198-S201 PolarHBondContact O-N 3.33Å; H198-A202 WeakPolarHBondContact O-CB 3.36Å; H198-A202 PolarHBondContact O-N 3.18Å |
| 199 | R | 90.3 | Very high | 80.8 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57 | -49.9 | 179 | -177.4 | 177.9 | 171 | 175 | -6.3 | 112.1 | E155 W158 S195 G196 K197 S201 A202 E203 | E155-R199 IonicContact OE1-CZ 3.51Å; E155-R199 IonicContact OE1-NH1 3.79Å; E155-R199 PolarHBondContact OE1-NH1 3.47Å; E155-R199 IonicContact OE1-NH2 2.67Å; E155-R199 IonicContact OE2-CZ 3Å; E155-R199 IonicContact OE2-NH1 3.02Å; E155-R199 PolarHBondContact OE2-NH1 3.37Å; E155-R199 IonicContact OE2-NH2 3.58Å; E155-R199 PolarHBondContact OE2-NH2 2.57Å; W158-R199 HydrophobicContact CZ2-CG 3.75Å; S195-R199 PolarHBondContact O-N 3.06Å; S195-R199 VanDerWaalsContact O-N 3.09Å; G196-R199 PolarHBondContact O-N 3.35Å; K197-R199 VanDerWaalsContact C-N 3.33Å; R199-S201 PolarHBondContact O-N 3.29Å; R199-A202 PolarHBondContact O-N 3.2Å; R199-E203 PolarHBondContact O-N 2.99Å |
| 200 | L | 93.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.4 | 179.3 | 62.8 | 0 | 0 | 0 | 112.2 | L145 Y146 V161 A162 G196 H198 A202 E203 I204 | L145-L200 HydrophobicContact CB-CD2 4.19Å; Y146-L200 HydrophobicContact CD1-CD2 3.98Å; Y146-L200 HydrophobicContact CE1-CB 4.13Å; Y146-L200 HydrophobicContact CE1-CD2 3.89Å; Y146-L200 HydrophobicContact CE1-CG 4.12Å; V161-L200 HydrophobicContact CG1-CD2 4.28Å; A162-L200 HydrophobicContact CB-CD1 4.45Å; G196-L200 PolarHBondContact O-N 2.94Å; H198-L200 PolarHBondContact O-N 3.19Å; L200-A202 PolarHBondContact O-N 3.03Å; L200-E203 PolarHBondContact O-N 3.07Å; L200-I204 HydrophobicContact CD1-CD1 4.14Å; L200-I204 HydrophobicContact CD1-CG1 4.36Å; L200-I204 HydrophobicContact CG-CD1 3.97Å; L200-I204 WeakPolarHBondContact O-CG1 3.44Å; L200-I204 PolarHBondContact O-N 3.47Å |
| 201 | S | 93 | Very high | 83 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.9 | -51.3 | 0 | 0 | 0 | 0 | 112 | Y146 H186 K197 H198 R199 E203 I205 | Y146-S201 WeakPolarHBondContact CE1-OG 3.44Å; Y146-S201 PolarHBondContact OH-OG 2.69Å; H186-S201 WeakPolarHBondContact CB-OG 3.35Å; K197-S201 WeakPolarHBondContact O-CB 3.37Å; K197-S201 PolarHBondContact O-N 3.14Å; K197-S201 VanDerWaalsContact O-N 3.08Å; K197-S201 PolarHBondContact O-OG 2.96Å; H198-S201 PolarHBondContact O-N 3.33Å; R199-S201 PolarHBondContact O-N 3.29Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-E203 PolarHBondContact O-N 3.2Å; S201-I205 WeakPolarHBondContact O-CD1 3.42Å; S201-I205 VanDerWaalsContact O-CG1 3.26Å; S201-I205 WeakPolarHBondContact O-CG1 3.38Å; S201-I205 PolarHBondContact O-N 2.95Å; S201-I205 VanDerWaalsContact O-N 3.09Å |
| 202 | A | 91.6 | Very high | 84.6 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 12% | 0.116 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H198 R199 L200 I205 Q206 V248 | H198-A202 WeakPolarHBondContact O-CB 3.36Å; H198-A202 PolarHBondContact O-N 3.18Å; R199-A202 PolarHBondContact O-N 3.2Å; L200-A202 PolarHBondContact O-N 3.03Å; A202-I205 PolarHBondContact O-N 2.79Å; A202-Q206 WeakPolarHBondContact O-CB 3.45Å; A202-Q206 PolarHBondContact O-N 3.18Å; A202-V248 HydrophobicContact CB-CB 4.46Å; A202-V248 HydrophobicContact CB-CG1 3.82Å; A202-V248 HydrophobicContact CB-CG2 3.72Å; A202-V248 VanDerWaalsContact O-CG1 3.28Å; A202-V248 WeakPolarHBondContact O-CG1 3.04Å |
| 203 | E | 92.6 | Very high | 86.6 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.4 | -38.7 | -179.9 | -145.7 | -165.5 | 162.7 | 0 | 0 | 113 | W158 A162 R199 L200 S201 I205 Q206 R207 | W158-E203 WeakPolarHBondContact CH2-OE2 3.48Å; W158-E203 WeakPolarHBondContact CZ2-OE2 3.35Å; A162-E203 WeakPolarHBondContact CB-OE2 3.38Å; R199-E203 PolarHBondContact O-N 2.99Å; L200-E203 PolarHBondContact O-N 3.07Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-E203 PolarHBondContact O-N 3.2Å; E203-I205 VanDerWaalsContact C-N 3.28Å; E203-I205 PolarHBondContact O-N 2.86Å; E203-Q206 PolarHBondContact O-N 3.37Å; E203-R207 HydrophobicContact CG-CG 4.25Å; E203-R207 VanDerWaalsContact O-CB 3.31Å; E203-R207 WeakPolarHBondContact O-CB 3.48Å; E203-R207 WeakPolarHBondContact O-CG 3.46Å; E203-R207 PolarHBondContact O-N 3.06Å; E203-R207 WeakPolarHBondContact OE1-CD 3.5Å; E203-R207 IonicContact OE1-CZ 3.83Å; E203-R207 IonicContact OE1-NE 3.28Å; E203-R207 IonicContact OE1-NH1 3.8Å; E203-R207 PolarHBondContact OE1-NH1 3.39Å |
| 204 | I | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -45.6 | 170.1 | -68.7 | 166.1 | 0 | 0 | 0 | 110 | Y142 V166 F169 V183 L200 C208 | Y142-I204 HydrophobicContact CD1-CD1 4.35Å; Y142-I204 HydrophobicContact CE1-CD1 3.93Å; V166-I204 HydrophobicContact CG2-CG1 4.02Å; F169-I204 HydrophobicContact CB-CG2 4.18Å; F169-I204 HydrophobicContact CD1-CG2 3.78Å; F169-I204 HydrophobicContact CD2-CG2 3.79Å; F169-I204 HydrophobicContact CE1-CG2 4.09Å; F169-I204 HydrophobicContact CE2-CG2 4.08Å; F169-I204 HydrophobicContact CG-CG2 3.63Å; F169-I204 HydrophobicContact CZ-CG2 4.22Å; V183-I204 HydrophobicContact CG1-CG2 4.4Å; L200-I204 HydrophobicContact CD1-CD1 4.14Å; L200-I204 HydrophobicContact CD1-CG1 4.36Å; L200-I204 HydrophobicContact CG-CD1 3.97Å; L200-I204 WeakPolarHBondContact O-CG1 3.44Å; L200-I204 PolarHBondContact O-N 3.47Å; I204-C208 VanDerWaalsContact O-CB 3.25Å; I204-C208 WeakPolarHBondContact O-CB 3.48Å; I204-C208 PolarHBondContact O-N 3.15Å; I204-C208 PolarHBondContact O-SG 2.98Å; I204-C208 VanDerWaalsContact O-SG 3.38Å |
| 205 | I | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 179.1 | -68.4 | 162.9 | 0 | 0 | 0 | 112.6 | V183 L187 S201 A202 E203 L212 F245 V248 N249 L252 | V183-I205 HydrophobicContact CG1-CD1 4.24Å; V183-I205 HydrophobicContact CG1-CG1 4.26Å; L187-I205 HydrophobicContact CB-CD1 4.47Å; L187-I205 HydrophobicContact CD1-CD1 4.16Å; L187-I205 HydrophobicContact CD2-CD1 3.8Å; L187-I205 HydrophobicContact CG-CD1 4.37Å; S201-I205 WeakPolarHBondContact O-CD1 3.42Å; S201-I205 VanDerWaalsContact O-CG1 3.26Å; S201-I205 WeakPolarHBondContact O-CG1 3.38Å; S201-I205 PolarHBondContact O-N 2.95Å; S201-I205 VanDerWaalsContact O-N 3.09Å; A202-I205 PolarHBondContact O-N 2.79Å; E203-I205 VanDerWaalsContact C-N 3.28Å; E203-I205 PolarHBondContact O-N 2.86Å; I205-L212 HydrophobicContact CB-CD1 4.31Å; I205-L212 HydrophobicContact CG1-CD1 4.11Å; I205-F245 HydrophobicContact CB-CZ 4.3Å; I205-F245 HydrophobicContact CD1-CE2 3.59Å; I205-F245 HydrophobicContact CD1-CZ 3.66Å; I205-F245 HydrophobicContact CG1-CE2 4.25Å; I205-F245 HydrophobicContact CG1-CZ 3.79Å; I205-F245 HydrophobicContact CG2-CD1 4.3Å; I205-F245 HydrophobicContact CG2-CE1 3.55Å; I205-F245 HydrophobicContact CG2-CE2 4.25Å; I205-F245 HydrophobicContact CG2-CZ 3.51Å; I205-V248 HydrophobicContact CB-CG1 4.21Å; I205-V248 HydrophobicContact CG2-CG1 4Å; I205-N249 HydrophobicContact CG2-CB 3.92Å; I205-N249 PolarHBondContact O-ND2 3.08Å; I205-L252 HydrophobicContact CG2-CD1 4.46Å |
| 206 | Q | 92 | Very high | 89.9 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 58% | 0.579 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -79.3 | -28.6 | -179.6 | -166 | 172.9 | 21.9 | 0 | 0 | 113 | A202 E203 V248 | A202-Q206 WeakPolarHBondContact O-CB 3.45Å; A202-Q206 PolarHBondContact O-N 3.18Å; E203-Q206 PolarHBondContact O-N 3.37Å; Q206-V248 HydrophobicContact CB-CG1 4.41Å |
| 207 | R | 92.3 | Very high | 90 | Very high | 115 Ų | 115 | 44.9 Ų | 44.9 | 43% | 0.434 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -102 | -18.1 | -175.7 | -65.5 | 177.4 | 67.5 | 157.7 | -4.8 | 114.5 | V166 R170 E203 | V166-R207 HydrophobicContact CG1-CB 3.55Å; V166-R207 HydrophobicContact CG1-CG 4.37Å; R170-R207 PolarHBondContact NH2-O 2.98Å; E203-R207 HydrophobicContact CG-CG 4.25Å; E203-R207 VanDerWaalsContact O-CB 3.31Å; E203-R207 WeakPolarHBondContact O-CB 3.48Å; E203-R207 WeakPolarHBondContact O-CG 3.46Å; E203-R207 PolarHBondContact O-N 3.06Å; E203-R207 WeakPolarHBondContact OE1-CD 3.5Å; E203-R207 IonicContact OE1-CZ 3.83Å; E203-R207 IonicContact OE1-NE 3.28Å; E203-R207 IonicContact OE1-NH1 3.8Å; E203-R207 PolarHBondContact OE1-NH1 3.39Å |
| 208 | C | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -113.4 | 33.7 | 178.5 | -45.4 | 0 | 0 | 0 | 0 | 112.2 | V166 F169 I204 D210 T211 L212 | V166-C208 PolarHBondContact O-SG 3.15Å; F169-C208 HydrophobicContact CD1-CB 3.89Å; I204-C208 VanDerWaalsContact O-CB 3.25Å; I204-C208 WeakPolarHBondContact O-CB 3.48Å; I204-C208 PolarHBondContact O-N 3.15Å; I204-C208 PolarHBondContact O-SG 2.98Å; I204-C208 VanDerWaalsContact O-SG 3.38Å; C208-D210 VanDerWaalsContact C-N 3.29Å; C208-D210 VanDerWaalsContact C-OD1 3.23Å; C208-D210 WeakPolarHBondContact CA-OD1 3.15Å; C208-D210 PolarHBondContact O-N 3.24Å; C208-T211 PolarHBondContact O-N 3.36Å; C208-L212 HydrophobicContact CB-CD1 4.32Å; C208-L212 HydrophobicContact CB-CG 4.49Å; C208-L212 VanDerWaalsContact O-CB 3.3Å; C208-L212 WeakPolarHBondContact O-CB 3.34Å; C208-L212 WeakPolarHBondContact O-CD1 3.4Å; C208-L212 VanDerWaalsContact O-CG 3.26Å; C208-L212 WeakPolarHBondContact O-CG 3.35Å; C208-L212 PolarHBondContact O-N 3.12Å | ||
| 209 | E | 88.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56 | -43.5 | -177.9 | 168.2 | 160 | -168.5 | 0 | 0 | 112.4 | L212 Q213 N249 S251 L252 | E209-L212 PolarHBondContact O-N 3.26Å; E209-Q213 VanDerWaalsContact O-CB 3.27Å; E209-Q213 WeakPolarHBondContact O-CB 3.1Å; E209-Q213 PolarHBondContact O-N 3.24Å; E209-N249 VanDerWaalsContact CD-ND2 3.32Å; E209-N249 PolarHBondContact OE2-ND2 3.05Å; E209-N249 PolarHBondContact OE2-OD1 3.37Å; E209-S251 WeakPolarHBondContact OE1-CB 3.39Å; E209-S251 PolarHBondContact OE1-OG 2.96Å; E209-S251 PolarHBondContact OE2-OG 3.3Å; E209-L252 HydrophobicContact CB-CD1 4.25Å; E209-L252 HydrophobicContact CB-CG 4.49Å; E209-L252 HydrophobicContact CG-CD1 4.05Å; E209-L252 HydrophobicContact CG-CD2 3.86Å; E209-L252 HydrophobicContact CG-CG 3.75Å |
| 210 | D | 88 | Confident | 89.3 | Confident | 98 Ų | 98 | 39.4 Ų | 39.4 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54 | -50.9 | 173.5 | 48.3 | -2.1 | 0 | 0 | 0 | 113.1 | C208 | C208-D210 VanDerWaalsContact C-N 3.29Å; C208-D210 VanDerWaalsContact C-OD1 3.23Å; C208-D210 WeakPolarHBondContact CA-OD1 3.15Å; C208-D210 PolarHBondContact O-N 3.24Å |
| 211 | T | 89 | Confident | 88.9 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.8 | -35.5 | 179.5 | -43.3 | 0 | 0 | 0 | 0 | 111.9 | R170 I175 C208 | R170-T211 WeakPolarHBondContact CA-OG1 3.38Å; R170-T211 WeakPolarHBondContact O-CG2 3.47Å; R170-T211 PolarHBondContact O-OG1 2.92Å; I175-T211 HydrophobicContact CD1-CG2 4.31Å; C208-T211 PolarHBondContact O-N 3.36Å |
| 212 | L | 88.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -79.5 | -34.3 | -176.6 | -75.2 | 167.9 | 0 | 0 | 0 | 113.7 | F169 I175 M180 I205 C208 E209 S214 S215 I216 L252 | F169-L212 HydrophobicContact CE1-CD1 4.48Å; F169-L212 HydrophobicContact CE1-CD2 3.55Å; F169-L212 HydrophobicContact CE1-CG 3.91Å; F169-L212 HydrophobicContact CZ-CD2 3.83Å; I175-L212 HydrophobicContact CD1-CD2 3.8Å; M180-L212 HydrophobicContact CE-CD2 3.84Å; M180-L212 HydrophobicContact SD-CD2 4.13Å; I205-L212 HydrophobicContact CB-CD1 4.31Å; I205-L212 HydrophobicContact CG1-CD1 4.11Å; C208-L212 HydrophobicContact CB-CD1 4.32Å; C208-L212 HydrophobicContact CB-CG 4.49Å; C208-L212 VanDerWaalsContact O-CB 3.3Å; C208-L212 WeakPolarHBondContact O-CB 3.34Å; C208-L212 WeakPolarHBondContact O-CD1 3.4Å; C208-L212 VanDerWaalsContact O-CG 3.26Å; C208-L212 WeakPolarHBondContact O-CG 3.35Å; C208-L212 PolarHBondContact O-N 3.12Å; E209-L212 PolarHBondContact O-N 3.26Å; L212-S214 PolarHBondContact O-N 3.4Å; L212-S215 PolarHBondContact O-N 3.18Å; L212-S215 VanDerWaalsContact O-N 3.1Å; L212-I216 HydrophobicContact CB-CD1 3.92Å; L212-I216 HydrophobicContact CB-CG1 4.37Å; L212-I216 HydrophobicContact CD2-CD1 4.12Å; L212-I216 HydrophobicContact CG-CD1 4.44Å; L212-I216 WeakPolarHBondContact O-CG1 3.06Å; L212-I216 PolarHBondContact O-N 3.34Å; L212-L252 HydrophobicContact CB-CD1 4.47Å |
| 213 | Q | 88 | Confident | 87.9 | Confident | 83 Ų | 83 | 44.8 Ų | 44.8 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -50.5 | -56.3 | -165.5 | -176.9 | 175.6 | 5.6 | 0 | 0 | 113 | E209 S215 I216 L217 L252 | E209-Q213 VanDerWaalsContact O-CB 3.27Å; E209-Q213 WeakPolarHBondContact O-CB 3.1Å; E209-Q213 PolarHBondContact O-N 3.24Å; Q213-S215 VanDerWaalsContact C-N 3.32Å; Q213-S215 PolarHBondContact O-N 3.47Å; Q213-I216 PolarHBondContact O-N 3.35Å; Q213-L217 HydrophobicContact CG-CD1 3.64Å; Q213-L217 HydrophobicContact CG-CG 4.3Å; Q213-L217 WeakPolarHBondContact O-CB 3.4Å; Q213-L217 WeakPolarHBondContact O-CG 3.17Å; Q213-L217 PolarHBondContact O-N 3.37Å; Q213-L252 HydrophobicContact CB-CD2 3.78Å; Q213-L252 HydrophobicContact CG-CD2 3.97Å |
| 214 | S | 86.6 | Confident | 87.2 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 65% | 0.65 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | -177.9 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | L212 S218 | L212-S214 PolarHBondContact O-N 3.4Å; S214-S218 VanDerWaalsContact O-CB 3.32Å; S214-S218 WeakPolarHBondContact O-CB 3.37Å; S214-S218 PolarHBondContact O-N 3Å; S214-S218 VanDerWaalsContact O-N 3.11Å |
| 215 | S | 85.7 | Confident | 86.5 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | L212 Q213 A219 | L212-S215 PolarHBondContact O-N 3.18Å; L212-S215 VanDerWaalsContact O-N 3.1Å; Q213-S215 VanDerWaalsContact C-N 3.32Å; Q213-S215 PolarHBondContact O-N 3.47Å; S215-A219 WeakPolarHBondContact O-CB 3.49Å; S215-A219 PolarHBondContact O-N 2.99Å |
| 216 | I | 84.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.5 | -42.2 | -179.1 | -67.5 | -173.2 | 0 | 0 | 0 | 111.5 | M180 L212 Q213 S218 A219 F220 F245 T256 | M180-I216 HydrophobicContact CE-CG1 4.21Å; M180-I216 HydrophobicContact SD-CG1 4.39Å; L212-I216 HydrophobicContact CB-CD1 3.92Å; L212-I216 HydrophobicContact CB-CG1 4.37Å; L212-I216 HydrophobicContact CD2-CD1 4.12Å; L212-I216 HydrophobicContact CG-CD1 4.44Å; L212-I216 WeakPolarHBondContact O-CG1 3.06Å; L212-I216 PolarHBondContact O-N 3.34Å; Q213-I216 PolarHBondContact O-N 3.35Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 3.4Å; I216-A219 PolarHBondContact O-N 3.41Å; I216-F220 HydrophobicContact CG2-CD2 3.71Å; I216-F220 HydrophobicContact CG2-CE2 3.95Å; I216-F220 PolarHBondContact O-N 2.93Å; I216-F245 HydrophobicContact CD1-CD1 4.5Å; I216-F245 HydrophobicContact CD1-CE1 3.37Å; I216-F245 HydrophobicContact CD1-CE2 4.36Å; I216-F245 HydrophobicContact CD1-CZ 3.3Å; I216-F245 HydrophobicContact CG2-CE1 4.48Å; I216-T256 HydrophobicContact CG2-CG2 4.5Å |
| 217 | L | 87.5 | Confident | 83.9 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.2 | -68.1 | 173.7 | 0 | 0 | 0 | 111.3 | Q213 S221 A255 T256 F259 | Q213-L217 HydrophobicContact CG-CD1 3.64Å; Q213-L217 HydrophobicContact CG-CG 4.3Å; Q213-L217 WeakPolarHBondContact O-CB 3.4Å; Q213-L217 WeakPolarHBondContact O-CG 3.17Å; Q213-L217 PolarHBondContact O-N 3.37Å; L217-S221 VanDerWaalsContact O-CB 3.28Å; L217-S221 WeakPolarHBondContact O-CB 3.47Å; L217-S221 PolarHBondContact O-N 3.36Å; L217-A255 HydrophobicContact CD2-CB 3.92Å; L217-A255 VanDerWaalsContact CD2-O 3.27Å; L217-A255 WeakPolarHBondContact CD2-O 3.07Å; L217-T256 HydrophobicContact CD2-CG2 3.88Å; L217-F259 HydrophobicContact CB-CE2 3.85Å; L217-F259 HydrophobicContact CB-CZ 4.1Å; L217-F259 HydrophobicContact CD2-CE2 3.68Å; L217-F259 HydrophobicContact CD2-CZ 4.38Å; L217-F259 HydrophobicContact CG-CE2 4.35Å; L217-F259 VanDerWaalsContact O-CE2 3.29Å; L217-F259 WeakPolarHBondContact O-CE2 3.42Å |
| 218 | S | 85.6 | Confident | 82.2 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 174 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | S214 I216 S221 T222 | S214-S218 VanDerWaalsContact O-CB 3.32Å; S214-S218 WeakPolarHBondContact O-CB 3.37Å; S214-S218 PolarHBondContact O-N 3Å; S214-S218 VanDerWaalsContact O-N 3.11Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 3.4Å; S218-S221 PolarHBondContact O-N 2.85Å; S218-T222 WeakPolarHBondContact O-CB 3.48Å; S218-T222 PolarHBondContact O-N 3.5Å; S218-T222 PolarHBondContact O-OG1 2.7Å |
| 219 | A | 83.4 | Confident | 80.4 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S215 I216 T222 A223 F234 | S215-A219 WeakPolarHBondContact O-CB 3.49Å; S215-A219 PolarHBondContact O-N 2.99Å; I216-A219 PolarHBondContact O-N 3.41Å; A219-T222 PolarHBondContact O-N 2.65Å; A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 2.85Å; A219-F234 HydrophobicContact CB-CD1 4.44Å; A219-F234 HydrophobicContact CB-CD2 3.96Å; A219-F234 HydrophobicContact CB-CE1 4.13Å; A219-F234 HydrophobicContact CB-CE2 3.59Å; A219-F234 HydrophobicContact CB-CG 4.37Å; A219-F234 HydrophobicContact CB-CZ 3.7Å |
| 220 | F | 85.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.8 | -93.6 | -82 | 0 | 0 | 0 | 112.6 | I216 L224 F234 T238 I241 F242 T256 | I216-F220 HydrophobicContact CG2-CD2 3.71Å; I216-F220 HydrophobicContact CG2-CE2 3.95Å; I216-F220 PolarHBondContact O-N 2.93Å; F220-L224 WeakPolarHBondContact O-CB 3.46Å; F220-L224 WeakPolarHBondContact O-CD1 3.27Å; F220-L224 VanDerWaalsContact O-CG 3.23Å; F220-L224 WeakPolarHBondContact O-CG 3.27Å; F220-L224 PolarHBondContact O-N 3.36Å; F220-F234 HydrophobicContact CD1-CE1 4.33Å; F220-F234 AromaticContact CD2-CE1 3.9Å; F220-F234 HydrophobicContact CD2-CE1 3.9Å; F220-F234 AromaticContact CD2-CZ 3.66Å; F220-F234 HydrophobicContact CD2-CZ 3.66Å; F220-F234 HydrophobicContact CE1-CE1 4.43Å; F220-F234 HydrophobicContact CE2-CE1 4.01Å; F220-F234 AromaticContact CE2-CZ 3.68Å; F220-F234 HydrophobicContact CE2-CZ 3.68Å; F220-F234 HydrophobicContact CG-CE1 4.07Å; F220-F234 HydrophobicContact CG-CZ 4.29Å; F220-F234 HydrophobicContact CZ-CE1 4.28Å; F220-F234 HydrophobicContact CZ-CZ 4.32Å; F220-T238 HydrophobicContact CD1-CG2 3.9Å; F220-T238 HydrophobicContact CE1-CG2 3.61Å; F220-I241 HydrophobicContact CE2-CG2 4.09Å; F220-I241 HydrophobicContact CZ-CG2 3.94Å; F220-F242 HydrophobicContact CE1-CB 4.05Å; F220-F242 AromaticContact CE1-CD2 3.96Å; F220-F242 HydrophobicContact CE1-CD2 3.96Å; F220-F242 HydrophobicContact CZ-CB 4Å; F220-F242 HydrophobicContact CZ-CD2 4.19Å; F220-T256 HydrophobicContact CB-CG2 3.97Å; F220-T256 HydrophobicContact CD1-CG2 4.44Å; F220-T256 HydrophobicContact CD2-CG2 3.6Å; F220-T256 HydrophobicContact CE2-CG2 4.17Å; F220-T256 HydrophobicContact CG-CG2 3.75Å |
| 221 | S | 84.8 | Confident | 76.4 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | L217 S218 A223 L224 F225 | L217-S221 VanDerWaalsContact O-CB 3.28Å; L217-S221 WeakPolarHBondContact O-CB 3.47Å; L217-S221 PolarHBondContact O-N 3.36Å; S218-S221 PolarHBondContact O-N 2.85Å; S221-A223 PolarHBondContact O-N 2.98Å; S221-L224 PolarHBondContact O-N 3.44Å; S221-F225 WeakPolarHBondContact O-CB 3.5Å; S221-F225 VanDerWaalsContact O-CD2 3.27Å; S221-F225 WeakPolarHBondContact O-CD2 3.09Å; S221-F225 PolarHBondContact O-N 3.43Å |
| 222 | T | 83.7 | Confident | 75.4 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 178.7 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | S218 A219 L224 F225 D226 | S218-T222 WeakPolarHBondContact O-CB 3.48Å; S218-T222 PolarHBondContact O-N 3.5Å; S218-T222 PolarHBondContact O-OG1 2.7Å; A219-T222 PolarHBondContact O-N 2.65Å; T222-L224 VanDerWaalsContact C-N 3.29Å; T222-L224 PolarHBondContact O-N 3.05Å; T222-F225 PolarHBondContact O-N 3.01Å; T222-D226 PolarHBondContact O-N 2.77Å |
| 223 | A | 80.9 | Confident | 75.1 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -25.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A219 S221 F234 A235 | A219-A223 WeakPolarHBondContact O-CB 3.28Å; A219-A223 PolarHBondContact O-N 2.85Å; S221-A223 PolarHBondContact O-N 2.98Å; A223-F234 HydrophobicContact CB-CD1 3.93Å; A223-F234 HydrophobicContact CB-CE1 4.48Å; A223-A235 HydrophobicContact CB-CB 4.28Å |
| 224 | L | 78.4 | Confident | 74.7 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -85.3 | -37.1 | 175.4 | -70.3 | 170.8 | 0 | 0 | 0 | 112.6 | F220 S221 T222 F259 I260 N263 | F220-L224 WeakPolarHBondContact O-CB 3.46Å; F220-L224 WeakPolarHBondContact O-CD1 3.27Å; F220-L224 VanDerWaalsContact O-CG 3.23Å; F220-L224 WeakPolarHBondContact O-CG 3.27Å; F220-L224 PolarHBondContact O-N 3.36Å; S221-L224 PolarHBondContact O-N 3.44Å; T222-L224 VanDerWaalsContact C-N 3.29Å; T222-L224 PolarHBondContact O-N 3.05Å; L224-F259 HydrophobicContact CD1-CB 3.95Å; L224-I260 HydrophobicContact CD1-CG1 3.89Å; L224-N263 PolarHBondContact O-ND2 3.49Å |
| 225 | F | 78.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -99.2 | -33.9 | -170.7 | -73.3 | -72.8 | 0 | 0 | 0 | 115.5 | S221 T222 S227 F259 Q262 N263 | S221-F225 WeakPolarHBondContact O-CB 3.5Å; S221-F225 VanDerWaalsContact O-CD2 3.27Å; S221-F225 WeakPolarHBondContact O-CD2 3.09Å; S221-F225 PolarHBondContact O-N 3.43Å; T222-F225 PolarHBondContact O-N 3.01Å; F225-S227 PolarHBondContact O-N 2.7Å; F225-F259 HydrophobicContact CE2-CB 4.15Å; F225-F259 HydrophobicContact CE2-CD1 4.48Å; F225-Q262 HydrophobicContact CE1-CG 4.24Å; F225-Q262 HydrophobicContact CZ-CB 3.87Å; F225-Q262 HydrophobicContact CZ-CG 3.68Å; F225-N263 HydrophobicContact CD1-CB 4.11Å; F225-N263 WeakPolarHBondContact CD1-OD1 3.49Å; F225-N263 HydrophobicContact CE1-CB 3.45Å; F225-N263 VanDerWaalsContact CE1-CB 3.45Å; F225-N263 WeakPolarHBondContact CE1-OD1 3.37Å; F225-N263 HydrophobicContact CE2-CB 4.43Å; F225-N263 HydrophobicContact CZ-CB 3.62Å |
| 226 | D | 72.1 | Confident | 74 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | trans | -94.2 | 103.7 | -178.8 | -165.1 | -8.5 | 0 | 0 | 0 | 112.6 | T222 K228 S229 | T222-D226 PolarHBondContact O-N 2.77Å; D226-K228 PolarHBondContact O-N 3.34Å; D226-K228 WeakPolarHBondContact OD1-CB 3.38Å; D226-K228 WeakPolarHBondContact OD1-CG 3.44Å; D226-K228 PolarHBondContact OD1-N 3.01Å; D226-S229 PolarHBondContact O-N 3.34Å; D226-S229 PolarHBondContact O-OG 3.42Å | ||
| 227 | S | 57.2 | Low | 74 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -49.4 | -20.3 | 170 | 58.4 | 0 | 0 | 0 | 0 | 115.8 | F225 L230 | F225-S227 PolarHBondContact O-N 2.7Å; S227-L230 WeakPolarHBondContact O-CD1 3.37Å |
| 228 | K | 57.3 | Low | 74 | Confident | 170 Ų | 170 | 61 Ų | 61 | 74% | 0.739 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -80.6 | -23.4 | 176.9 | -63.6 | 175.7 | -177.9 | 173.1 | 0 | 113.4 | D226 L230 | D226-K228 PolarHBondContact O-N 3.34Å; D226-K228 WeakPolarHBondContact OD1-CB 3.38Å; D226-K228 WeakPolarHBondContact OD1-CG 3.44Å; D226-K228 PolarHBondContact OD1-N 3.01Å; K228-L230 PolarHBondContact O-N 3.38Å |
| 229 | S | 54.6 | Low | 74.2 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -76.4 | 4.3 | -179.3 | 70.6 | 0 | 0 | 0 | 0 | 113.9 | D226 T231 D232 A235 | D226-S229 PolarHBondContact O-N 3.34Å; D226-S229 PolarHBondContact O-OG 3.42Å; S229-T231 PolarHBondContact O-N 2.94Å; S229-D232 WeakPolarHBondContact CA-OD2 3.46Å; S229-D232 WeakPolarHBondContact CB-OD2 3.35Å; S229-D232 WeakPolarHBondContact O-CB 3.31Å; S229-D232 PolarHBondContact O-N 3.04Å; S229-A235 WeakPolarHBondContact O-CB 3.26Å |
| 230 | L | 42.7 | Very low | 74.5 | Confident | 133 Ų | 133 | 60.4 Ų | 60.4 | 70% | 0.696 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -61 | -14.7 | -179.8 | -75.1 | 172.8 | 0 | 0 | 0 | 114.6 | S227 K228 | S227-L230 WeakPolarHBondContact O-CD1 3.37Å; K228-L230 PolarHBondContact O-N 3.38Å |
| 231 | T | 49.4 | Very low | 74.6 | Confident | 132 Ų | 132 | 60.3 Ų | 60.3 | 81% | 0.81 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -89.6 | -14.1 | 170.7 | 48.7 | 0 | 0 | 0 | 0 | 114 | S229 | S229-T231 PolarHBondContact O-N 2.94Š|
| 232 | D | 69.5 | Low | 74.9 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -75.1 | 138.7 | -179.2 | -67.1 | -44.9 | 0 | 0 | 0 | 110.9 | S229 F234 A235 A236 | S229-D232 WeakPolarHBondContact CA-OD2 3.46Å; S229-D232 WeakPolarHBondContact CB-OD2 3.35Å; S229-D232 WeakPolarHBondContact O-CB 3.31Å; S229-D232 PolarHBondContact O-N 3.04Å; D232-F234 PolarHBondContact O-N 3.48Å; D232-F234 VanDerWaalsContact O-N 3.07Å; D232-A235 PolarHBondContact O-N 3Å; D232-A236 PolarHBondContact O-N 3.25Å |
| 233 | W | 80.4 | Confident | 75.2 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.9 | -34.3 | -177 | 178.9 | 93.3 | 0 | 0 | 0 | 112.9 | Q181 L184 N237 I241 | Q181-W233 HydrophobicContact CB-CE3 4.42Å; Q181-W233 HydrophobicContact CG-CD2 4.41Å; Q181-W233 HydrophobicContact CG-CE3 3.94Å; L184-W233 HydrophobicContact CB-CH2 3.74Å; L184-W233 HydrophobicContact CB-CZ3 3.78Å; L184-W233 HydrophobicContact CD1-CZ3 4.32Å; W233-N237 HydrophobicContact CH2-CB 4.49Å; W233-N237 HydrophobicContact CZ2-CB 4.45Å; W233-N237 PolarHBondContact NE1-ND2 3.09Å; W233-N237 WeakPolarHBondContact O-CB 3.28Å; W233-N237 PolarHBondContact O-N 3.05Å; W233-N237 PolarHBondContact O-ND2 3.31Å; W233-I241 HydrophobicContact CH2-CD1 4.07Å; W233-I241 HydrophobicContact CH2-CG1 4.49Å; W233-I241 HydrophobicContact CZ3-CD1 3.72Å |
| 234 | F | 80.8 | Confident | 75.5 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 178.5 | -159.8 | -72.3 | 0 | 0 | 0 | 111.8 | L184 A219 F220 A223 D232 A236 N237 T238 I241 | L184-F234 HydrophobicContact CD1-CD2 3.78Å; L184-F234 HydrophobicContact CD1-CE2 3.44Å; L184-F234 VanDerWaalsContact CD1-CE2 3.44Å; A219-F234 HydrophobicContact CB-CD1 4.44Å; A219-F234 HydrophobicContact CB-CD2 3.96Å; A219-F234 HydrophobicContact CB-CE1 4.13Å; A219-F234 HydrophobicContact CB-CE2 3.59Å; A219-F234 HydrophobicContact CB-CG 4.37Å; A219-F234 HydrophobicContact CB-CZ 3.7Å; F220-F234 HydrophobicContact CD1-CE1 4.33Å; F220-F234 AromaticContact CD2-CE1 3.9Å; F220-F234 HydrophobicContact CD2-CE1 3.9Å; F220-F234 AromaticContact CD2-CZ 3.66Å; F220-F234 HydrophobicContact CD2-CZ 3.66Å; F220-F234 HydrophobicContact CE1-CE1 4.43Å; F220-F234 HydrophobicContact CE2-CE1 4.01Å; F220-F234 AromaticContact CE2-CZ 3.68Å; F220-F234 HydrophobicContact CE2-CZ 3.68Å; F220-F234 HydrophobicContact CG-CE1 4.07Å; F220-F234 HydrophobicContact CG-CZ 4.29Å; F220-F234 HydrophobicContact CZ-CE1 4.28Å; F220-F234 HydrophobicContact CZ-CZ 4.32Å; A223-F234 HydrophobicContact CB-CD1 3.93Å; A223-F234 HydrophobicContact CB-CE1 4.48Å; D232-F234 PolarHBondContact O-N 3.48Å; D232-F234 VanDerWaalsContact O-N 3.07Å; F234-A236 PolarHBondContact O-N 3.36Å; F234-N237 CarbonylContact O-C 3.58Å; F234-N237 PolarHBondContact O-N 2.93Å; F234-N237 VanDerWaalsContact O-N 3.15Å; F234-T238 WeakPolarHBondContact O-CA 3.27Å; F234-T238 PolarHBondContact O-N 2.75Å; F234-T238 PolarHBondContact O-OG1 3.01Å; F234-I241 HydrophobicContact CD1-CD1 4.33Å; F234-I241 HydrophobicContact CD2-CD1 4.16Å; F234-I241 HydrophobicContact CE1-CD1 4.42Å; F234-I241 HydrophobicContact CE2-CD1 4.29Å; F234-I241 HydrophobicContact CG-CD1 4.19Å; F234-I241 HydrophobicContact CZ-CD1 4.41Å; F234-I241 HydrophobicContact CZ-CG2 4.26Å |
| 235 | A | 77.1 | Confident | 75.9 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A223 S229 D232 N237 T238 | A223-A235 HydrophobicContact CB-CB 4.28Å; S229-A235 WeakPolarHBondContact O-CB 3.26Å; D232-A235 PolarHBondContact O-N 3Å; A235-N237 PolarHBondContact O-N 2.74Å; A235-N237 VanDerWaalsContact O-N 3.17Å; A235-T238 WeakPolarHBondContact CA-OG1 3.13Å; A235-T238 PolarHBondContact O-N 3.14Å; A235-T238 PolarHBondContact O-OG1 2.86Å |
| 236 | A | 81 | Confident | 76.6 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.6 | -24.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | D232 F234 | D232-A236 PolarHBondContact O-N 3.25Å; F234-A236 PolarHBondContact O-N 3.36Å |
| 237 | N | 85.1 | Confident | 77.4 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -113.8 | 10.4 | -178.4 | -66.4 | -79.7 | 0 | 0 | 0 | 113.9 | W233 F234 A235 Y239 P240 I241 | W233-N237 HydrophobicContact CH2-CB 4.49Å; W233-N237 HydrophobicContact CZ2-CB 4.45Å; W233-N237 PolarHBondContact NE1-ND2 3.09Å; W233-N237 WeakPolarHBondContact O-CB 3.28Å; W233-N237 PolarHBondContact O-N 3.05Å; W233-N237 PolarHBondContact O-ND2 3.31Å; F234-N237 CarbonylContact O-C 3.58Å; F234-N237 PolarHBondContact O-N 2.93Å; F234-N237 VanDerWaalsContact O-N 3.15Å; A235-N237 PolarHBondContact O-N 2.74Å; A235-N237 VanDerWaalsContact O-N 3.17Å; N237-Y239 VanDerWaalsContact C-N 3.26Å; N237-Y239 PolarHBondContact O-N 3.24Å; N237-Y239 VanDerWaalsContact O-N 3.14Å; N237-P240 HydrophobicContact CB-CG 4.36Å; N237-P240 WeakPolarHBondContact O-CD 3.19Å; N237-P240 VanDerWaalsContact O-CG 3.32Å; N237-P240 WeakPolarHBondContact O-CG 3.49Å; N237-I241 HydrophobicContact CB-CD1 3.77Å; N237-I241 HydrophobicContact CB-CG1 4.07Å; N237-I241 WeakPolarHBondContact O-CB 3.19Å; N237-I241 WeakPolarHBondContact O-CD1 3.27Å; N237-I241 WeakPolarHBondContact O-CG1 3.47Å; N237-I241 PolarHBondContact O-N 3.45Å |
| 238 | T | 87.4 | Confident | 78.9 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -33.7 | -171.7 | -65.9 | 0 | 0 | 0 | 0 | 113.1 | F220 F234 A235 F242 F278 | F220-T238 HydrophobicContact CD1-CG2 3.9Å; F220-T238 HydrophobicContact CE1-CG2 3.61Å; F234-T238 WeakPolarHBondContact O-CA 3.27Å; F234-T238 PolarHBondContact O-N 2.75Å; F234-T238 PolarHBondContact O-OG1 3.01Å; A235-T238 WeakPolarHBondContact CA-OG1 3.13Å; A235-T238 PolarHBondContact O-N 3.14Å; A235-T238 PolarHBondContact O-OG1 2.86Å; T238-F242 WeakPolarHBondContact O-CB 3.18Å; T238-F242 PolarHBondContact O-N 3.41Å; T238-F278 HydrophobicContact CG2-CE2 3.92Å; T238-F278 HydrophobicContact CG2-CZ 3.91Å |
| 239 | Y | 88.7 | Confident | 80.4 | Confident | 51 Ų | 51 | 44 Ų | 44 | 20% | 0.2 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -62.2 | 175.8 | -177.8 | -95.7 | 0 | 0 | 0 | 113 | N237 I241 F242 V243 F278 Q281 L282 E285 | N237-Y239 VanDerWaalsContact C-N 3.26Å; N237-Y239 PolarHBondContact O-N 3.24Å; N237-Y239 VanDerWaalsContact O-N 3.14Å; Y239-I241 VanDerWaalsContact C-N 3.28Å; Y239-I241 PolarHBondContact O-N 2.94Å; Y239-F242 WeakPolarHBondContact O-CB 3.32Å; Y239-F242 PolarHBondContact O-N 3.36Å; Y239-F242 VanDerWaalsContact O-N 3.07Å; Y239-V243 HydrophobicContact CD1-CG2 4.18Å; Y239-V243 HydrophobicContact CE1-CG2 3.77Å; Y239-V243 HydrophobicContact CE2-CG2 4.22Å; Y239-V243 WeakPolarHBondContact O-CG2 3.32Å; Y239-V243 PolarHBondContact O-N 2.7Å; Y239-F278 HydrophobicContact CD2-CD2 4.29Å; Y239-F278 HydrophobicContact CD2-CE2 4.07Å; Y239-F278 HydrophobicContact CG-CE2 4.49Å; Y239-Q281 HydrophobicContact CD2-CB 4.15Å; Y239-Q281 HydrophobicContact CE2-CB 3.37Å; Y239-L282 HydrophobicContact CD2-CD2 4.05Å; Y239-L282 HydrophobicContact CE2-CD2 3.64Å; Y239-L282 HydrophobicContact CE2-CG 4.13Å; Y239-E285 WeakPolarHBondContact OH-CG 3.47Å; Y239-E285 PolarHBondContact OH-OE1 2.88Å |
| 240 | P | 89 | Confident | 82.1 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -30.4 | 179.8 | 27 | -36.5 | 0 | 0 | 0 | 113 | V188 N237 V243 E244 | V188-P240 HydrophobicContact CG1-CB 3.85Å; V188-P240 HydrophobicContact CG1-CG 3.89Å; V188-P240 HydrophobicContact CG2-CB 4.43Å; N237-P240 HydrophobicContact CB-CG 4.36Å; N237-P240 WeakPolarHBondContact O-CD 3.19Å; N237-P240 VanDerWaalsContact O-CG 3.32Å; N237-P240 WeakPolarHBondContact O-CG 3.49Å; P240-V243 PolarHBondContact O-N 3.48Å; P240-E244 PolarHBondContact O-N 3.12Å; P240-E244 VanDerWaalsContact O-N 3.09Å |
| 241 | I | 88.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -50.8 | 169.7 | -67.5 | 167.1 | 0 | 0 | 0 | 109.6 | L184 V188 F220 W233 F234 N237 Y239 V243 F245 | L184-I241 HydrophobicContact CD2-CG2 4.39Å; V188-I241 HydrophobicContact CG2-CB 4.41Å; V188-I241 HydrophobicContact CG2-CG1 3.76Å; F220-I241 HydrophobicContact CE2-CG2 4.09Å; F220-I241 HydrophobicContact CZ-CG2 3.94Å; W233-I241 HydrophobicContact CH2-CD1 4.07Å; W233-I241 HydrophobicContact CH2-CG1 4.49Å; W233-I241 HydrophobicContact CZ3-CD1 3.72Å; F234-I241 HydrophobicContact CD1-CD1 4.33Å; F234-I241 HydrophobicContact CD2-CD1 4.16Å; F234-I241 HydrophobicContact CE1-CD1 4.42Å; F234-I241 HydrophobicContact CE2-CD1 4.29Å; F234-I241 HydrophobicContact CG-CD1 4.19Å; F234-I241 HydrophobicContact CZ-CD1 4.41Å; F234-I241 HydrophobicContact CZ-CG2 4.26Å; N237-I241 HydrophobicContact CB-CD1 3.77Å; N237-I241 HydrophobicContact CB-CG1 4.07Å; N237-I241 WeakPolarHBondContact O-CB 3.19Å; N237-I241 WeakPolarHBondContact O-CD1 3.27Å; N237-I241 WeakPolarHBondContact O-CG1 3.47Å; N237-I241 PolarHBondContact O-N 3.45Å; Y239-I241 VanDerWaalsContact C-N 3.28Å; Y239-I241 PolarHBondContact O-N 2.94Å; I241-V243 PolarHBondContact O-N 3.37Å; I241-F245 HydrophobicContact CG2-CD2 3.96Å; I241-F245 HydrophobicContact CG2-CE2 4.42Å; I241-F245 VanDerWaalsContact O-CB 3.26Å; I241-F245 WeakPolarHBondContact O-CB 3.16Å; I241-F245 WeakPolarHBondContact O-CD2 3.34Å; I241-F245 PolarHBondContact O-N 3.08Å |
| 242 | F | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 179.4 | -173.8 | -74.9 | 0 | 0 | 0 | 112.4 | F220 T238 Y239 F245 Y246 A253 T256 L257 I260 F278 L282 V290 | F220-F242 HydrophobicContact CE1-CB 4.05Å; F220-F242 AromaticContact CE1-CD2 3.96Å; F220-F242 HydrophobicContact CE1-CD2 3.96Å; F220-F242 HydrophobicContact CZ-CB 4Å; F220-F242 HydrophobicContact CZ-CD2 4.19Å; T238-F242 WeakPolarHBondContact O-CB 3.18Å; T238-F242 PolarHBondContact O-N 3.41Å; Y239-F242 WeakPolarHBondContact O-CB 3.32Å; Y239-F242 PolarHBondContact O-N 3.36Å; Y239-F242 VanDerWaalsContact O-N 3.07Å; F242-F245 PolarHBondContact O-N 3.3Å; F242-Y246 HydrophobicContact CE1-CD2 4.23Å; F242-Y246 HydrophobicContact CZ-CD2 4.46Å; F242-Y246 WeakPolarHBondContact O-CB 3.41Å; F242-Y246 PolarHBondContact O-N 2.84Å; F242-A253 HydrophobicContact CZ-CB 4.27Å; F242-T256 VanDerWaalsContact CE2-OG1 3.29Å; F242-T256 WeakPolarHBondContact CE2-OG1 3.37Å; F242-L257 HydrophobicContact CE2-CD2 3.81Å; F242-L257 HydrophobicContact CE2-CG 4.49Å; F242-L257 HydrophobicContact CZ-CD2 3.52Å; F242-L257 HydrophobicContact CZ-CG 4.27Å; F242-I260 HydrophobicContact CE2-CD1 4.36Å; F242-F278 HydrophobicContact CB-CZ 4.27Å; F242-L282 HydrophobicContact CD1-CD1 3.78Å; F242-L282 HydrophobicContact CD1-CD2 3.42Å; F242-L282 VanDerWaalsContact CD1-CD2 3.42Å; F242-L282 HydrophobicContact CD1-CG 4.26Å; F242-L282 HydrophobicContact CD2-CD1 4.49Å; F242-L282 HydrophobicContact CE1-CD1 3.74Å; F242-L282 HydrophobicContact CE1-CD2 3.91Å; F242-L282 HydrophobicContact CE1-CG 4.44Å; F242-L282 HydrophobicContact CE2-CD1 4.42Å; F242-L282 HydrophobicContact CG-CD1 4.2Å; F242-L282 HydrophobicContact CG-CD2 4.19Å; F242-L282 HydrophobicContact CZ-CD1 4.1Å; F242-V290 HydrophobicContact CE1-CG1 4.09Å; F242-V290 HydrophobicContact CZ-CG1 4.22Å |
| 243 | V | 90.1 | Very high | 87 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -49.8 | -177.5 | 176.4 | 0 | 0 | 0 | 0 | 111 | Y239 P240 I241 Y246 R247 L282 L288 | Y239-V243 HydrophobicContact CD1-CG2 4.18Å; Y239-V243 HydrophobicContact CE1-CG2 3.77Å; Y239-V243 HydrophobicContact CE2-CG2 4.22Å; Y239-V243 WeakPolarHBondContact O-CG2 3.32Å; Y239-V243 PolarHBondContact O-N 2.7Å; P240-V243 PolarHBondContact O-N 3.48Å; I241-V243 PolarHBondContact O-N 3.37Å; V243-Y246 PolarHBondContact O-N 3.41Å; V243-R247 WeakPolarHBondContact O-CG 3.29Å; V243-R247 PolarHBondContact O-N 3.19Å; V243-L282 HydrophobicContact CG2-CD2 4.1Å; V243-L288 HydrophobicContact CG2-CD1 4.19Å |
| 244 | E | 87.7 | Confident | 87.6 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.5 | -29.7 | 178.1 | -55.1 | -48.1 | 149.5 | 0 | 0 | 112.5 | L187 P240 R247 V248 | L187-E244 HydrophobicContact CD1-CB 4.06Å; L187-E244 HydrophobicContact CD2-CB 3.74Å; L187-E244 HydrophobicContact CG-CB 3.61Å; L187-E244 HydrophobicContact CG-CG 4.43Å; P240-E244 PolarHBondContact O-N 3.12Å; P240-E244 VanDerWaalsContact O-N 3.09Å; E244-R247 VanDerWaalsContact CD-NH1 3.3Å; E244-R247 PolarHBondContact O-N 2.88Å; E244-R247 IonicContact OE1-CZ 3.91Å; E244-R247 IonicContact OE1-NH1 2.87Å; E244-R247 PolarHBondContact OE1-NH1 3.47Å; E244-R247 WeakPolarHBondContact OE2-CD 3.47Å; E244-R247 IonicContact OE2-CZ 3.06Å; E244-R247 IonicContact OE2-NE 3.96Å; E244-R247 IonicContact OE2-NH1 2.64Å; E244-R247 PolarHBondContact OE2-NH1 3.24Å; E244-R247 VanDerWaalsContact OE2-NH1 3.15Å; E244-V248 WeakPolarHBondContact O-CG2 3.36Å; E244-V248 PolarHBondContact O-N 3.49Å |
| 245 | F | 87.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 170.1 | -107.2 | -101.1 | 0 | 0 | 0 | 111.5 | L184 L187 I205 I216 I241 F242 R247 V248 N249 L252 A253 | L184-F245 HydrophobicContact CD2-CD2 4.34Å; L184-F245 HydrophobicContact CD2-CE2 3.35Å; L184-F245 HydrophobicContact CD2-CZ 3.93Å; L187-F245 HydrophobicContact CD2-CD2 3.54Å; L187-F245 HydrophobicContact CD2-CE2 3.62Å; I205-F245 HydrophobicContact CB-CZ 4.3Å; I205-F245 HydrophobicContact CD1-CE2 3.59Å; I205-F245 HydrophobicContact CD1-CZ 3.66Å; I205-F245 HydrophobicContact CG1-CE2 4.25Å; I205-F245 HydrophobicContact CG1-CZ 3.79Å; I205-F245 HydrophobicContact CG2-CD1 4.3Å; I205-F245 HydrophobicContact CG2-CE1 3.55Å; I205-F245 HydrophobicContact CG2-CE2 4.25Å; I205-F245 HydrophobicContact CG2-CZ 3.51Å; I216-F245 HydrophobicContact CD1-CD1 4.5Å; I216-F245 HydrophobicContact CD1-CE1 3.37Å; I216-F245 HydrophobicContact CD1-CE2 4.36Å; I216-F245 HydrophobicContact CD1-CZ 3.3Å; I216-F245 HydrophobicContact CG2-CE1 4.48Å; I241-F245 HydrophobicContact CG2-CD2 3.96Å; I241-F245 HydrophobicContact CG2-CE2 4.42Å; I241-F245 VanDerWaalsContact O-CB 3.26Å; I241-F245 WeakPolarHBondContact O-CB 3.16Å; I241-F245 WeakPolarHBondContact O-CD2 3.34Å; I241-F245 PolarHBondContact O-N 3.08Å; F242-F245 PolarHBondContact O-N 3.3Å; F245-R247 PolarHBondContact O-N 2.8Å; F245-V248 PolarHBondContact O-N 3.4Å; F245-V248 VanDerWaalsContact O-N 3.16Å; F245-N249 CarbonylContact O-C 3.59Å; F245-N249 WeakPolarHBondContact O-CA 3.27Å; F245-N249 PolarHBondContact O-N 3.02Å; F245-L252 HydrophobicContact CD1-CB 4.08Å; F245-L252 HydrophobicContact CD1-CD1 4.49Å; F245-L252 HydrophobicContact CE1-CB 4.22Å; F245-L252 HydrophobicContact CE1-CD1 3.85Å; F245-A253 HydrophobicContact CB-CB 4.32Å |
| 246 | Y | 91.5 | Very high | 88.7 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -31 | -179.3 | -172.9 | -78.4 | 0 | 0 | 0 | 112.2 | F242 V243 A253 I254 L288 N289 V290 D293 | F242-Y246 HydrophobicContact CE1-CD2 4.23Å; F242-Y246 HydrophobicContact CZ-CD2 4.46Å; F242-Y246 WeakPolarHBondContact O-CB 3.41Å; F242-Y246 PolarHBondContact O-N 2.84Å; V243-Y246 PolarHBondContact O-N 3.41Å; Y246-A253 HydrophobicContact CD2-CB 3.87Å; Y246-A253 HydrophobicContact CG-CB 4.21Å; Y246-I254 HydrophobicContact CE2-CG1 4.2Å; Y246-L288 HydrophobicContact CD1-CB 4.39Å; Y246-L288 HydrophobicContact CD1-CD2 3.26Å; Y246-L288 HydrophobicContact CD1-CG 4.38Å; Y246-L288 HydrophobicContact CE1-CB 4.28Å; Y246-L288 HydrophobicContact CE1-CD2 3.89Å; Y246-L288 HydrophobicContact CG-CD2 3.77Å; Y246-N289 WeakPolarHBondContact OH-CA 3.4Å; Y246-N289 WeakPolarHBondContact OH-CB 3.45Å; Y246-N289 PolarHBondContact OH-N 3.16Å; Y246-V290 HydrophobicContact CD2-CG1 4.24Å; Y246-V290 HydrophobicContact CE2-CG1 3.98Å; Y246-D293 VanDerWaalsContact CE2-OD2 3.28Å; Y246-D293 WeakPolarHBondContact CE2-OD2 3.13Å; Y246-D293 VanDerWaalsContact CZ-OD2 3.3Å; Y246-D293 PolarHBondContact OH-OD2 3.03Å |
| 247 | R | 88.7 | Confident | 89.2 | Confident | 111 Ų | 111 | 26.9 Ų | 26.9 | 42% | 0.419 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -71.1 | -36.3 | 174.7 | -75 | 167.3 | 163.3 | 161.6 | 1.6 | 114 | V243 E244 F245 E287 | V243-R247 WeakPolarHBondContact O-CG 3.29Å; V243-R247 PolarHBondContact O-N 3.19Å; E244-R247 VanDerWaalsContact CD-NH1 3.3Å; E244-R247 PolarHBondContact O-N 2.88Å; E244-R247 IonicContact OE1-CZ 3.91Å; E244-R247 IonicContact OE1-NH1 2.87Å; E244-R247 PolarHBondContact OE1-NH1 3.47Å; E244-R247 WeakPolarHBondContact OE2-CD 3.47Å; E244-R247 IonicContact OE2-CZ 3.06Å; E244-R247 IonicContact OE2-NE 3.96Å; E244-R247 IonicContact OE2-NH1 2.64Å; E244-R247 PolarHBondContact OE2-NH1 3.24Å; E244-R247 VanDerWaalsContact OE2-NH1 3.15Å; F245-R247 PolarHBondContact O-N 2.8Å; R247-E287 IonicContact CZ-OE2 2.77Å; R247-E287 IonicContact NE-OE2 3.87Å; R247-E287 PolarHBondContact NE-OE2 2.98Å; R247-E287 IonicContact NH2-OE1 3.15Å; R247-E287 IonicContact NH2-OE2 3.92Å; R247-E287 PolarHBondContact NH2-OE2 3.48Å |
| 248 | V | 88.9 | Confident | 89.4 | Confident | 27 Ų | 27 | 28.2 Ų | 28.2 | 16% | 0.164 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -92.6 | -48.6 | -176.6 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | L187 A202 I205 Q206 E244 F245 | L187-V248 HydrophobicContact CD1-CG2 3.9Å; A202-V248 HydrophobicContact CB-CB 4.46Å; A202-V248 HydrophobicContact CB-CG1 3.82Å; A202-V248 HydrophobicContact CB-CG2 3.72Å; A202-V248 VanDerWaalsContact O-CG1 3.28Å; A202-V248 WeakPolarHBondContact O-CG1 3.04Å; I205-V248 HydrophobicContact CB-CG1 4.21Å; I205-V248 HydrophobicContact CG2-CG1 4Å; Q206-V248 HydrophobicContact CB-CG1 4.41Å; E244-V248 WeakPolarHBondContact O-CG2 3.36Å; E244-V248 PolarHBondContact O-N 3.49Å; F245-V248 PolarHBondContact O-N 3.4Å; F245-V248 VanDerWaalsContact O-N 3.16Å |
| 249 | N | 89.2 | Confident | 89.5 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | trans | -138.5 | 91.6 | -178.1 | -173 | -45.2 | 0 | 0 | 0 | 109.4 | I205 E209 F245 S251 L252 A253 | I205-N249 HydrophobicContact CG2-CB 3.92Å; I205-N249 PolarHBondContact O-ND2 3.08Å; E209-N249 VanDerWaalsContact CD-ND2 3.32Å; E209-N249 PolarHBondContact OE2-ND2 3.05Å; E209-N249 PolarHBondContact OE2-OD1 3.37Å; F245-N249 CarbonylContact O-C 3.59Å; F245-N249 WeakPolarHBondContact O-CA 3.27Å; F245-N249 PolarHBondContact O-N 3.02Å; N249-S251 VanDerWaalsContact C-N 3.35Å; N249-S251 PolarHBondContact O-N 3.3Å; N249-S251 PolarHBondContact OD1-N 3.45Å; N249-S251 PolarHBondContact OD1-OG 3.34Å; N249-L252 HydrophobicContact CB-CB 4.47Å; N249-L252 HydrophobicContact CB-CD1 4.34Å; N249-L252 WeakPolarHBondContact OD1-CB 3.31Å; N249-L252 WeakPolarHBondContact OD1-CG 3.5Å; N249-L252 PolarHBondContact OD1-N 2.82Å; N249-A253 PolarHBondContact O-N 3.21Å | ||
| 250 | S | 89.7 | Confident | 89.6 | Confident | 58 Ų | 58 | 27.4 Ų | 27.4 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70.2 | -27 | -178.3 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | A253 I254 | S250-A253 PolarHBondContact O-N 3.4Å; S250-I254 VanDerWaalsContact O-CB 3.26Å; S250-I254 WeakPolarHBondContact O-CB 3.38Å; S250-I254 WeakPolarHBondContact O-CD1 3.25Å; S250-I254 WeakPolarHBondContact O-CG1 3.18Å; S250-I254 PolarHBondContact O-N 3Å |
| 251 | S | 89.3 | Confident | 89.8 | Confident | 59 Ų | 59 | 26 Ų | 26 | 41% | 0.413 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 176.6 | 33.5 | 0 | 0 | 0 | 0 | 111.9 | E209 N249 I254 A255 | E209-S251 WeakPolarHBondContact OE1-CB 3.39Å; E209-S251 PolarHBondContact OE1-OG 2.96Å; E209-S251 PolarHBondContact OE2-OG 3.3Å; N249-S251 VanDerWaalsContact C-N 3.35Å; N249-S251 PolarHBondContact O-N 3.3Å; N249-S251 PolarHBondContact OD1-N 3.45Å; N249-S251 PolarHBondContact OD1-OG 3.34Å; S251-I254 PolarHBondContact O-N 2.67Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 3.07Å |
| 252 | L | 86.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 172.3 | -75 | 177.7 | 0 | 0 | 0 | 112.1 | I205 E209 L212 Q213 F245 N249 A255 T256 | I205-L252 HydrophobicContact CG2-CD1 4.46Å; E209-L252 HydrophobicContact CB-CD1 4.25Å; E209-L252 HydrophobicContact CB-CG 4.49Å; E209-L252 HydrophobicContact CG-CD1 4.05Å; E209-L252 HydrophobicContact CG-CD2 3.86Å; E209-L252 HydrophobicContact CG-CG 3.75Å; L212-L252 HydrophobicContact CB-CD1 4.47Å; Q213-L252 HydrophobicContact CB-CD2 3.78Å; Q213-L252 HydrophobicContact CG-CD2 3.97Å; F245-L252 HydrophobicContact CD1-CB 4.08Å; F245-L252 HydrophobicContact CD1-CD1 4.49Å; F245-L252 HydrophobicContact CE1-CB 4.22Å; F245-L252 HydrophobicContact CE1-CD1 3.85Å; N249-L252 HydrophobicContact CB-CB 4.47Å; N249-L252 HydrophobicContact CB-CD1 4.34Å; N249-L252 WeakPolarHBondContact OD1-CB 3.31Å; N249-L252 WeakPolarHBondContact OD1-CG 3.5Å; N249-L252 PolarHBondContact OD1-N 2.82Å; L252-A255 PolarHBondContact O-N 3.12Å; L252-T256 PolarHBondContact O-N 3.35Å |
| 253 | A | 89.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F242 F245 Y246 N249 S250 A255 T256 | F242-A253 HydrophobicContact CZ-CB 4.27Å; F245-A253 HydrophobicContact CB-CB 4.32Å; Y246-A253 HydrophobicContact CD2-CB 3.87Å; Y246-A253 HydrophobicContact CG-CB 4.21Å; N249-A253 PolarHBondContact O-N 3.21Å; S250-A253 PolarHBondContact O-N 3.4Å; A253-A255 VanDerWaalsContact C-N 3.28Å; A253-A255 PolarHBondContact O-N 2.96Å; A253-T256 PolarHBondContact O-N 3.02Å; A253-T256 VanDerWaalsContact O-N 3.1Å; A253-T256 PolarHBondContact O-OG1 3.46Å |
| 254 | I | 92.1 | Very high | 89.8 | Confident | 53 Ų | 53 | 31.5 Ų | 31.5 | 27% | 0.272 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 176.7 | -70.7 | 164.1 | 0 | 0 | 0 | 110.9 | Y246 S250 S251 T256 L257 P258 D293 | Y246-I254 HydrophobicContact CE2-CG1 4.2Å; S250-I254 VanDerWaalsContact O-CB 3.26Å; S250-I254 WeakPolarHBondContact O-CB 3.38Å; S250-I254 WeakPolarHBondContact O-CD1 3.25Å; S250-I254 WeakPolarHBondContact O-CG1 3.18Å; S250-I254 PolarHBondContact O-N 3Å; S251-I254 PolarHBondContact O-N 2.67Å; I254-T256 PolarHBondContact O-N 2.91Å; I254-L257 HydrophobicContact CB-CD1 4.44Å; I254-L257 HydrophobicContact CG1-CD1 4.31Å; I254-L257 HydrophobicContact CG2-CD1 4.48Å; I254-L257 WeakPolarHBondContact O-CB 3.34Å; I254-L257 PolarHBondContact O-N 3.45Å; I254-L257 VanDerWaalsContact O-N 3.11Å; I254-P258 WeakPolarHBondContact O-CD 3.46Å; I254-D293 HydrophobicContact CD1-CB 3.84Å; I254-D293 HydrophobicContact CG1-CB 3.93Å |
| 255 | A | 91.1 | Very high | 90 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.9 | -20.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L217 S251 L252 A253 P258 | L217-A255 HydrophobicContact CD2-CB 3.92Å; L217-A255 VanDerWaalsContact CD2-O 3.27Å; L217-A255 WeakPolarHBondContact CD2-O 3.07Å; S251-A255 WeakPolarHBondContact O-CB 3.43Å; S251-A255 PolarHBondContact O-N 3.07Å; L252-A255 PolarHBondContact O-N 3.12Å; A253-A255 VanDerWaalsContact C-N 3.28Å; A253-A255 PolarHBondContact O-N 2.96Å; A255-P258 WeakPolarHBondContact O-CD 3.41Å |
| 256 | T | 89.9 | Confident | 90.1 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -85.5 | -20.5 | 173.4 | 69.6 | 0 | 0 | 0 | 0 | 113.9 | I216 L217 F220 F242 L252 A253 I254 P258 F259 | I216-T256 HydrophobicContact CG2-CG2 4.5Å; L217-T256 HydrophobicContact CD2-CG2 3.88Å; F220-T256 HydrophobicContact CB-CG2 3.97Å; F220-T256 HydrophobicContact CD1-CG2 4.44Å; F220-T256 HydrophobicContact CD2-CG2 3.6Å; F220-T256 HydrophobicContact CE2-CG2 4.17Å; F220-T256 HydrophobicContact CG-CG2 3.75Å; F242-T256 VanDerWaalsContact CE2-OG1 3.29Å; F242-T256 WeakPolarHBondContact CE2-OG1 3.37Å; L252-T256 PolarHBondContact O-N 3.35Å; A253-T256 PolarHBondContact O-N 3.02Å; A253-T256 VanDerWaalsContact O-N 3.1Å; A253-T256 PolarHBondContact O-OG1 3.46Å; I254-T256 PolarHBondContact O-N 2.91Å; T256-P258 VanDerWaalsContact C-N 3.33Å; T256-F259 WeakPolarHBondContact O-CB 3.47Å; T256-F259 WeakPolarHBondContact O-CD2 3.26Å; T256-F259 PolarHBondContact O-N 3.27Å |
| 257 | L | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -32.9 | -179.3 | -64.7 | 177.6 | 0 | 0 | 0 | 114.8 | F242 I254 F259 I260 C261 V290 N294 L297 | F242-L257 HydrophobicContact CE2-CD2 3.81Å; F242-L257 HydrophobicContact CE2-CG 4.49Å; F242-L257 HydrophobicContact CZ-CD2 3.52Å; F242-L257 HydrophobicContact CZ-CG 4.27Å; I254-L257 HydrophobicContact CB-CD1 4.44Å; I254-L257 HydrophobicContact CG1-CD1 4.31Å; I254-L257 HydrophobicContact CG2-CD1 4.48Å; I254-L257 WeakPolarHBondContact O-CB 3.34Å; I254-L257 PolarHBondContact O-N 3.45Å; I254-L257 VanDerWaalsContact O-N 3.11Å; L257-F259 VanDerWaalsContact C-N 3.28Å; L257-F259 PolarHBondContact O-N 3.31Å; L257-I260 HydrophobicContact CD2-CD1 3.83Å; L257-I260 WeakPolarHBondContact O-CB 3.41Å; L257-I260 PolarHBondContact O-N 3.14Å; L257-C261 PolarHBondContact O-N 3.4Å; L257-V290 HydrophobicContact CD1-CG1 4.47Å; L257-V290 HydrophobicContact CD2-CG1 4.3Å; L257-N294 HydrophobicContact CB-CB 4.16Å; L257-N294 WeakPolarHBondContact CB-ND2 3.34Å; L257-N294 HydrophobicContact CD1-CB 3.69Å; L257-L297 HydrophobicContact CB-CD2 4.08Å; L257-L297 HydrophobicContact CD2-CD2 3.85Å; L257-L297 HydrophobicContact CG-CD2 4.46Å |
| 258 | P | 89.7 | Confident | 90.2 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.1 | -35.1 | 171.5 | -28.5 | 37.4 | 0 | 0 | 0 | 114.5 | I254 A255 T256 C261 Q262 | I254-P258 WeakPolarHBondContact O-CD 3.46Å; A255-P258 WeakPolarHBondContact O-CD 3.41Å; T256-P258 VanDerWaalsContact C-N 3.33Å; P258-C261 WeakPolarHBondContact O-CB 3.25Å; P258-C261 PolarHBondContact O-N 3.1Å; P258-Q262 PolarHBondContact O-N 2.8Å |
| 259 | F | 88.8 | Confident | 90.4 | Very high | 43 Ų | 43 | 42.5 Ų | 42.5 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 177.4 | -58.4 | -54.5 | 0 | 0 | 0 | 111.6 | L217 L224 F225 T256 L257 C261 Q262 N263 | L217-F259 HydrophobicContact CB-CE2 3.85Å; L217-F259 HydrophobicContact CB-CZ 4.1Å; L217-F259 HydrophobicContact CD2-CE2 3.68Å; L217-F259 HydrophobicContact CD2-CZ 4.38Å; L217-F259 HydrophobicContact CG-CE2 4.35Å; L217-F259 VanDerWaalsContact O-CE2 3.29Å; L217-F259 WeakPolarHBondContact O-CE2 3.42Å; L224-F259 HydrophobicContact CD1-CB 3.95Å; F225-F259 HydrophobicContact CE2-CB 4.15Å; F225-F259 HydrophobicContact CE2-CD1 4.48Å; T256-F259 WeakPolarHBondContact O-CB 3.47Å; T256-F259 WeakPolarHBondContact O-CD2 3.26Å; T256-F259 PolarHBondContact O-N 3.27Å; L257-F259 VanDerWaalsContact C-N 3.28Å; L257-F259 PolarHBondContact O-N 3.31Å; F259-C261 VanDerWaalsContact C-N 3.28Å; F259-C261 PolarHBondContact O-N 3.06Å; F259-Q262 PolarHBondContact O-N 3.07Å; F259-N263 PolarHBondContact O-N 3.39Å |
| 260 | I | 92 | Very high | 90.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 171.8 | -50.6 | 179.7 | 0 | 0 | 0 | 109.7 | L224 F242 L257 Q262 N263 M264 T275 F278 L282 L297 | L224-I260 HydrophobicContact CD1-CG1 3.89Å; F242-I260 HydrophobicContact CE2-CD1 4.36Å; L257-I260 HydrophobicContact CD2-CD1 3.83Å; L257-I260 WeakPolarHBondContact O-CB 3.41Å; L257-I260 PolarHBondContact O-N 3.14Å; I260-Q262 VanDerWaalsContact C-N 3.3Å; I260-Q262 PolarHBondContact O-N 3.13Å; I260-N263 PolarHBondContact O-N 3.21Å; I260-M264 HydrophobicContact CG2-CE 4.49Å; I260-M264 VanDerWaalsContact O-CB 3.25Å; I260-M264 WeakPolarHBondContact O-CB 3.34Å; I260-M264 PolarHBondContact O-N 3.21Å; I260-T275 HydrophobicContact CG2-CG2 3.59Å; I260-T275 WeakPolarHBondContact O-CG2 3.34Å; I260-F278 HydrophobicContact CD1-CD1 4.14Å; I260-F278 HydrophobicContact CD1-CE1 3.8Å; I260-L282 HydrophobicContact CD1-CD1 4.26Å; I260-L297 HydrophobicContact CB-CD1 4.25Å; I260-L297 HydrophobicContact CB-CD2 4.15Å; I260-L297 HydrophobicContact CG2-CD1 3.85Å; I260-L297 HydrophobicContact CG2-CD2 4.15Å |
| 261 | C | 91.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -32.4 | 179 | -169.2 | 0 | 0 | 0 | 0 | 113 | L257 P258 F259 K265 L297 S300 | L257-C261 PolarHBondContact O-N 3.4Å; P258-C261 WeakPolarHBondContact O-CB 3.25Å; P258-C261 PolarHBondContact O-N 3.1Å; F259-C261 VanDerWaalsContact C-N 3.28Å; F259-C261 PolarHBondContact O-N 3.06Å; C261-K265 VanDerWaalsContact O-CD 3.25Å; C261-K265 WeakPolarHBondContact O-CD 3.32Å; C261-K265 WeakPolarHBondContact O-CE 3.49Å; C261-K265 WeakPolarHBondContact O-CG 3.35Å; C261-K265 PolarHBondContact SG-NZ 2.87Å; C261-L297 HydrophobicContact CB-CB 4.18Å; C261-L297 HydrophobicContact CB-CD1 3.98Å; C261-S300 PolarHBondContact SG-OG 3.41Å |
| 262 | Q | 89.8 | Confident | 90.6 | Very high | 117 Ų | 117 | 44.3 Ų | 44.3 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77.7 | -43.1 | 174.4 | 179.4 | -178 | -5.8 | 0 | 0 | 111.8 | F225 P258 F259 I260 M264 K265 S266 | F225-Q262 HydrophobicContact CE1-CG 4.24Å; F225-Q262 HydrophobicContact CZ-CB 3.87Å; F225-Q262 HydrophobicContact CZ-CG 3.68Å; P258-Q262 PolarHBondContact O-N 2.8Å; F259-Q262 PolarHBondContact O-N 3.07Å; I260-Q262 VanDerWaalsContact C-N 3.3Å; I260-Q262 PolarHBondContact O-N 3.13Å; Q262-M264 VanDerWaalsContact C-N 3.32Å; Q262-M264 PolarHBondContact O-N 3.3Å; Q262-K265 CarbonylContact O-C 3.56Å; Q262-K265 WeakPolarHBondContact O-CA 3.48Å; Q262-K265 WeakPolarHBondContact O-CB 3.34Å; Q262-K265 PolarHBondContact O-N 2.91Å; Q262-S266 PolarHBondContact O-N 3.39Å |
| 263 | N | 88.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.5 | -31.6 | 179.6 | -155.4 | 17.5 | 0 | 0 | 0 | 112.4 | L224 F225 F259 I260 K265 S266 T275 | L224-N263 PolarHBondContact O-ND2 3.49Å; F225-N263 HydrophobicContact CD1-CB 4.11Å; F225-N263 WeakPolarHBondContact CD1-OD1 3.49Å; F225-N263 HydrophobicContact CE1-CB 3.45Å; F225-N263 VanDerWaalsContact CE1-CB 3.45Å; F225-N263 WeakPolarHBondContact CE1-OD1 3.37Å; F225-N263 HydrophobicContact CE2-CB 4.43Å; F225-N263 HydrophobicContact CZ-CB 3.62Å; F259-N263 PolarHBondContact O-N 3.39Å; I260-N263 PolarHBondContact O-N 3.21Å; N263-K265 PolarHBondContact O-N 2.94Å; N263-K265 VanDerWaalsContact O-N 3.07Å; N263-S266 WeakPolarHBondContact O-CB 3.29Å; N263-S266 PolarHBondContact O-N 2.77Å; N263-T275 HydrophobicContact CB-CG2 4.18Å; N263-T275 PolarHBondContact ND2-OG1 3.39Å |
| 264 | M | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.1 | 170.1 | -167 | 173.2 | -65.9 | 0 | 0 | 112.9 | I260 Q262 R272 T275 V276 Y279 L297 F301 R304 | I260-M264 HydrophobicContact CG2-CE 4.49Å; I260-M264 VanDerWaalsContact O-CB 3.25Å; I260-M264 WeakPolarHBondContact O-CB 3.34Å; I260-M264 PolarHBondContact O-N 3.21Å; Q262-M264 VanDerWaalsContact C-N 3.32Å; Q262-M264 PolarHBondContact O-N 3.3Å; M264-R272 VanDerWaalsContact O-CD 3.31Å; M264-R272 WeakPolarHBondContact O-CD 3.44Å; M264-T275 HydrophobicContact CB-CG2 3.92Å; M264-T275 HydrophobicContact CE-CG2 4.2Å; M264-V276 HydrophobicContact CE-CG2 4.23Å; M264-V276 HydrophobicContact CG-CG2 4.13Å; M264-V276 HydrophobicContact SD-CG2 4.4Å; M264-Y279 HydrophobicContact CE-CD1 3.95Å; M264-Y279 HydrophobicContact CE-CG 4.15Å; M264-L297 HydrophobicContact CE-CD1 3.77Å; M264-L297 HydrophobicContact SD-CD1 4.21Å; M264-F301 HydrophobicContact CE-CB 4.25Å; M264-F301 VanDerWaalsContact SD-CA 3.5Å; M264-F301 HydrophobicContact SD-CB 3.88Å; M264-F301 PolarHBondContact SD-N 3.48Å; M264-F301 VanDerWaalsContact SD-N 3.4Å; M264-R304 HydrophobicContact CG-CG 3.61Å; M264-R304 WeakPolarHBondContact O-CD 3.21Å; M264-R304 PolarHBondContact O-NH1 3.2Å; M264-R304 HydrophobicContact SD-CG 3.85Å |
| 265 | K | 90.5 | Very high | 90.9 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 6 | 174.5 | -63.1 | 163.8 | -172.7 | 154.9 | 0 | 113 | C261 Q262 N263 S300 | C261-K265 VanDerWaalsContact O-CD 3.25Å; C261-K265 WeakPolarHBondContact O-CD 3.32Å; C261-K265 WeakPolarHBondContact O-CE 3.49Å; C261-K265 WeakPolarHBondContact O-CG 3.35Å; C261-K265 PolarHBondContact SG-NZ 2.87Å; Q262-K265 CarbonylContact O-C 3.56Å; Q262-K265 WeakPolarHBondContact O-CA 3.48Å; Q262-K265 WeakPolarHBondContact O-CB 3.34Å; Q262-K265 PolarHBondContact O-N 2.91Å; N263-K265 PolarHBondContact O-N 2.94Å; N263-K265 VanDerWaalsContact O-N 3.07Å; K265-S300 WeakPolarHBondContact CE-OG 3.49Å; K265-S300 PolarHBondContact NZ-OG 3.31Å |
| 266 | S | 91 | Very high | 91.1 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | trans | -58.2 | 147 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 113 | Q262 N263 N268 R272 | Q262-S266 PolarHBondContact O-N 3.39Å; N263-S266 WeakPolarHBondContact O-CB 3.29Å; N263-S266 PolarHBondContact O-N 2.77Å; S266-N268 PolarHBondContact O-N 2.78Å; S266-N268 PolarHBondContact OG-N 2.93Å; S266-R272 WeakPolarHBondContact O-CD 3.46Å; S266-R272 WeakPolarHBondContact O-CG 3.45Å; S266-R272 PolarHBondContact O-NH1 2.73Å | ||
| 267 | T | 91.4 | Very high | 91.3 | Very high | 142 Ų | 142 | 53 Ų | 53 | 87% | 0.871 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -69.9 | -21.5 | 173.1 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | R272 | T267-R272 PolarHBondContact O-NH1 2.91Š|
| 268 | N | 90.7 | Very high | 91.3 | Very high | 83 Ų | 83 | 54 Ų | 54 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | trans | -81.8 | 122.1 | 177.2 | -177.4 | -5.2 | 0 | 0 | 0 | 111.1 | S266 D270 A271 R272 | S266-N268 PolarHBondContact O-N 2.78Å; S266-N268 PolarHBondContact OG-N 2.93Å; N268-D270 PolarHBondContact O-N 3.3Å; N268-D270 PolarHBondContact OD1-N 3.25Å; N268-A271 HydrophobicContact CB-CB 3.98Å; N268-A271 PolarHBondContact O-N 3.01Å; N268-R272 WeakPolarHBondContact O-CG 3.49Å; N268-R272 PolarHBondContact O-N 2.83Å; N268-R272 PolarHBondContact O-NH1 3.2Å | ||
| 269 | D | 92.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 178.5 | -86.7 | 34.4 | 0 | 0 | 0 | 113.1 | R272 F273 S309 | D269-R272 VanDerWaalsContact CG-NH2 3.33Å; D269-R272 PolarHBondContact O-N 3.11Å; D269-R272 IonicContact OD1-CZ 2.72Å; D269-R272 VanDerWaalsContact OD1-CZ 3.28Å; D269-R272 IonicContact OD1-NH1 3.17Å; D269-R272 PolarHBondContact OD1-NH1 3.28Å; D269-R272 IonicContact OD1-NH2 3.06Å; D269-R272 PolarHBondContact OD1-NH2 3.37Å; D269-R272 IonicContact OD2-NH2 2.72Å; D269-F273 WeakPolarHBondContact O-CB 3.47Å; D269-F273 PolarHBondContact O-N 3.23Å; D269-S309 WeakPolarHBondContact OD2-CB 3.34Å; D269-S309 PolarHBondContact OD2-OG 3.1Å |
| 270 | D | 90.2 | Very high | 91.9 | Very high | 124 Ų | 124 | 49.1 Ų | 49.1 | 66% | 0.663 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -68.4 | -40 | -178.7 | -65.1 | -43.1 | 0 | 0 | 0 | 111.1 | N268 F273 E274 | N268-D270 PolarHBondContact O-N 3.3Å; N268-D270 PolarHBondContact OD1-N 3.25Å; D270-F273 PolarHBondContact O-N 3.38Å; D270-E274 PolarHBondContact O-N 2.92Å |
| 271 | A | 88.6 | Confident | 92 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N268 T275 | N268-A271 HydrophobicContact CB-CB 3.98Å; N268-A271 PolarHBondContact O-N 3.01Å; A271-T275 VanDerWaalsContact O-CB 3.28Å; A271-T275 WeakPolarHBondContact O-CB 3.48Å; A271-T275 PolarHBondContact O-N 2.92Å; A271-T275 PolarHBondContact O-OG1 3.26Å |
| 272 | R | 93.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 6% | 0.057 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 172.5 | -68.7 | -157.9 | -53.7 | -62 | -3.2 | 111.8 | M264 S266 T267 N268 D269 V276 D307 I312 | M264-R272 VanDerWaalsContact O-CD 3.31Å; M264-R272 WeakPolarHBondContact O-CD 3.44Å; S266-R272 WeakPolarHBondContact O-CD 3.46Å; S266-R272 WeakPolarHBondContact O-CG 3.45Å; S266-R272 PolarHBondContact O-NH1 2.73Å; T267-R272 PolarHBondContact O-NH1 2.91Å; N268-R272 WeakPolarHBondContact O-CG 3.49Å; N268-R272 PolarHBondContact O-N 2.83Å; N268-R272 PolarHBondContact O-NH1 3.2Å; D269-R272 VanDerWaalsContact CG-NH2 3.33Å; D269-R272 PolarHBondContact O-N 3.11Å; D269-R272 IonicContact OD1-CZ 2.72Å; D269-R272 VanDerWaalsContact OD1-CZ 3.28Å; D269-R272 IonicContact OD1-NH1 3.17Å; D269-R272 PolarHBondContact OD1-NH1 3.28Å; D269-R272 IonicContact OD1-NH2 3.06Å; D269-R272 PolarHBondContact OD1-NH2 3.37Å; D269-R272 IonicContact OD2-NH2 2.72Å; R272-V276 WeakPolarHBondContact O-CB 3.16Å; R272-V276 VanDerWaalsContact O-CG2 3.26Å; R272-V276 WeakPolarHBondContact O-CG2 3.37Å; R272-V276 PolarHBondContact O-N 3.42Å; R272-D307 IonicContact CZ-OD1 3Å; R272-D307 IonicContact CZ-OD2 2.64Å; R272-D307 IonicContact NE-OD1 2.68Å; R272-D307 IonicContact NE-OD2 3.9Å; R272-D307 PolarHBondContact NE-OD2 3.13Å; R272-D307 IonicContact NH2-OD1 3.33Å; R272-D307 PolarHBondContact NH2-OD1 2.68Å; R272-D307 IonicContact NH2-OD2 2.59Å; R272-I312 HydrophobicContact CB-CD1 3.61Å |
| 273 | F | 94.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 47.1 Ų | 47.1 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -51.4 | -179.9 | 179.5 | -91.1 | 0 | 0 | 0 | 112 | D269 D270 T275 V276 R277 P311 I312 C315 | D269-F273 WeakPolarHBondContact O-CB 3.47Å; D269-F273 PolarHBondContact O-N 3.23Å; D270-F273 PolarHBondContact O-N 3.38Å; F273-T275 VanDerWaalsContact C-N 3.35Å; F273-T275 PolarHBondContact O-N 2.83Å; F273-V276 PolarHBondContact O-N 2.89Å; F273-R277 PolarHBondContact O-N 3.21Å; F273-P311 HydrophobicContact CD2-CB 3.99Å; F273-P311 HydrophobicContact CE2-CB 3.94Å; F273-I312 HydrophobicContact CB-CD1 4.39Å; F273-I312 HydrophobicContact CB-CG1 3.88Å; F273-I312 HydrophobicContact CD2-CG1 4Å; F273-I312 HydrophobicContact CG-CG1 4.46Å; F273-C315 HydrophobicContact CE2-CB 4.17Å |
| 274 | E | 89.8 | Confident | 92.5 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.2 | -32.1 | -178.3 | -160.3 | 65 | -173 | 0 | 0 | 111.5 | D270 R277 F278 | D270-E274 PolarHBondContact O-N 2.92Å; E274-R277 VanDerWaalsContact CD-NH1 3.29Å; E274-R277 WeakPolarHBondContact O-CB 3.26Å; E274-R277 PolarHBondContact O-N 2.91Å; E274-R277 WeakPolarHBondContact OE1-CD 3.5Å; E274-R277 IonicContact OE1-CZ 2.72Å; E274-R277 IonicContact OE1-NE 3.76Å; E274-R277 IonicContact OE1-NH1 4Å; E274-R277 PolarHBondContact OE1-NH1 3.28Å; E274-R277 WeakPolarHBondContact OE2-CD 3.46Å; E274-R277 IonicContact OE2-CZ 3.22Å; E274-R277 IonicContact OE2-NE 2.85Å; E274-R277 IonicContact OE2-NH1 2.7Å; E274-R277 PolarHBondContact OE2-NH1 3.46Å; E274-F278 VanDerWaalsContact O-CB 3.32Å; E274-F278 WeakPolarHBondContact O-CB 3.35Å; E274-F278 PolarHBondContact O-N 2.99Å |
| 275 | T | 92.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 169.5 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | I260 N263 M264 A271 F273 R277 F278 Y279 | I260-T275 HydrophobicContact CG2-CG2 3.59Å; I260-T275 WeakPolarHBondContact O-CG2 3.34Å; N263-T275 HydrophobicContact CB-CG2 4.18Å; N263-T275 PolarHBondContact ND2-OG1 3.39Å; M264-T275 HydrophobicContact CB-CG2 3.92Å; M264-T275 HydrophobicContact CE-CG2 4.2Å; A271-T275 VanDerWaalsContact O-CB 3.28Å; A271-T275 WeakPolarHBondContact O-CB 3.48Å; A271-T275 PolarHBondContact O-N 2.92Å; A271-T275 PolarHBondContact O-OG1 3.26Å; F273-T275 VanDerWaalsContact C-N 3.35Å; F273-T275 PolarHBondContact O-N 2.83Å; T275-R277 VanDerWaalsContact C-N 3.33Å; T275-F278 PolarHBondContact O-N 2.74Å; T275-Y279 WeakPolarHBondContact O-CB 3.28Å; T275-Y279 PolarHBondContact O-N 2.78Å |
| 276 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.5 | 162.3 | 0 | 0 | 0 | 0 | 111 | M264 R272 F273 S280 F301 R304 I312 C315 | M264-V276 HydrophobicContact CE-CG2 4.23Å; M264-V276 HydrophobicContact CG-CG2 4.13Å; M264-V276 HydrophobicContact SD-CG2 4.4Å; R272-V276 WeakPolarHBondContact O-CB 3.16Å; R272-V276 VanDerWaalsContact O-CG2 3.26Å; R272-V276 WeakPolarHBondContact O-CG2 3.37Å; R272-V276 PolarHBondContact O-N 3.42Å; F273-V276 PolarHBondContact O-N 2.89Å; V276-S280 WeakPolarHBondContact O-CB 3.01Å; V276-S280 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-OG 3.33Å; V276-F301 HydrophobicContact CG1-CD2 4.47Å; V276-F301 HydrophobicContact CG1-CE2 4.18Å; V276-R304 HydrophobicContact CG2-CB 3.97Å; V276-R304 HydrophobicContact CG2-CG 3.62Å; V276-I312 HydrophobicContact CG1-CG2 4.45Å; V276-I312 HydrophobicContact CG2-CG2 4.09Å; V276-C315 HydrophobicContact CG1-CB 4.3Å |
| 277 | R | 93.2 | Very high | 91.8 | Very high | 117 Ų | 117 | 54 Ų | 54 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 175.6 | -174.4 | -167.5 | -180 | -173.8 | -3.1 | 111.8 | F273 E274 T275 S280 Q281 | F273-R277 PolarHBondContact O-N 3.21Å; E274-R277 VanDerWaalsContact CD-NH1 3.29Å; E274-R277 WeakPolarHBondContact O-CB 3.26Å; E274-R277 PolarHBondContact O-N 2.91Å; E274-R277 WeakPolarHBondContact OE1-CD 3.5Å; E274-R277 IonicContact OE1-CZ 2.72Å; E274-R277 IonicContact OE1-NE 3.76Å; E274-R277 IonicContact OE1-NH1 4Å; E274-R277 PolarHBondContact OE1-NH1 3.28Å; E274-R277 WeakPolarHBondContact OE2-CD 3.46Å; E274-R277 IonicContact OE2-CZ 3.22Å; E274-R277 IonicContact OE2-NE 2.85Å; E274-R277 IonicContact OE2-NH1 2.7Å; E274-R277 PolarHBondContact OE2-NH1 3.46Å; T275-R277 VanDerWaalsContact C-N 3.33Å; R277-S280 WeakPolarHBondContact O-CB 3.01Å; R277-S280 PolarHBondContact O-N 3.45Å; R277-Q281 WeakPolarHBondContact O-CG 3.15Å; R277-Q281 PolarHBondContact O-N 3.31Å |
| 278 | F | 92.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -51.9 | 177.5 | -176.7 | -94.4 | 0 | 0 | 0 | 111.5 | T238 Y239 F242 I260 E274 T275 S280 Q281 L282 | T238-F278 HydrophobicContact CG2-CE2 3.92Å; T238-F278 HydrophobicContact CG2-CZ 3.91Å; Y239-F278 HydrophobicContact CD2-CD2 4.29Å; Y239-F278 HydrophobicContact CD2-CE2 4.07Å; Y239-F278 HydrophobicContact CG-CE2 4.49Å; F242-F278 HydrophobicContact CB-CZ 4.27Å; I260-F278 HydrophobicContact CD1-CD1 4.14Å; I260-F278 HydrophobicContact CD1-CE1 3.8Å; E274-F278 VanDerWaalsContact O-CB 3.32Å; E274-F278 WeakPolarHBondContact O-CB 3.35Å; E274-F278 PolarHBondContact O-N 2.99Å; T275-F278 PolarHBondContact O-N 2.74Å; F278-S280 VanDerWaalsContact C-N 3.3Å; F278-S280 PolarHBondContact O-N 3.07Å; F278-Q281 WeakPolarHBondContact O-CB 3.4Å; F278-Q281 PolarHBondContact O-N 3.5Å; F278-Q281 VanDerWaalsContact O-N 3.09Å; F278-L282 HydrophobicContact CD1-CD1 3.98Å; F278-L282 HydrophobicContact CE1-CD1 3.57Å; F278-L282 HydrophobicContact CE1-CG 4.3Å; F278-L282 HydrophobicContact CZ-CD1 4.32Å; F278-L282 PolarHBondContact O-N 3.48Å; F278-L282 VanDerWaalsContact O-N 3.12Å |
| 279 | Y | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -33 | 176.3 | -171.4 | -118 | 0 | 0 | 0 | 112.5 | M264 T275 Q281 L282 L283 V290 L297 W298 F301 | M264-Y279 HydrophobicContact CE-CD1 3.95Å; M264-Y279 HydrophobicContact CE-CG 4.15Å; T275-Y279 WeakPolarHBondContact O-CB 3.28Å; T275-Y279 PolarHBondContact O-N 2.78Å; Y279-Q281 VanDerWaalsContact C-N 3.26Å; Y279-Q281 PolarHBondContact O-N 3.03Å; Y279-L282 PolarHBondContact O-N 3.12Å; Y279-L283 HydrophobicContact CD1-CD1 3.68Å; Y279-L283 HydrophobicContact CD1-CG 4.16Å; Y279-L283 HydrophobicContact CE1-CD1 3.56Å; Y279-L283 HydrophobicContact CE1-CD2 4.09Å; Y279-L283 HydrophobicContact CE1-CG 3.9Å; Y279-L283 HydrophobicContact CE2-CG 4.39Å; Y279-L283 HydrophobicContact CG-CD1 4.43Å; Y279-L283 WeakPolarHBondContact O-CB 3.4Å; Y279-L283 VanDerWaalsContact O-CG 3.28Å; Y279-L283 WeakPolarHBondContact O-CG 3.41Å; Y279-L283 PolarHBondContact O-N 3.09Å; Y279-V290 HydrophobicContact CE2-CB 4.08Å; Y279-V290 HydrophobicContact CE2-CG2 3.77Å; Y279-V290 PolarHBondContact OH-O 3.02Å; Y279-L297 HydrophobicContact CD1-CD1 4.49Å; Y279-L297 HydrophobicContact CD1-CG 4.41Å; Y279-L297 HydrophobicContact CD2-CD1 4.45Å; Y279-L297 HydrophobicContact CD2-CD2 3.66Å; Y279-L297 HydrophobicContact CD2-CG 4.03Å; Y279-L297 HydrophobicContact CE1-CD1 4.49Å; Y279-L297 HydrophobicContact CE1-CG 4.01Å; Y279-L297 HydrophobicContact CE2-CD1 4.48Å; Y279-L297 HydrophobicContact CE2-CD2 3.33Å; Y279-L297 HydrophobicContact CE2-CG 3.62Å; Y279-L297 HydrophobicContact CG-CD1 4.46Å; Y279-L297 HydrophobicContact CG-CD2 4.45Å; Y279-L297 HydrophobicContact CG-CG 4.42Å; Y279-W298 HydrophobicContact CE1-CE3 4.42Å; Y279-F301 HydrophobicContact CD1-CB 3.82Å; Y279-F301 AromaticContact CD1-CD2 3.91Å; Y279-F301 HydrophobicContact CD1-CD2 3.91Å; Y279-F301 AromaticContact CD1-CG 3.91Å; Y279-F301 HydrophobicContact CD1-CG 3.91Å; Y279-F301 HydrophobicContact CE1-CB 3.73Å; Y279-F301 HydrophobicContact CE1-CD2 4.48Å; Y279-F301 HydrophobicContact CE1-CG 4.02Å |
| 280 | S | 94.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -28.4 | 172.9 | -65 | 0 | 0 | 0 | 0 | 113.3 | V276 R277 F278 V284 F301 | V276-S280 WeakPolarHBondContact O-CB 3.01Å; V276-S280 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-OG 3.33Å; R277-S280 WeakPolarHBondContact O-CB 3.01Å; R277-S280 PolarHBondContact O-N 3.45Å; F278-S280 VanDerWaalsContact C-N 3.3Å; F278-S280 PolarHBondContact O-N 3.07Å; S280-V284 WeakPolarHBondContact O-CG2 3.35Å; S280-F301 WeakPolarHBondContact OG-CE2 3.48Å |
| 281 | Q | 93.6 | Very high | 92 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -76.3 | -46.6 | 172.8 | -66.7 | 172.6 | -74.5 | 0 | 0 | 110.7 | Y239 R277 F278 Y279 L283 V284 | Y239-Q281 HydrophobicContact CD2-CB 4.15Å; Y239-Q281 HydrophobicContact CE2-CB 3.37Å; R277-Q281 WeakPolarHBondContact O-CG 3.15Å; R277-Q281 PolarHBondContact O-N 3.31Å; F278-Q281 WeakPolarHBondContact O-CB 3.4Å; F278-Q281 PolarHBondContact O-N 3.5Å; F278-Q281 VanDerWaalsContact O-N 3.09Å; Y279-Q281 VanDerWaalsContact C-N 3.26Å; Y279-Q281 PolarHBondContact O-N 3.03Å; Q281-L283 PolarHBondContact O-N 3.33Å; Q281-V284 WeakPolarHBondContact O-CB 3.45Å; Q281-V284 PolarHBondContact O-N 2.9Å |
| 282 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -33.5 | 176.7 | -64.6 | 179 | 0 | 0 | 0 | 113.3 | Y239 F242 V243 I260 F278 Y279 V284 L288 V290 | Y239-L282 HydrophobicContact CD2-CD2 4.05Å; Y239-L282 HydrophobicContact CE2-CD2 3.64Å; Y239-L282 HydrophobicContact CE2-CG 4.13Å; F242-L282 HydrophobicContact CD1-CD1 3.78Å; F242-L282 HydrophobicContact CD1-CD2 3.42Å; F242-L282 VanDerWaalsContact CD1-CD2 3.42Å; F242-L282 HydrophobicContact CD1-CG 4.26Å; F242-L282 HydrophobicContact CD2-CD1 4.49Å; F242-L282 HydrophobicContact CE1-CD1 3.74Å; F242-L282 HydrophobicContact CE1-CD2 3.91Å; F242-L282 HydrophobicContact CE1-CG 4.44Å; F242-L282 HydrophobicContact CE2-CD1 4.42Å; F242-L282 HydrophobicContact CG-CD1 4.2Å; F242-L282 HydrophobicContact CG-CD2 4.19Å; F242-L282 HydrophobicContact CZ-CD1 4.1Å; V243-L282 HydrophobicContact CG2-CD2 4.1Å; I260-L282 HydrophobicContact CD1-CD1 4.26Å; F278-L282 HydrophobicContact CD1-CD1 3.98Å; F278-L282 HydrophobicContact CE1-CD1 3.57Å; F278-L282 HydrophobicContact CE1-CG 4.3Å; F278-L282 HydrophobicContact CZ-CD1 4.32Å; F278-L282 PolarHBondContact O-N 3.48Å; F278-L282 VanDerWaalsContact O-N 3.12Å; Y279-L282 PolarHBondContact O-N 3.12Å; L282-V284 VanDerWaalsContact C-N 3.28Å; L282-V284 PolarHBondContact O-N 3.41Å; L282-L288 HydrophobicContact CB-CD1 4.47Å; L282-L288 HydrophobicContact CD2-CD1 3.81Å; L282-V290 HydrophobicContact CB-CG2 4.17Å |
| 283 | L | 95 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.3 | 174.9 | -75 | 168.7 | 0 | 0 | 0 | 114.2 | Y279 Q281 V290 A291 W298 F301 L323 L330 | Y279-L283 HydrophobicContact CD1-CD1 3.68Å; Y279-L283 HydrophobicContact CD1-CG 4.16Å; Y279-L283 HydrophobicContact CE1-CD1 3.56Å; Y279-L283 HydrophobicContact CE1-CD2 4.09Å; Y279-L283 HydrophobicContact CE1-CG 3.9Å; Y279-L283 HydrophobicContact CE2-CG 4.39Å; Y279-L283 HydrophobicContact CG-CD1 4.43Å; Y279-L283 WeakPolarHBondContact O-CB 3.4Å; Y279-L283 VanDerWaalsContact O-CG 3.28Å; Y279-L283 WeakPolarHBondContact O-CG 3.41Å; Y279-L283 PolarHBondContact O-N 3.09Å; Q281-L283 PolarHBondContact O-N 3.33Å; L283-V290 HydrophobicContact CD2-CG2 4.18Å; L283-A291 HydrophobicContact CD2-CB 3.88Å; L283-W298 HydrophobicContact CD1-CE3 4.29Å; L283-W298 HydrophobicContact CD1-CZ3 3.86Å; L283-W298 HydrophobicContact CD2-CE3 4.07Å; L283-W298 HydrophobicContact CD2-CZ3 4.02Å; L283-F301 HydrophobicContact CD1-CD1 4.15Å; L283-F301 HydrophobicContact CD1-CE1 3.98Å; L283-F301 HydrophobicContact CD1-CE2 4.45Å; L283-F301 HydrophobicContact CD1-CG 4.47Å; L283-F301 HydrophobicContact CD1-CZ 4.14Å; L283-L323 HydrophobicContact CB-CD1 4.09Å; L283-L323 HydrophobicContact CB-CD2 3.75Å; L283-L323 HydrophobicContact CD1-CD1 4.07Å; L283-L323 WeakPolarHBondContact O-CD2 3.43Å; L283-L330 HydrophobicContact CD2-CD1 4.21Å |
| 284 | V | 93.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 24% | 0.236 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -32.9 | 179.5 | 165.5 | 0 | 0 | 0 | 0 | 111.8 | S280 Q281 L282 I319 L323 | S280-V284 WeakPolarHBondContact O-CG2 3.35Å; Q281-V284 WeakPolarHBondContact O-CB 3.45Å; Q281-V284 PolarHBondContact O-N 2.9Å; L282-V284 VanDerWaalsContact C-N 3.28Å; L282-V284 PolarHBondContact O-N 3.41Å; V284-I319 HydrophobicContact CG2-CD1 3.83Å; V284-I319 HydrophobicContact CG2-CG1 4.26Å; V284-L323 HydrophobicContact CG2-CD2 3.79Å |
| 285 | E | 91.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 27% | 0.271 | 22% | 0.215 | S | C | . | . | trans | -64.3 | 119.9 | -179.3 | -59.8 | -66 | 179 | 0 | 0 | 110.3 | Y239 E287 L288 | Y239-E285 WeakPolarHBondContact OH-CG 3.47Å; Y239-E285 PolarHBondContact OH-OE1 2.88Å; E285-E287 PolarHBondContact O-N 3.32Å; E285-L288 HydrophobicContact CB-CB 4.32Å; E285-L288 HydrophobicContact CB-CD1 3.62Å; E285-L288 HydrophobicContact CB-CG 3.62Å; E285-L288 HydrophobicContact CG-CD1 3.89Å; E285-L288 HydrophobicContact CG-CG 4.4Å; E285-L288 PolarHBondContact O-N 3.04Å | ||
| 286 | P | 83 | Confident | 92.3 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 60% | 0.597 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21.3 | -169.6 | 27.8 | -35.4 | 0 | 0 | 0 | 113.3 | R327 | P286-R327 PolarHBondContact O-NH2 2.65Š|
| 287 | E | 84.3 | Confident | 92.3 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18.6 | 179.9 | -66.9 | 164.8 | -164 | 0 | 0 | 112.8 | R247 E285 | R247-E287 IonicContact CZ-OE2 2.77Å; R247-E287 IonicContact NE-OE2 3.87Å; R247-E287 PolarHBondContact NE-OE2 2.98Å; R247-E287 IonicContact NH2-OE1 3.15Å; R247-E287 IonicContact NH2-OE2 3.92Å; R247-E287 PolarHBondContact NH2-OE2 3.48Å; E285-E287 PolarHBondContact O-N 3.32Å |
| 288 | L | 91 | Very high | 92.4 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | trans | -98 | 112.9 | -172.5 | -45.7 | -176 | 0 | 0 | 0 | 111 | V243 Y246 L282 E285 V290 R327 | V243-L288 HydrophobicContact CG2-CD1 4.19Å; Y246-L288 HydrophobicContact CD1-CB 4.39Å; Y246-L288 HydrophobicContact CD1-CD2 3.26Å; Y246-L288 HydrophobicContact CD1-CG 4.38Å; Y246-L288 HydrophobicContact CE1-CB 4.28Å; Y246-L288 HydrophobicContact CE1-CD2 3.89Å; Y246-L288 HydrophobicContact CG-CD2 3.77Å; L282-L288 HydrophobicContact CB-CD1 4.47Å; L282-L288 HydrophobicContact CD2-CD1 3.81Å; E285-L288 HydrophobicContact CB-CB 4.32Å; E285-L288 HydrophobicContact CB-CD1 3.62Å; E285-L288 HydrophobicContact CB-CG 3.62Å; E285-L288 HydrophobicContact CG-CD1 3.89Å; E285-L288 HydrophobicContact CG-CG 4.4Å; E285-L288 PolarHBondContact O-N 3.04Å; L288-V290 VanDerWaalsContact C-N 3.26Å; L288-V290 HydrophobicContact CB-CG1 4.2Å; L288-V290 PolarHBondContact O-N 2.77Å; L288-R327 PolarHBondContact O-NH2 2.75Å | ||
| 289 | N | 91.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | trans | -90.8 | 29.9 | -179.6 | -64.2 | -53.5 | 0 | 0 | 0 | 113.4 | Y246 A291 T292 D293 R327 | Y246-N289 WeakPolarHBondContact OH-CA 3.4Å; Y246-N289 WeakPolarHBondContact OH-CB 3.45Å; Y246-N289 PolarHBondContact OH-N 3.16Å; N289-A291 PolarHBondContact O-N 3.09Å; N289-T292 WeakPolarHBondContact O-CA 3.25Å; N289-T292 WeakPolarHBondContact O-CB 3.18Å; N289-T292 PolarHBondContact O-N 3.15Å; N289-D293 PolarHBondContact O-N 2.72Å; N289-R327 PolarHBondContact OD1-NH1 3.25Å; N289-R327 PolarHBondContact OD1-NH2 2.87Å | ||
| 290 | V | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.4 | -15.7 | -173.9 | -65.5 | 0 | 0 | 0 | 0 | 116.2 | F242 Y246 L257 Y279 L282 L283 L288 | F242-V290 HydrophobicContact CE1-CG1 4.09Å; F242-V290 HydrophobicContact CZ-CG1 4.22Å; Y246-V290 HydrophobicContact CD2-CG1 4.24Å; Y246-V290 HydrophobicContact CE2-CG1 3.98Å; L257-V290 HydrophobicContact CD1-CG1 4.47Å; L257-V290 HydrophobicContact CD2-CG1 4.3Å; Y279-V290 HydrophobicContact CE2-CB 4.08Å; Y279-V290 HydrophobicContact CE2-CG2 3.77Å; Y279-V290 PolarHBondContact OH-O 3.02Å; L282-V290 HydrophobicContact CB-CG2 4.17Å; L283-V290 HydrophobicContact CD2-CG2 4.18Å; L288-V290 VanDerWaalsContact C-N 3.26Å; L288-V290 HydrophobicContact CB-CG1 4.2Å; L288-V290 PolarHBondContact O-N 2.77Å |
| 291 | A | 93.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80.3 | -35.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L283 N289 W298 L330 | L283-A291 HydrophobicContact CD2-CB 3.88Å; N289-A291 PolarHBondContact O-N 3.09Å; A291-W298 HydrophobicContact CB-CB 4.3Å; A291-W298 HydrophobicContact CB-CD2 4.14Å; A291-W298 HydrophobicContact CB-CE3 4.13Å; A291-W298 HydrophobicContact CB-CG 4.22Å; A291-L330 HydrophobicContact CB-CD1 4.36Å; A291-L330 HydrophobicContact CB-CD2 3.82Å |
| 292 | T | 92.5 | Very high | 92.9 | Very high | 99 Ų | 99 | 45 Ų | 45 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -77.7 | -42.1 | 177.8 | -51.2 | 0 | 0 | 0 | 0 | 111 | N289 P295 | N289-T292 WeakPolarHBondContact O-CA 3.25Å; N289-T292 WeakPolarHBondContact O-CB 3.18Å; N289-T292 PolarHBondContact O-N 3.15Å; T292-P295 WeakPolarHBondContact O-CD 3.31Å; T292-P295 WeakPolarHBondContact O-CG 3.45Å |
| 293 | D | 93 | Very high | 93 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.1 | -28 | -175.3 | -50.6 | -27.3 | 0 | 0 | 0 | 112.4 | Y246 I254 N289 | Y246-D293 VanDerWaalsContact CE2-OD2 3.28Å; Y246-D293 WeakPolarHBondContact CE2-OD2 3.13Å; Y246-D293 VanDerWaalsContact CZ-OD2 3.3Å; Y246-D293 PolarHBondContact OH-OD2 3.03Å; I254-D293 HydrophobicContact CD1-CB 3.84Å; I254-D293 HydrophobicContact CG1-CB 3.93Å; N289-D293 PolarHBondContact O-N 2.72Å |
| 294 | N | 92.6 | Very high | 93.1 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | trans | -132.7 | 80.1 | 173.3 | -162.2 | -40.9 | 0 | 0 | 0 | 112 | L257 Q296 L297 W298 | L257-N294 HydrophobicContact CB-CB 4.16Å; L257-N294 WeakPolarHBondContact CB-ND2 3.34Å; L257-N294 HydrophobicContact CD1-CB 3.69Å; N294-Q296 PolarHBondContact O-N 3.09Å; N294-Q296 VanDerWaalsContact O-N 3.16Å; N294-Q296 PolarHBondContact OD1-N 2.9Å; N294-L297 HydrophobicContact CB-CB 4.02Å; N294-L297 WeakPolarHBondContact O-CB 3.45Å; N294-L297 PolarHBondContact O-N 2.71Å; N294-L297 WeakPolarHBondContact OD1-CB 3.49Å; N294-L297 PolarHBondContact OD1-N 2.71Å; N294-W298 PolarHBondContact O-N 3.43Å; N294-W298 VanDerWaalsContact O-N 3.11Å | ||
| 295 | P | 93.7 | Very high | 93.3 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 41% | 0.409 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -25.8 | 178.3 | -25.2 | 36.3 | 0 | 0 | 0 | 113.3 | T292 W298 H299 | T292-P295 WeakPolarHBondContact O-CD 3.31Å; T292-P295 WeakPolarHBondContact O-CG 3.45Å; P295-W298 PolarHBondContact O-N 3.38Å; P295-H299 WeakPolarHBondContact O-CB 3.44Å; P295-H299 PolarHBondContact O-CD2 2.86Å; P295-H299 PolarHBondContact O-N 3.05Å |
| 296 | Q | 93.6 | Very high | 93.6 | Very high | 142 Ų | 142 | 49.4 Ų | 49.4 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.4 | -36.5 | 175.9 | -61.1 | -168 | 19.9 | 0 | 0 | 112.3 | N294 S300 | N294-Q296 PolarHBondContact O-N 3.09Å; N294-Q296 VanDerWaalsContact O-N 3.16Å; N294-Q296 PolarHBondContact OD1-N 2.9Å; Q296-S300 VanDerWaalsContact O-CB 3.31Å; Q296-S300 WeakPolarHBondContact O-CB 3.32Å; Q296-S300 PolarHBondContact O-N 2.88Å; Q296-S300 PolarHBondContact O-OG 3.15Å |
| 297 | L | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.9 | -42.9 | 173.3 | 176.2 | 56.9 | 0 | 0 | 0 | 110.7 | L257 I260 C261 M264 Y279 N294 S300 F301 | L257-L297 HydrophobicContact CB-CD2 4.08Å; L257-L297 HydrophobicContact CD2-CD2 3.85Å; L257-L297 HydrophobicContact CG-CD2 4.46Å; I260-L297 HydrophobicContact CB-CD1 4.25Å; I260-L297 HydrophobicContact CB-CD2 4.15Å; I260-L297 HydrophobicContact CG2-CD1 3.85Å; I260-L297 HydrophobicContact CG2-CD2 4.15Å; C261-L297 HydrophobicContact CB-CB 4.18Å; C261-L297 HydrophobicContact CB-CD1 3.98Å; M264-L297 HydrophobicContact CE-CD1 3.77Å; M264-L297 HydrophobicContact SD-CD1 4.21Å; Y279-L297 HydrophobicContact CD1-CD1 4.49Å; Y279-L297 HydrophobicContact CD1-CG 4.41Å; Y279-L297 HydrophobicContact CD2-CD1 4.45Å; Y279-L297 HydrophobicContact CD2-CD2 3.66Å; Y279-L297 HydrophobicContact CD2-CG 4.03Å; Y279-L297 HydrophobicContact CE1-CD1 4.49Å; Y279-L297 HydrophobicContact CE1-CG 4.01Å; Y279-L297 HydrophobicContact CE2-CD1 4.48Å; Y279-L297 HydrophobicContact CE2-CD2 3.33Å; Y279-L297 HydrophobicContact CE2-CG 3.62Å; Y279-L297 HydrophobicContact CG-CD1 4.46Å; Y279-L297 HydrophobicContact CG-CD2 4.45Å; Y279-L297 HydrophobicContact CG-CG 4.42Å; N294-L297 HydrophobicContact CB-CB 4.02Å; N294-L297 WeakPolarHBondContact O-CB 3.45Å; N294-L297 PolarHBondContact O-N 2.71Å; N294-L297 WeakPolarHBondContact OD1-CB 3.49Å; N294-L297 PolarHBondContact OD1-N 2.71Å; L297-S300 WeakPolarHBondContact O-CB 3.36Å; L297-S300 PolarHBondContact O-N 3.37Å; L297-S300 VanDerWaalsContact O-N 3.15Å; L297-F301 PolarHBondContact O-N 3.01Å |
| 298 | W | 96.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 172.7 | 176.7 | -120.7 | 0 | 0 | 0 | 112.3 | Y279 L283 A291 N294 P295 S300 F301 L302 L330 D333 L334 | Y279-W298 HydrophobicContact CE1-CE3 4.42Å; L283-W298 HydrophobicContact CD1-CE3 4.29Å; L283-W298 HydrophobicContact CD1-CZ3 3.86Å; L283-W298 HydrophobicContact CD2-CE3 4.07Å; L283-W298 HydrophobicContact CD2-CZ3 4.02Å; A291-W298 HydrophobicContact CB-CB 4.3Å; A291-W298 HydrophobicContact CB-CD2 4.14Å; A291-W298 HydrophobicContact CB-CE3 4.13Å; A291-W298 HydrophobicContact CB-CG 4.22Å; N294-W298 PolarHBondContact O-N 3.43Å; N294-W298 VanDerWaalsContact O-N 3.11Å; P295-W298 PolarHBondContact O-N 3.38Å; W298-S300 VanDerWaalsContact C-N 3.29Å; W298-S300 PolarHBondContact O-N 3.26Å; W298-F301 AromaticContact CE3-CD1 3.88Å; W298-F301 HydrophobicContact CE3-CD1 3.88Å; W298-F301 HydrophobicContact CH2-CD1 4.36Å; W298-F301 HydrophobicContact CH2-CE1 4.36Å; W298-F301 AromaticContact CZ3-CD1 3.57Å; W298-F301 HydrophobicContact CZ3-CD1 3.57Å; W298-F301 AromaticContact CZ3-CE1 3.78Å; W298-F301 HydrophobicContact CZ3-CE1 3.78Å; W298-F301 WeakPolarHBondContact O-CB 3.35Å; W298-F301 PolarHBondContact O-N 2.94Å; W298-L302 HydrophobicContact CD2-CD1 4.44Å; W298-L302 HydrophobicContact CD2-CG 4.36Å; W298-L302 HydrophobicContact CH2-CD2 4.14Å; W298-L302 HydrophobicContact CZ2-CD1 4.2Å; W298-L302 HydrophobicContact CZ2-CD2 3.85Å; W298-L302 HydrophobicContact CZ2-CG 4.17Å; W298-L302 WeakPolarHBondContact O-CG 3.35Å; W298-L302 PolarHBondContact O-N 3.42Å; W298-L330 HydrophobicContact CH2-CB 4.06Å; W298-L330 HydrophobicContact CH2-CD1 4.02Å; W298-L330 HydrophobicContact CH2-CD2 4.27Å; W298-L330 HydrophobicContact CH2-CG 4.35Å; W298-L330 HydrophobicContact CZ2-CB 4.06Å; W298-L330 HydrophobicContact CZ2-CD2 3.96Å; W298-L330 HydrophobicContact CZ2-CG 4.4Å; W298-L330 HydrophobicContact CZ3-CD1 4.19Å; W298-D333 HydrophobicContact CZ2-CB 3.87Å; W298-D333 PolarHBondContact NE1-OD2 2.92Å; W298-L334 HydrophobicContact CH2-CD1 4.41Å; W298-L334 HydrophobicContact CH2-CD2 3.93Å; W298-L334 HydrophobicContact CH2-CG 4.05Å; W298-L334 HydrophobicContact CZ2-CG 4.49Å |
| 299 | H | 95.5 | Very high | 95.2 | Very high | 117 Ų | 117 | 46.8 Ų | 46.8 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -33.6 | 175.2 | -66.6 | -32.4 | 0 | 0 | 0 | 112.8 | P295 G303 | P295-H299 WeakPolarHBondContact O-CB 3.44Å; P295-H299 PolarHBondContact O-CD2 2.86Å; P295-H299 PolarHBondContact O-N 3.05Å; H299-G303 PolarHBondContact O-N 2.73Å |
| 300 | S | 94.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 173.8 | -61 | 0 | 0 | 0 | 0 | 111.3 | C261 K265 Q296 L297 W298 G303 R304 | C261-S300 PolarHBondContact SG-OG 3.41Å; K265-S300 WeakPolarHBondContact CE-OG 3.49Å; K265-S300 PolarHBondContact NZ-OG 3.31Å; Q296-S300 VanDerWaalsContact O-CB 3.31Å; Q296-S300 WeakPolarHBondContact O-CB 3.32Å; Q296-S300 PolarHBondContact O-N 2.88Å; Q296-S300 PolarHBondContact O-OG 3.15Å; L297-S300 WeakPolarHBondContact O-CB 3.36Å; L297-S300 PolarHBondContact O-N 3.37Å; L297-S300 VanDerWaalsContact O-N 3.15Å; W298-S300 VanDerWaalsContact C-N 3.29Å; W298-S300 PolarHBondContact O-N 3.26Å; S300-G303 CarbonylContact O-C 3.56Å; S300-G303 WeakPolarHBondContact O-CA 3.12Å; S300-G303 PolarHBondContact O-N 2.89Å; S300-G303 VanDerWaalsContact O-N 3.13Å; S300-R304 WeakPolarHBondContact O-CG 3.33Å; S300-R304 PolarHBondContact O-N 3.07Å |
| 301 | F | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 175 | 171.1 | -98.8 | 0 | 0 | 0 | 112.5 | M264 V276 Y279 S280 L283 L297 W298 G303 R304 F305 I319 | M264-F301 HydrophobicContact CE-CB 4.25Å; M264-F301 VanDerWaalsContact SD-CA 3.5Å; M264-F301 HydrophobicContact SD-CB 3.88Å; M264-F301 PolarHBondContact SD-N 3.48Å; M264-F301 VanDerWaalsContact SD-N 3.4Å; V276-F301 HydrophobicContact CG1-CD2 4.47Å; V276-F301 HydrophobicContact CG1-CE2 4.18Å; Y279-F301 HydrophobicContact CD1-CB 3.82Å; Y279-F301 AromaticContact CD1-CD2 3.91Å; Y279-F301 HydrophobicContact CD1-CD2 3.91Å; Y279-F301 AromaticContact CD1-CG 3.91Å; Y279-F301 HydrophobicContact CD1-CG 3.91Å; Y279-F301 HydrophobicContact CE1-CB 3.73Å; Y279-F301 HydrophobicContact CE1-CD2 4.48Å; Y279-F301 HydrophobicContact CE1-CG 4.02Å; S280-F301 WeakPolarHBondContact OG-CE2 3.48Å; L283-F301 HydrophobicContact CD1-CD1 4.15Å; L283-F301 HydrophobicContact CD1-CE1 3.98Å; L283-F301 HydrophobicContact CD1-CE2 4.45Å; L283-F301 HydrophobicContact CD1-CG 4.47Å; L283-F301 HydrophobicContact CD1-CZ 4.14Å; L297-F301 PolarHBondContact O-N 3.01Å; W298-F301 AromaticContact CE3-CD1 3.88Å; W298-F301 HydrophobicContact CE3-CD1 3.88Å; W298-F301 HydrophobicContact CH2-CD1 4.36Å; W298-F301 HydrophobicContact CH2-CE1 4.36Å; W298-F301 AromaticContact CZ3-CD1 3.57Å; W298-F301 HydrophobicContact CZ3-CD1 3.57Å; W298-F301 AromaticContact CZ3-CE1 3.78Å; W298-F301 HydrophobicContact CZ3-CE1 3.78Å; W298-F301 WeakPolarHBondContact O-CB 3.35Å; W298-F301 PolarHBondContact O-N 2.94Å; F301-G303 PolarHBondContact O-N 3.31Å; F301-R304 WeakPolarHBondContact O-CA 3.26Å; F301-R304 WeakPolarHBondContact O-CB 3.36Å; F301-R304 PolarHBondContact O-N 3.01Å; F301-F305 HydrophobicContact CD1-CE2 4.41Å; F301-F305 AromaticContact CE1-CE2 3.92Å; F301-F305 HydrophobicContact CE1-CE2 3.92Å; F301-F305 HydrophobicContact CZ-CE2 4.31Å; F301-I319 HydrophobicContact CZ-CG2 3.97Å |
| 302 | L | 97.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -35.8 | 170.6 | -67 | 175.4 | 0 | 0 | 0 | 111.5 | W298 R304 F305 D333 A337 | W298-L302 HydrophobicContact CD2-CD1 4.44Å; W298-L302 HydrophobicContact CD2-CG 4.36Å; W298-L302 HydrophobicContact CH2-CD2 4.14Å; W298-L302 HydrophobicContact CZ2-CD1 4.2Å; W298-L302 HydrophobicContact CZ2-CD2 3.85Å; W298-L302 HydrophobicContact CZ2-CG 4.17Å; W298-L302 WeakPolarHBondContact O-CG 3.35Å; W298-L302 PolarHBondContact O-N 3.42Å; L302-R304 PolarHBondContact O-N 2.92Å; L302-F305 HydrophobicContact CD2-CE2 4.18Å; L302-F305 WeakPolarHBondContact O-CB 3.47Å; L302-F305 WeakPolarHBondContact O-CD2 3.49Å; L302-F305 PolarHBondContact O-N 2.93Å; L302-D333 HydrophobicContact CD1-CB 3.82Å; L302-D333 HydrophobicContact CD2-CB 4.07Å; L302-A337 HydrophobicContact CD2-CB 4.48Å |
| 303 | G | 96.4 | Very high | 96.2 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -64 | -19.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115 | H299 S300 F301 H306 | H299-G303 PolarHBondContact O-N 2.73Å; S300-G303 CarbonylContact O-C 3.56Å; S300-G303 WeakPolarHBondContact O-CA 3.12Å; S300-G303 PolarHBondContact O-N 2.89Å; S300-G303 VanDerWaalsContact O-N 3.13Å; F301-G303 PolarHBondContact O-N 3.31Å; G303-H306 PolarHBondContact O-N 3.43Å |
| 304 | R | 97 | Very high | 96.4 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -80.9 | -14.8 | 175.5 | -58.6 | -60.3 | 78.6 | 161.6 | -14.2 | 113.9 | M264 V276 S300 F301 L302 H306 D307 I312 | M264-R304 HydrophobicContact CG-CG 3.61Å; M264-R304 WeakPolarHBondContact O-CD 3.21Å; M264-R304 PolarHBondContact O-NH1 3.2Å; M264-R304 HydrophobicContact SD-CG 3.85Å; V276-R304 HydrophobicContact CG2-CB 3.97Å; V276-R304 HydrophobicContact CG2-CG 3.62Å; S300-R304 WeakPolarHBondContact O-CG 3.33Å; S300-R304 PolarHBondContact O-N 3.07Å; F301-R304 WeakPolarHBondContact O-CA 3.26Å; F301-R304 WeakPolarHBondContact O-CB 3.36Å; F301-R304 PolarHBondContact O-N 3.01Å; L302-R304 PolarHBondContact O-N 2.92Å; R304-H306 PolarHBondContact O-N 2.74Å; R304-H306 VanDerWaalsContact O-N 3.16Å; R304-D307 IonicContact CZ-OD2 3.49Å; R304-D307 IonicContact NE-OD2 3.52Å; R304-D307 IonicContact NH1-OD2 2.74Å; R304-D307 WeakPolarHBondContact O-CB 3.31Å; R304-D307 PolarHBondContact O-N 3.08Å; R304-D307 VanDerWaalsContact O-N 3.08Å; R304-I312 HydrophobicContact CB-CG2 3.98Å |
| 305 | F | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -61.2 | -19.3 | 161.1 | -69.3 | -105.6 | 0 | 0 | 0 | 111.8 | F301 L302 R313 C316 V317 S320 L334 A337 R341 | F301-F305 HydrophobicContact CD1-CE2 4.41Å; F301-F305 AromaticContact CE1-CE2 3.92Å; F301-F305 HydrophobicContact CE1-CE2 3.92Å; F301-F305 HydrophobicContact CZ-CE2 4.31Å; L302-F305 HydrophobicContact CD2-CE2 4.18Å; L302-F305 WeakPolarHBondContact O-CB 3.47Å; L302-F305 WeakPolarHBondContact O-CD2 3.49Å; L302-F305 PolarHBondContact O-N 2.93Å; F305-R313 VanDerWaalsContact O-CD 3.32Å; F305-R313 WeakPolarHBondContact O-CD 3.28Å; F305-R313 WeakPolarHBondContact O-CG 3.48Å; F305-C316 HydrophobicContact CD1-CB 3.9Å; F305-C316 HydrophobicContact CD2-CB 3.74Å; F305-C316 HydrophobicContact CE1-CB 3.84Å; F305-C316 HydrophobicContact CE2-CB 3.68Å; F305-C316 HydrophobicContact CG-CB 3.87Å; F305-C316 HydrophobicContact CZ-CB 3.74Å; F305-C316 WeakPolarHBondContact CZ-O 3.44Å; F305-V317 HydrophobicContact CD1-CG2 4.03Å; F305-V317 HydrophobicContact CE1-CG2 4.16Å; F305-S320 WeakPolarHBondContact CE1-OG 3.48Å; F305-S320 VanDerWaalsContact CZ-OG 3.28Å; F305-S320 WeakPolarHBondContact CZ-OG 3.33Å; F305-L334 HydrophobicContact CE2-CD2 4.4Å; F305-L334 HydrophobicContact CZ-CD2 3.91Å; F305-A337 HydrophobicContact CD1-CB 3.71Å; F305-A337 HydrophobicContact CD2-CB 4.04Å; F305-A337 HydrophobicContact CE1-CB 3.72Å; F305-A337 HydrophobicContact CE2-CB 4.05Å; F305-A337 HydrophobicContact CG-CB 3.86Å; F305-A337 HydrophobicContact CZ-CB 3.89Å; F305-R341 HydrophobicContact CB-CG 4.41Å; F305-R341 HydrophobicContact CD1-CG 4.3Å; F305-R341 WeakPolarHBondContact O-CD 3.41Å; F305-R341 PolarHBondContact O-NH1 3.15Å |
| 306 | H | 97.1 | Very high | 96.8 | Very high | 115 Ų | 115 | 41.6 Ų | 41.6 | 53% | 0.532 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -107.6 | 18.2 | 175.5 | -69.4 | 70.4 | 0 | 0 | 0 | 113.3 | G303 R304 S340 R341 | G303-H306 PolarHBondContact O-N 3.43Å; R304-H306 PolarHBondContact O-N 2.74Å; R304-H306 VanDerWaalsContact O-N 3.16Å; H306-S340 PolarHBondContact CE1-OG 3.45Å; H306-R341 PolarHBondContact CD2-NH1 2.87Å; H306-R341 PolarHBondContact CD2-NH2 3.06Å; H306-R341 PolarHBondContact CE1-NH2 2.81Å; H306-R341 VanDerWaalsContact CG-NH1 3.26Å; H306-R341 PolarHBondContact ND1-NH1 3Å; H306-R341 PolarHBondContact NE2-NH1 2.93Å; H306-R341 PolarHBondContact NE2-NH2 3.48Å |
| 307 | D | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | trans | -63.3 | 151.6 | 175.3 | -156.7 | -74.3 | 0 | 0 | 0 | 111.9 | R272 R304 S309 I312 R313 | R272-D307 IonicContact CZ-OD1 3Å; R272-D307 IonicContact CZ-OD2 2.64Å; R272-D307 IonicContact NE-OD1 2.68Å; R272-D307 IonicContact NE-OD2 3.9Å; R272-D307 PolarHBondContact NE-OD2 3.13Å; R272-D307 IonicContact NH2-OD1 3.33Å; R272-D307 PolarHBondContact NH2-OD1 2.68Å; R272-D307 IonicContact NH2-OD2 2.59Å; R304-D307 IonicContact CZ-OD2 3.49Å; R304-D307 IonicContact NE-OD2 3.52Å; R304-D307 IonicContact NH1-OD2 2.74Å; R304-D307 WeakPolarHBondContact O-CB 3.31Å; R304-D307 PolarHBondContact O-N 3.08Å; R304-D307 VanDerWaalsContact O-N 3.08Å; D307-S309 VanDerWaalsContact C-N 3.27Å; D307-S309 PolarHBondContact O-N 3.16Å; D307-S309 WeakPolarHBondContact OD1-CB 3.48Å; D307-S309 PolarHBondContact OD1-N 3.37Å; D307-I312 HydrophobicContact CB-CB 4.12Å; D307-I312 HydrophobicContact CB-CG2 3.81Å; D307-R313 HydrophobicContact CB-CG 4.36Å; D307-R313 WeakPolarHBondContact O-CD 3.39Å; D307-R313 PolarHBondContact O-NE 3.18Å | ||
| 308 | V | 96.3 | Very high | 97.1 | Very high | 126 Ų | 126 | 40.1 Ų | 40.1 | 76% | 0.764 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -61.2 | -42.4 | 174.3 | -176 | 0 | 0 | 0 | 0 | 109.8 | P310 R313 | V308-P310 WeakPolarHBondContact O-CD 3.18Å; V308-R313 PolarHBondContact O-NH2 3.18Å |
| 309 | S | 97 | Very high | 97.1 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | trans | -72 | 120.1 | -173.2 | -146.9 | 0 | 0 | 0 | 0 | 112.6 | D269 D307 I312 R313 | D269-S309 WeakPolarHBondContact OD2-CB 3.34Å; D269-S309 PolarHBondContact OD2-OG 3.1Å; D307-S309 VanDerWaalsContact C-N 3.27Å; D307-S309 PolarHBondContact O-N 3.16Å; D307-S309 WeakPolarHBondContact OD1-CB 3.48Å; D307-S309 PolarHBondContact OD1-N 3.37Å; S309-I312 PolarHBondContact O-N 3.15Å; S309-R313 PolarHBondContact O-N 2.94Å | ||
| 310 | P | 97.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 176.2 | -20.9 | 31.1 | 0 | 0 | 0 | 114.3 | V308 I312 R313 Q314 I349 | V308-P310 WeakPolarHBondContact O-CD 3.18Å; P310-I312 VanDerWaalsContact C-N 3.29Å; P310-I312 PolarHBondContact O-N 3.37Å; P310-R313 PolarHBondContact O-N 3.06Å; P310-Q314 PolarHBondContact O-N 2.93Å; P310-I349 VanDerWaalsContact O-CD1 3.31Å; P310-I349 WeakPolarHBondContact O-CD1 3.5Å |
| 311 | P | 97.6 | Very high | 97.2 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.4 | -40.4 | 178.3 | -28 | 36.6 | 0 | 0 | 0 | 113.6 | F273 Q314 C315 | F273-P311 HydrophobicContact CD2-CB 3.99Å; F273-P311 HydrophobicContact CE2-CB 3.94Å; P311-Q314 PolarHBondContact O-N 2.87Å; P311-C315 PolarHBondContact O-N 3.11Å |
| 312 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -51.2 | 177 | -61.4 | 178.2 | 0 | 0 | 0 | 110.1 | R272 F273 V276 R304 D307 S309 P310 Q314 C315 C316 | R272-I312 HydrophobicContact CB-CD1 3.61Å; F273-I312 HydrophobicContact CB-CD1 4.39Å; F273-I312 HydrophobicContact CB-CG1 3.88Å; F273-I312 HydrophobicContact CD2-CG1 4Å; F273-I312 HydrophobicContact CG-CG1 4.46Å; V276-I312 HydrophobicContact CG1-CG2 4.45Å; V276-I312 HydrophobicContact CG2-CG2 4.09Å; R304-I312 HydrophobicContact CB-CG2 3.98Å; D307-I312 HydrophobicContact CB-CB 4.12Å; D307-I312 HydrophobicContact CB-CG2 3.81Å; S309-I312 PolarHBondContact O-N 3.15Å; P310-I312 VanDerWaalsContact C-N 3.29Å; P310-I312 PolarHBondContact O-N 3.37Å; I312-Q314 VanDerWaalsContact C-N 3.26Å; I312-Q314 PolarHBondContact O-N 3.4Å; I312-C315 WeakPolarHBondContact O-CB 3.28Å; I312-C315 PolarHBondContact O-N 3.21Å; I312-C315 VanDerWaalsContact O-N 3.11Å; I312-C316 PolarHBondContact O-N 3.32Å; I312-C316 VanDerWaalsContact O-N 3.13Å |
| 313 | R | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.1 | -39.1 | 175.8 | -71.9 | -172.8 | -89.5 | 139.2 | -3 | 112.2 | F305 D307 V308 S309 P310 V317 D344 I349 | F305-R313 VanDerWaalsContact O-CD 3.32Å; F305-R313 WeakPolarHBondContact O-CD 3.28Å; F305-R313 WeakPolarHBondContact O-CG 3.48Å; D307-R313 HydrophobicContact CB-CG 4.36Å; D307-R313 WeakPolarHBondContact O-CD 3.39Å; D307-R313 PolarHBondContact O-NE 3.18Å; V308-R313 PolarHBondContact O-NH2 3.18Å; S309-R313 PolarHBondContact O-N 2.94Å; P310-R313 PolarHBondContact O-N 3.06Å; R313-V317 WeakPolarHBondContact O-CB 3.42Å; R313-V317 VanDerWaalsContact O-CG2 3.29Å; R313-V317 WeakPolarHBondContact O-CG2 3.22Å; R313-V317 PolarHBondContact O-N 2.98Å; R313-V317 VanDerWaalsContact O-N 3.09Å; R313-D344 IonicContact CZ-OD2 3.6Å; R313-D344 IonicContact NH1-OD1 3.52Å; R313-D344 PolarHBondContact NH1-OD1 2.74Å; R313-D344 IonicContact NH1-OD2 3.69Å; R313-D344 PolarHBondContact NH1-OD2 2.79Å; R313-I349 HydrophobicContact CB-CD1 3.84Å; R313-I349 HydrophobicContact CB-CG1 4.44Å |
| 314 | Q | 97.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -36.7 | 178.6 | -158.3 | 179.6 | 4.1 | 0 | 0 | 112 | P310 P311 I312 R318 I349 E352 | P310-Q314 PolarHBondContact O-N 2.93Å; P311-Q314 PolarHBondContact O-N 2.87Å; I312-Q314 VanDerWaalsContact C-N 3.26Å; I312-Q314 PolarHBondContact O-N 3.4Å; Q314-R318 VanDerWaalsContact CD-NH2 3.26Å; Q314-R318 VanDerWaalsContact O-CB 3.27Å; Q314-R318 WeakPolarHBondContact O-CB 3.27Å; Q314-R318 PolarHBondContact O-N 3.17Å; Q314-I349 HydrophobicContact CB-CD1 3.6Å; Q314-I349 HydrophobicContact CG-CD1 4.19Å; Q314-E352 HydrophobicContact CG-CB 3.94Å; Q314-E352 HydrophobicContact CG-CG 3.83Å; Q314-E352 PolarHBondContact NE2-OE2 2.88Å |
| 315 | C | 97 | Very high | 96.7 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -52.1 | 176 | -161.5 | 0 | 0 | 0 | 0 | 111.2 | F273 V276 P311 I312 V317 R318 I319 | F273-C315 HydrophobicContact CE2-CB 4.17Å; V276-C315 HydrophobicContact CG1-CB 4.3Å; P311-C315 PolarHBondContact O-N 3.11Å; I312-C315 WeakPolarHBondContact O-CB 3.28Å; I312-C315 PolarHBondContact O-N 3.21Å; I312-C315 VanDerWaalsContact O-N 3.11Å; C315-V317 PolarHBondContact O-N 3.29Å; C315-R318 PolarHBondContact O-N 2.74Å; C315-R318 VanDerWaalsContact O-N 3.16Å; C315-I319 PolarHBondContact O-N 2.87Å |
| 316 | C | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.9 | -47 | 175.9 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | F305 I312 I319 S320 | F305-C316 HydrophobicContact CD1-CB 3.9Å; F305-C316 HydrophobicContact CD2-CB 3.74Å; F305-C316 HydrophobicContact CE1-CB 3.84Å; F305-C316 HydrophobicContact CE2-CB 3.68Å; F305-C316 HydrophobicContact CG-CB 3.87Å; F305-C316 HydrophobicContact CZ-CB 3.74Å; F305-C316 WeakPolarHBondContact CZ-O 3.44Å; I312-C316 PolarHBondContact O-N 3.32Å; I312-C316 VanDerWaalsContact O-N 3.13Å; C316-I319 WeakPolarHBondContact O-CG2 3.42Å; C316-S320 PolarHBondContact O-N 3.18Å; C316-S320 PolarHBondContact O-OG 3.11Å |
| 317 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.2 | 169.2 | 0 | 0 | 0 | 0 | 112 | F305 R313 C315 S320 L338 R341 I349 E352 V353 A356 | F305-V317 HydrophobicContact CD1-CG2 4.03Å; F305-V317 HydrophobicContact CE1-CG2 4.16Å; R313-V317 WeakPolarHBondContact O-CB 3.42Å; R313-V317 VanDerWaalsContact O-CG2 3.29Å; R313-V317 WeakPolarHBondContact O-CG2 3.22Å; R313-V317 PolarHBondContact O-N 2.98Å; R313-V317 VanDerWaalsContact O-N 3.09Å; C315-V317 PolarHBondContact O-N 3.29Å; V317-S320 WeakPolarHBondContact O-CB 3.32Å; V317-L338 HydrophobicContact CB-CD2 4.33Å; V317-L338 HydrophobicContact CG1-CD2 3.87Å; V317-L338 HydrophobicContact CG2-CD2 4.26Å; V317-R341 HydrophobicContact CG2-CB 4.14Å; V317-R341 HydrophobicContact CG2-CG 4.14Å; V317-I349 HydrophobicContact CG2-CG2 4.42Å; V317-E352 HydrophobicContact CB-CG 4.33Å; V317-E352 HydrophobicContact CG1-CB 3.97Å; V317-E352 HydrophobicContact CG1-CG 3.75Å; V317-V353 HydrophobicContact CB-CG2 4.41Å; V317-V353 HydrophobicContact CG1-CB 4.12Å; V317-V353 HydrophobicContact CG1-CG2 3.49Å; V317-V353 VanDerWaalsContact CG1-CG2 3.49Å; V317-V353 HydrophobicContact CG2-CG2 3.93Å; V317-A356 HydrophobicContact CG1-CB 4.47Å |
| 318 | R | 96.6 | Very high | 95.8 | Very high | 111 Ų | 111 | 39.4 Ų | 39.4 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.6 | -50.2 | -178.9 | -174.6 | 176.4 | -61.5 | 140.5 | 4.4 | 111.8 | Q314 C315 S320 S321 E352 | Q314-R318 VanDerWaalsContact CD-NH2 3.26Å; Q314-R318 VanDerWaalsContact O-CB 3.27Å; Q314-R318 WeakPolarHBondContact O-CB 3.27Å; Q314-R318 PolarHBondContact O-N 3.17Å; C315-R318 PolarHBondContact O-N 2.74Å; C315-R318 VanDerWaalsContact O-N 3.16Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 3.36Å; R318-S321 PolarHBondContact O-N 3.3Å; R318-S321 PolarHBondContact O-OG 3.13Å; R318-E352 HydrophobicContact CB-CG 4.11Å; R318-E352 WeakPolarHBondContact CG-OE1 3.41Å; R318-E352 IonicContact CZ-OE2 2.77Å; R318-E352 IonicContact NE-OE1 3.58Å; R318-E352 PolarHBondContact NE-OE1 2.62Å; R318-E352 IonicContact NE-OE2 3.67Å; R318-E352 PolarHBondContact NE-OE2 2.89Å; R318-E352 VanDerWaalsContact NE-OE2 3.1Å; R318-E352 IonicContact NH2-OE2 2.78Å; R318-E352 PolarHBondContact NH2-OE2 3.19Å |
| 319 | I | 96.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -29.5 | -176.8 | -160.6 | 73.6 | 0 | 0 | 0 | 112.4 | V284 F301 C315 C316 S321 H322 L323 | V284-I319 HydrophobicContact CG2-CD1 3.83Å; V284-I319 HydrophobicContact CG2-CG1 4.26Å; F301-I319 HydrophobicContact CZ-CG2 3.97Å; C315-I319 PolarHBondContact O-N 2.87Å; C316-I319 WeakPolarHBondContact O-CG2 3.42Å; I319-S321 PolarHBondContact O-N 3.38Å; I319-H322 PolarHBondContact O-N 2.96Å; I319-L323 HydrophobicContact CG1-CD1 4.16Å; I319-L323 HydrophobicContact CG1-CG 4.1Å; I319-L323 HydrophobicContact CG2-CD1 4.09Å; I319-L323 PolarHBondContact O-N 3.3Å; I319-L323 VanDerWaalsContact O-N 3.1Å |
| 320 | S | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -47.5 | -39.1 | 175.8 | -60 | 0 | 0 | 0 | 0 | 113 | F305 C316 V317 R318 H322 L323 M324 | F305-S320 WeakPolarHBondContact CE1-OG 3.48Å; F305-S320 VanDerWaalsContact CZ-OG 3.28Å; F305-S320 WeakPolarHBondContact CZ-OG 3.33Å; C316-S320 PolarHBondContact O-N 3.18Å; C316-S320 PolarHBondContact O-OG 3.11Å; V317-S320 WeakPolarHBondContact O-CB 3.32Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 3.36Å; S320-H322 VanDerWaalsContact C-N 3.28Å; S320-H322 PolarHBondContact O-N 3.38Å; S320-L323 PolarHBondContact O-N 2.85Å; S320-M324 WeakPolarHBondContact O-CB 3.33Å; S320-M324 VanDerWaalsContact O-CG 3.27Å; S320-M324 WeakPolarHBondContact O-CG 3.48Å; S320-M324 PolarHBondContact O-N 2.75Å |
| 321 | S | 94.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -21.8 | -179.9 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | R318 I319 L325 A356 R359 | R318-S321 PolarHBondContact O-N 3.3Å; R318-S321 PolarHBondContact O-OG 3.13Å; I319-S321 PolarHBondContact O-N 3.38Å; S321-L325 WeakPolarHBondContact O-CD1 3.2Å; S321-A356 VanDerWaalsContact CB-O 3.27Å; S321-A356 WeakPolarHBondContact CB-O 3.34Å; S321-R359 WeakPolarHBondContact OG-CD 3.44Å |
| 322 | H | 94.7 | Very high | 95.2 | Very high | 92 Ų | 92 | 38 Ų | 38 | 43% | 0.426 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -87.2 | -50.4 | 170.9 | -171.4 | 104.9 | 0 | 0 | 0 | 110.3 | I319 S320 M324 L325 S326 | I319-H322 PolarHBondContact O-N 2.96Å; S320-H322 VanDerWaalsContact C-N 3.28Å; S320-H322 PolarHBondContact O-N 3.38Å; H322-M324 VanDerWaalsContact C-N 3.31Å; H322-M324 PolarHBondContact O-N 3.23Å; H322-L325 WeakPolarHBondContact O-CA 3.49Å; H322-L325 WeakPolarHBondContact O-CB 3.5Å; H322-L325 PolarHBondContact O-N 3.1Å; H322-S326 PolarHBondContact CD2-OG 3.21Å; H322-S326 PolarHBondContact O-N 3.44Å; H322-S326 PolarHBondContact O-OG 2.93Å |
| 323 | L | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | -176.7 | -61.7 | 178.3 | 0 | 0 | 0 | 112.8 | L283 V284 I319 S320 L325 S326 R327 L334 | L283-L323 HydrophobicContact CB-CD1 4.09Å; L283-L323 HydrophobicContact CB-CD2 3.75Å; L283-L323 HydrophobicContact CD1-CD1 4.07Å; L283-L323 WeakPolarHBondContact O-CD2 3.43Å; V284-L323 HydrophobicContact CG2-CD2 3.79Å; I319-L323 HydrophobicContact CG1-CD1 4.16Å; I319-L323 HydrophobicContact CG1-CG 4.1Å; I319-L323 HydrophobicContact CG2-CD1 4.09Å; I319-L323 PolarHBondContact O-N 3.3Å; I319-L323 VanDerWaalsContact O-N 3.1Å; S320-L323 PolarHBondContact O-N 2.85Å; L323-L325 PolarHBondContact O-N 3.07Å; L323-S326 PolarHBondContact O-N 2.95Å; L323-R327 CarbonylContact O-C 3.4Å; L323-R327 WeakPolarHBondContact O-CA 3.31Å; L323-R327 PolarHBondContact O-N 3.16Å; L323-L334 HydrophobicContact CB-CD1 3.55Å; L323-L334 HydrophobicContact CD1-CD1 4.33Å |
| 324 | M | 95 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.2 | -15.9 | 175.1 | -70.4 | 178.3 | 62.3 | 0 | 0 | 114.2 | S320 H322 A331 L334 R335 L338 I360 L368 | S320-M324 WeakPolarHBondContact O-CB 3.33Å; S320-M324 VanDerWaalsContact O-CG 3.27Å; S320-M324 WeakPolarHBondContact O-CG 3.48Å; S320-M324 PolarHBondContact O-N 2.75Å; H322-M324 VanDerWaalsContact C-N 3.31Å; H322-M324 PolarHBondContact O-N 3.23Å; M324-A331 HydrophobicContact CB-CB 4.42Å; M324-A331 HydrophobicContact CG-CB 4.23Å; M324-L334 HydrophobicContact CG-CB 3.67Å; M324-L334 HydrophobicContact CG-CD1 3.76Å; M324-L334 HydrophobicContact CG-CG 4.38Å; M324-L334 HydrophobicContact SD-CB 3.92Å; M324-R335 HydrophobicContact CE-CG 3.6Å; M324-L338 HydrophobicContact SD-CD1 3.72Å; M324-I360 HydrophobicContact CB-CD1 4.14Å; M324-I360 HydrophobicContact CE-CD1 3.91Å; M324-I360 HydrophobicContact SD-CD1 3.8Å; M324-L368 HydrophobicContact CB-CD1 4.35Å; M324-L368 HydrophobicContact CE-CB 4.17Å; M324-L368 VanDerWaalsContact O-CD1 3.23Å; M324-L368 WeakPolarHBondContact O-CD1 3.34Å |
| 325 | L | 93 | Very high | 95 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 32% | 0.319 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -99.6 | -33.9 | 176.8 | -66.8 | 173.7 | 0 | 0 | 0 | 112.6 | S321 H322 L323 I360 K363 S365 L368 | S321-L325 WeakPolarHBondContact O-CD1 3.2Å; H322-L325 WeakPolarHBondContact O-CA 3.49Å; H322-L325 WeakPolarHBondContact O-CB 3.5Å; H322-L325 PolarHBondContact O-N 3.1Å; L323-L325 PolarHBondContact O-N 3.07Å; L325-I360 HydrophobicContact CD2-CG2 4.28Å; L325-I360 HydrophobicContact CG-CG1 4.45Å; L325-K363 HydrophobicContact CD1-CB 3.87Å; L325-K363 HydrophobicContact CD1-CG 3.86Å; L325-K363 HydrophobicContact CD2-CB 4.44Å; L325-S365 WeakPolarHBondContact CD2-OG 3.38Å; L325-L368 HydrophobicContact CD2-CD1 3.79Å |
| 326 | S | 92 | Very high | 95 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 33% | 0.329 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -93.6 | -27.7 | -178.9 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | H322 L323 | H322-S326 PolarHBondContact CD2-OG 3.21Å; H322-S326 PolarHBondContact O-N 3.44Å; H322-S326 PolarHBondContact O-OG 2.93Å; L323-S326 PolarHBondContact O-N 2.95Å |
| 327 | R | 92 | Very high | 95 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | trans | -127.9 | 75.3 | -178.3 | -61.5 | -57 | -128 | 133.3 | -11.4 | 110.8 | P286 L288 N289 L323 E329 L330 | P286-R327 PolarHBondContact O-NH2 2.65Å; L288-R327 PolarHBondContact O-NH2 2.75Å; N289-R327 PolarHBondContact OD1-NH1 3.25Å; N289-R327 PolarHBondContact OD1-NH2 2.87Å; L323-R327 CarbonylContact O-C 3.4Å; L323-R327 WeakPolarHBondContact O-CA 3.31Å; L323-R327 PolarHBondContact O-N 3.16Å; R327-E329 VanDerWaalsContact C-OE2 3.3Å; R327-E329 WeakPolarHBondContact CB-OE1 3.37Å; R327-E329 WeakPolarHBondContact CD-OE1 3.44Å; R327-E329 IonicContact CZ-OE1 2.71Å; R327-E329 IonicContact NE-OE1 2.8Å; R327-E329 IonicContact NH1-OE1 3.25Å; R327-E329 PolarHBondContact NH1-OE1 2.75Å; R327-E329 PolarHBondContact O-N 2.73Å; R327-E329 VanDerWaalsContact O-N 3.11Å; R327-L330 HydrophobicContact CB-CB 4.4Å; R327-L330 HydrophobicContact CB-CD1 3.87Å; R327-L330 HydrophobicContact CB-CG 4Å; R327-L330 HydrophobicContact CG-CD1 4.3Å; R327-L330 PolarHBondContact O-N 3.33Å | ||
| 328 | P | 90.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -55.3 | -29.6 | -174.9 | -26.5 | 35.9 | 0 | 0 | 0 | 114.8 | L330 A331 | P328-L330 VanDerWaalsContact C-N 3.29Å; P328-L330 PolarHBondContact O-N 3.36Å; P328-A331 WeakPolarHBondContact O-CB 3.15Å; P328-A331 PolarHBondContact O-N 2.86Å; P328-A331 VanDerWaalsContact O-N 3.12Å |
| 329 | E | 92.4 | Very high | 94.9 | Very high | 114 Ų | 114 | 39.7 Ų | 39.7 | 53% | 0.533 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -63.1 | -28.8 | 176.2 | 65 | -75.1 | 176.4 | 0 | 0 | 113.7 | R327 A331 | R327-E329 VanDerWaalsContact C-OE2 3.3Å; R327-E329 WeakPolarHBondContact CB-OE1 3.37Å; R327-E329 WeakPolarHBondContact CD-OE1 3.44Å; R327-E329 IonicContact CZ-OE1 2.71Å; R327-E329 IonicContact NE-OE1 2.8Å; R327-E329 IonicContact NH1-OE1 3.25Å; R327-E329 PolarHBondContact NH1-OE1 2.75Å; R327-E329 PolarHBondContact O-N 2.73Å; R327-E329 VanDerWaalsContact O-N 3.11Å; E329-A331 VanDerWaalsContact C-N 3.3Å |
| 330 | L | 94.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -83.9 | -6.4 | 175.3 | -56.2 | -177 | 0 | 0 | 0 | 112.6 | L283 A291 W298 R327 P328 D332 D333 L334 | L283-L330 HydrophobicContact CD2-CD1 4.21Å; A291-L330 HydrophobicContact CB-CD1 4.36Å; A291-L330 HydrophobicContact CB-CD2 3.82Å; W298-L330 HydrophobicContact CH2-CB 4.06Å; W298-L330 HydrophobicContact CH2-CD1 4.02Å; W298-L330 HydrophobicContact CH2-CD2 4.27Å; W298-L330 HydrophobicContact CH2-CG 4.35Å; W298-L330 HydrophobicContact CZ2-CB 4.06Å; W298-L330 HydrophobicContact CZ2-CD2 3.96Å; W298-L330 HydrophobicContact CZ2-CG 4.4Å; W298-L330 HydrophobicContact CZ3-CD1 4.19Å; R327-L330 HydrophobicContact CB-CB 4.4Å; R327-L330 HydrophobicContact CB-CD1 3.87Å; R327-L330 HydrophobicContact CB-CG 4Å; R327-L330 HydrophobicContact CG-CD1 4.3Å; R327-L330 PolarHBondContact O-N 3.33Å; P328-L330 VanDerWaalsContact C-N 3.29Å; P328-L330 PolarHBondContact O-N 3.36Å; L330-D332 PolarHBondContact O-N 3.04Å; L330-D333 PolarHBondContact O-N 2.81Å; L330-L334 HydrophobicContact CB-CD1 4.13Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.4Å |
| 331 | A | 94.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.3 | -28.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M324 P328 E329 R335 L368 | M324-A331 HydrophobicContact CB-CB 4.42Å; M324-A331 HydrophobicContact CG-CB 4.23Å; P328-A331 WeakPolarHBondContact O-CB 3.15Å; P328-A331 PolarHBondContact O-N 2.86Å; P328-A331 VanDerWaalsContact O-N 3.12Å; E329-A331 VanDerWaalsContact C-N 3.3Å; A331-R335 WeakPolarHBondContact O-CB 3.48Å; A331-R335 WeakPolarHBondContact O-CG 3.47Å; A331-R335 PolarHBondContact O-N 2.9Å; A331-L368 HydrophobicContact CB-CD2 4.15Å |
| 332 | D | 95.1 | Very high | 95 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70.8 | -42.8 | 178.1 | -87.6 | -52 | 0 | 0 | 0 | 113.2 | L330 L334 R335 N336 | L330-D332 PolarHBondContact O-N 3.04Å; D332-L334 VanDerWaalsContact C-N 3.33Å; D332-L334 PolarHBondContact O-N 3.28Å; D332-R335 WeakPolarHBondContact O-CB 3.46Å; D332-R335 PolarHBondContact O-N 2.94Å; D332-R335 IonicContact OD1-CZ 3.65Å; D332-R335 VanDerWaalsContact OD1-CZ 3.24Å; D332-R335 IonicContact OD1-NE 3.6Å; D332-R335 PolarHBondContact OD1-NE 2.91Å; D332-R335 IonicContact OD1-NH2 2.62Å; D332-R335 PolarHBondContact OD1-NH2 2.97Å; D332-R335 IonicContact OD2-CZ 3.38Å; D332-R335 IonicContact OD2-NH2 2.7Å; D332-R335 PolarHBondContact OD2-NH2 3.45Å; D332-N336 VanDerWaalsContact O-CG 3.31Å; D332-N336 PolarHBondContact O-N 3.49Å; D332-N336 PolarHBondContact O-ND2 3.32Å |
| 333 | D | 96.4 | Very high | 95 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.2 | -80.1 | -11.8 | 0 | 0 | 0 | 111.1 | W298 L302 L330 N336 A337 | W298-D333 HydrophobicContact CZ2-CB 3.87Å; W298-D333 PolarHBondContact NE1-OD2 2.92Å; L302-D333 HydrophobicContact CD1-CB 3.82Å; L302-D333 HydrophobicContact CD2-CB 4.07Å; L330-D333 PolarHBondContact O-N 2.81Å; D333-N336 PolarHBondContact O-N 3.3Å; D333-A337 WeakPolarHBondContact O-CB 3.48Å; D333-A337 PolarHBondContact O-N 3.48Å |
| 334 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 176 | -66.1 | 172.5 | 0 | 0 | 0 | 112.5 | W298 F305 L323 M324 L330 D332 A337 L338 | W298-L334 HydrophobicContact CH2-CD1 4.41Å; W298-L334 HydrophobicContact CH2-CD2 3.93Å; W298-L334 HydrophobicContact CH2-CG 4.05Å; W298-L334 HydrophobicContact CZ2-CG 4.49Å; F305-L334 HydrophobicContact CE2-CD2 4.4Å; F305-L334 HydrophobicContact CZ-CD2 3.91Å; L323-L334 HydrophobicContact CB-CD1 3.55Å; L323-L334 HydrophobicContact CD1-CD1 4.33Å; M324-L334 HydrophobicContact CG-CB 3.67Å; M324-L334 HydrophobicContact CG-CD1 3.76Å; M324-L334 HydrophobicContact CG-CG 4.38Å; M324-L334 HydrophobicContact SD-CB 3.92Å; L330-L334 HydrophobicContact CB-CD1 4.13Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.4Å; D332-L334 VanDerWaalsContact C-N 3.33Å; D332-L334 PolarHBondContact O-N 3.28Å; L334-A337 PolarHBondContact O-N 3.19Å; L334-L338 WeakPolarHBondContact O-CB 3.27Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.42Å; L334-L338 PolarHBondContact O-N 3.34Å |
| 335 | R | 96.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 171 | -80.8 | -174.8 | -81.1 | -90 | 7.7 | 111.1 | M324 A331 D332 A337 L338 E339 L368 T370 L373 | M324-R335 HydrophobicContact CE-CG 3.6Å; A331-R335 WeakPolarHBondContact O-CB 3.48Å; A331-R335 WeakPolarHBondContact O-CG 3.47Å; A331-R335 PolarHBondContact O-N 2.9Å; D332-R335 WeakPolarHBondContact O-CB 3.46Å; D332-R335 PolarHBondContact O-N 2.94Å; D332-R335 IonicContact OD1-CZ 3.65Å; D332-R335 VanDerWaalsContact OD1-CZ 3.24Å; D332-R335 IonicContact OD1-NE 3.6Å; D332-R335 PolarHBondContact OD1-NE 2.91Å; D332-R335 IonicContact OD1-NH2 2.62Å; D332-R335 PolarHBondContact OD1-NH2 2.97Å; D332-R335 IonicContact OD2-CZ 3.38Å; D332-R335 IonicContact OD2-NH2 2.7Å; D332-R335 PolarHBondContact OD2-NH2 3.45Å; R335-A337 PolarHBondContact O-N 2.73Å; R335-L338 PolarHBondContact O-N 3.29Å; R335-E339 WeakPolarHBondContact O-CB 3.31Å; R335-E339 PolarHBondContact O-N 2.96Å; R335-L368 VanDerWaalsContact NH1-CD2 3.31Å; R335-T370 VanDerWaalsContact CD-CG2 3.48Å; R335-L373 HydrophobicContact CB-CD1 4.17Å; R335-L373 HydrophobicContact CG-CD1 3.79Å |
| 336 | N | 96.1 | Very high | 95.3 | Very high | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 179.1 | -68.6 | -45.6 | 0 | 0 | 0 | 111.6 | D332 D333 E339 S340 | D332-N336 VanDerWaalsContact O-CG 3.31Å; D332-N336 PolarHBondContact O-N 3.49Å; D332-N336 PolarHBondContact O-ND2 3.32Å; D333-N336 PolarHBondContact O-N 3.3Å; N336-E339 PolarHBondContact O-N 3.5Å; N336-S340 PolarHBondContact O-N 3.28Å |
| 337 | A | 97 | Very high | 95.6 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L302 F305 D333 L334 R335 S340 R341 | L302-A337 HydrophobicContact CD2-CB 4.48Å; F305-A337 HydrophobicContact CD1-CB 3.71Å; F305-A337 HydrophobicContact CD2-CB 4.04Å; F305-A337 HydrophobicContact CE1-CB 3.72Å; F305-A337 HydrophobicContact CE2-CB 4.05Å; F305-A337 HydrophobicContact CG-CB 3.86Å; F305-A337 HydrophobicContact CZ-CB 3.89Å; D333-A337 WeakPolarHBondContact O-CB 3.48Å; D333-A337 PolarHBondContact O-N 3.48Å; L334-A337 PolarHBondContact O-N 3.19Å; R335-A337 PolarHBondContact O-N 2.73Å; A337-S340 WeakPolarHBondContact O-CB 3.26Å; A337-S340 PolarHBondContact O-N 3.31Å; A337-S340 PolarHBondContact O-OG 2.88Å; A337-R341 PolarHBondContact O-N 3.16Å |
| 338 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 175.5 | -70.7 | 175.9 | 0 | 0 | 0 | 112.5 | V317 M324 L334 R335 S340 R341 S342 V353 L357 L373 | V317-L338 HydrophobicContact CB-CD2 4.33Å; V317-L338 HydrophobicContact CG1-CD2 3.87Å; V317-L338 HydrophobicContact CG2-CD2 4.26Å; M324-L338 HydrophobicContact SD-CD1 3.72Å; L334-L338 WeakPolarHBondContact O-CB 3.27Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.42Å; L334-L338 PolarHBondContact O-N 3.34Å; R335-L338 PolarHBondContact O-N 3.29Å; L338-S340 VanDerWaalsContact C-N 3.29Å; L338-S340 PolarHBondContact O-N 3.16Å; L338-R341 PolarHBondContact O-N 3.47Å; L338-R341 VanDerWaalsContact O-N 3.1Å; L338-S342 PolarHBondContact O-N 2.63Å; L338-V353 HydrophobicContact CD2-CG1 4.42Å; L338-V353 HydrophobicContact CD2-CG2 4.27Å; L338-L357 HydrophobicContact CD1-CD2 4.09Å; L338-L373 HydrophobicContact CB-CD2 4.22Å |
| 339 | E | 96.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 172.9 | -172.7 | 178.5 | 171.3 | 0 | 0 | 110.1 | R335 N336 R341 S342 R372 L373 | R335-E339 WeakPolarHBondContact O-CB 3.31Å; R335-E339 PolarHBondContact O-N 2.96Å; N336-E339 PolarHBondContact O-N 3.5Å; E339-R341 PolarHBondContact O-N 2.73Å; E339-S342 WeakPolarHBondContact O-CB 3.29Å; E339-S342 PolarHBondContact O-N 3.26Å; E339-S342 PolarHBondContact O-OG 3.45Å; E339-R372 WeakPolarHBondContact OE2-CB 3.42Å; E339-R372 WeakPolarHBondContact OE2-CD 3.49Å; E339-R372 IonicContact OE2-NH1 2.75Å; E339-L373 HydrophobicContact CB-CD2 4.03Å |
| 340 | S | 95.2 | Very high | 96.5 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -21.9 | 177.7 | 87 | 0 | 0 | 0 | 0 | 114.6 | H306 N336 A337 L338 | H306-S340 PolarHBondContact CE1-OG 3.45Å; N336-S340 PolarHBondContact O-N 3.28Å; A337-S340 WeakPolarHBondContact O-CB 3.26Å; A337-S340 PolarHBondContact O-N 3.31Å; A337-S340 PolarHBondContact O-OG 2.88Å; L338-S340 VanDerWaalsContact C-N 3.29Å; L338-S340 PolarHBondContact O-N 3.16Å |
| 341 | R | 97 | Very high | 96.7 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 13% | 0.125 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -100.2 | -11.1 | 178.8 | -69.8 | -54.6 | 83.5 | 119.7 | 6.2 | 115.1 | F305 H306 V317 A337 L338 E339 G343 D344 I349 V353 | F305-R341 HydrophobicContact CB-CG 4.41Å; F305-R341 HydrophobicContact CD1-CG 4.3Å; F305-R341 WeakPolarHBondContact O-CD 3.41Å; F305-R341 PolarHBondContact O-NH1 3.15Å; H306-R341 PolarHBondContact CD2-NH1 2.87Å; H306-R341 PolarHBondContact CD2-NH2 3.06Å; H306-R341 PolarHBondContact CE1-NH2 2.81Å; H306-R341 VanDerWaalsContact CG-NH1 3.26Å; H306-R341 PolarHBondContact ND1-NH1 3Å; H306-R341 PolarHBondContact NE2-NH1 2.93Å; H306-R341 PolarHBondContact NE2-NH2 3.48Å; V317-R341 HydrophobicContact CG2-CB 4.14Å; V317-R341 HydrophobicContact CG2-CG 4.14Å; A337-R341 PolarHBondContact O-N 3.16Å; L338-R341 PolarHBondContact O-N 3.47Å; L338-R341 VanDerWaalsContact O-N 3.1Å; E339-R341 PolarHBondContact O-N 2.73Å; R341-G343 PolarHBondContact O-N 3.29Å; R341-G343 VanDerWaalsContact O-N 3.08Å; R341-D344 VanDerWaalsContact CD-OD2 3.27Å; R341-D344 WeakPolarHBondContact CD-OD2 3.28Å; R341-D344 IonicContact NE-OD2 3.94Å; R341-D344 WeakPolarHBondContact O-CB 3.48Å; R341-D344 PolarHBondContact O-N 3.41Å; R341-D344 VanDerWaalsContact O-N 3.15Å; R341-I349 HydrophobicContact CB-CG2 4.25Å; R341-I349 HydrophobicContact CG-CG2 4.49Å; R341-V353 HydrophobicContact CB-CG2 3.65Å |
| 342 | S | 96 | Very high | 96.9 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.2 | 169.7 | 72.4 | 0 | 0 | 0 | 0 | 114 | L338 E339 R380 | L338-S342 PolarHBondContact O-N 2.63Å; E339-S342 WeakPolarHBondContact O-CB 3.29Å; E339-S342 PolarHBondContact O-N 3.26Å; E339-S342 PolarHBondContact O-OG 3.45Å; S342-R380 WeakPolarHBondContact O-CD 3.49Å; S342-R380 PolarHBondContact O-NE 2.94Å |
| 343 | G | 94.5 | Very high | 97 | Very high | 49 Ų | 49 | 35.6 Ų | 35.6 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 13.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | R341 | R341-G343 PolarHBondContact O-N 3.29Å; R341-G343 VanDerWaalsContact O-N 3.08Å |
| 344 | D | 97.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | trans | -55.3 | 153.4 | -174.1 | -161 | -69.1 | 0 | 0 | 0 | 113.2 | R313 R341 D346 I349 R350 | R313-D344 IonicContact CZ-OD2 3.6Å; R313-D344 IonicContact NH1-OD1 3.52Å; R313-D344 PolarHBondContact NH1-OD1 2.74Å; R313-D344 IonicContact NH1-OD2 3.69Å; R313-D344 PolarHBondContact NH1-OD2 2.79Å; R341-D344 VanDerWaalsContact CD-OD2 3.27Å; R341-D344 WeakPolarHBondContact CD-OD2 3.28Å; R341-D344 IonicContact NE-OD2 3.94Å; R341-D344 WeakPolarHBondContact O-CB 3.48Å; R341-D344 PolarHBondContact O-N 3.41Å; R341-D344 VanDerWaalsContact O-N 3.15Å; D344-D346 VanDerWaalsContact C-N 3.33Å; D344-D346 PolarHBondContact OD1-N 3.22Å; D344-I349 HydrophobicContact CB-CB 3.96Å; D344-I349 HydrophobicContact CB-CG2 3.77Å; D344-R350 HydrophobicContact CB-CG 4.14Å; D344-R350 WeakPolarHBondContact O-CD 3.45Å; D344-R350 PolarHBondContact O-NE 2.91Å | ||
| 345 | T | 96.3 | Very high | 97.1 | Very high | 128 Ų | 128 | 33.3 Ų | 33.3 | 79% | 0.785 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -65.4 | -39.4 | 175.5 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | R350 | T345-R350 PolarHBondContact O-NH2 2.99Š|
| 346 | D | 97.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -77.1 | 144.8 | -176.6 | -166.7 | -67.3 | 0 | 0 | 0 | 112.4 | D344 A348 I349 R350 | D344-D346 VanDerWaalsContact C-N 3.33Å; D344-D346 PolarHBondContact OD1-N 3.22Å; D346-A348 WeakPolarHBondContact OD1-CA 3.43Å; D346-A348 WeakPolarHBondContact OD1-CB 3.47Å; D346-A348 PolarHBondContact OD1-N 3.37Å; D346-I349 HydrophobicContact CB-CB 4.33Å; D346-I349 HydrophobicContact CB-CG1 3.79Å; D346-R350 VanDerWaalsContact C-NH2 3.33Å; D346-R350 PolarHBondContact O-N 3.09Å; D346-R350 PolarHBondContact O-NE 3.3Å; D346-R350 VanDerWaalsContact O-NE 3.15Å; D346-R350 PolarHBondContact O-NH2 2.93Å |
| 347 | E | 97.1 | Very high | 97.2 | Very high | 51 Ų | 51 | 28.1 Ų | 28.1 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.6 | -36 | -179.4 | -171.9 | -179.1 | 164.8 | 0 | 0 | 112.9 | I349 F351 K385 V388 | E347-I349 VanDerWaalsContact C-N 3.34Å; E347-F351 VanDerWaalsContact O-CB 3.26Å; E347-F351 WeakPolarHBondContact O-CB 3.47Å; E347-F351 PolarHBondContact O-N 2.78Å; E347-K385 VanDerWaalsContact CD-CG 3.5Å; E347-K385 HydrophobicContact CG-CB 4.12Å; E347-K385 HydrophobicContact CG-CG 4.1Å; E347-K385 WeakPolarHBondContact OE1-CB 3.38Å; E347-K385 WeakPolarHBondContact OE2-CD 3.36Å; E347-K385 WeakPolarHBondContact OE2-CE 3.41Å; E347-K385 VanDerWaalsContact OE2-CG 3.31Å; E347-K385 WeakPolarHBondContact OE2-CG 3.32Å; E347-K385 IonicContact OE2-NZ 2.72Å; E347-K385 PolarHBondContact OE2-NZ 2.77Å; E347-V388 HydrophobicContact CG-CG2 3.65Å |
| 348 | A | 97.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 28.2 Ų | 28.2 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.3 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D346 F351 E352 | D346-A348 WeakPolarHBondContact OD1-CA 3.43Å; D346-A348 WeakPolarHBondContact OD1-CB 3.47Å; D346-A348 PolarHBondContact OD1-N 3.37Å; A348-F351 PolarHBondContact O-N 2.52Å; A348-E352 WeakPolarHBondContact O-CB 3.26Å; A348-E352 PolarHBondContact O-N 2.89Å |
| 349 | I | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.4 | -50.4 | 176.2 | -51.9 | -57.8 | 0 | 0 | 0 | 110.9 | P310 R313 Q314 V317 R341 D344 D346 E347 F351 E352 V353 | P310-I349 VanDerWaalsContact O-CD1 3.31Å; P310-I349 WeakPolarHBondContact O-CD1 3.5Å; R313-I349 HydrophobicContact CB-CD1 3.84Å; R313-I349 HydrophobicContact CB-CG1 4.44Å; Q314-I349 HydrophobicContact CB-CD1 3.6Å; Q314-I349 HydrophobicContact CG-CD1 4.19Å; V317-I349 HydrophobicContact CG2-CG2 4.42Å; R341-I349 HydrophobicContact CB-CG2 4.25Å; R341-I349 HydrophobicContact CG-CG2 4.49Å; D344-I349 HydrophobicContact CB-CB 3.96Å; D344-I349 HydrophobicContact CB-CG2 3.77Å; D346-I349 HydrophobicContact CB-CB 4.33Å; D346-I349 HydrophobicContact CB-CG1 3.79Å; E347-I349 VanDerWaalsContact C-N 3.34Å; I349-F351 PolarHBondContact O-N 2.85Å; I349-E352 PolarHBondContact O-N 2.72Å; I349-V353 WeakPolarHBondContact O-CG2 3.36Å; I349-V353 PolarHBondContact O-N 3.26Å |
| 350 | R | 98.2 | Very high | 97 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -36.7 | 175.2 | -79 | -177.5 | -81.2 | 109.3 | 6.9 | 112.6 | D344 T345 D346 L354 D383 V388 | D344-R350 HydrophobicContact CB-CG 4.14Å; D344-R350 WeakPolarHBondContact O-CD 3.45Å; D344-R350 PolarHBondContact O-NE 2.91Å; T345-R350 PolarHBondContact O-NH2 2.99Å; D346-R350 VanDerWaalsContact C-NH2 3.33Å; D346-R350 PolarHBondContact O-N 3.09Å; D346-R350 PolarHBondContact O-NE 3.3Å; D346-R350 VanDerWaalsContact O-NE 3.15Å; D346-R350 PolarHBondContact O-NH2 2.93Å; R350-L354 WeakPolarHBondContact O-CD1 3.38Å; R350-L354 VanDerWaalsContact O-CG 3.3Å; R350-L354 WeakPolarHBondContact O-CG 3.19Å; R350-D383 IonicContact CZ-OD2 3.57Å; R350-D383 IonicContact NE-OD2 3.93Å; R350-D383 IonicContact NH1-OD1 3.8Å; R350-D383 PolarHBondContact NH1-OD1 3.48Å; R350-D383 IonicContact NH1-OD2 2.8Å; R350-D383 PolarHBondContact NH1-OD2 2.84Å; R350-V388 HydrophobicContact CB-CG1 4.09Å; R350-V388 HydrophobicContact CB-CG2 4.39Å |
| 351 | F | 98.4 | Very high | 97 | Very high | 41 Ų | 41 | 28.1 Ų | 28.1 | 18% | 0.18 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -49.5 | 174.5 | -177.7 | -95.2 | 0 | 0 | 0 | 112.1 | E347 A348 I349 V353 L354 S355 K387 V388 E391 | E347-F351 VanDerWaalsContact O-CB 3.26Å; E347-F351 WeakPolarHBondContact O-CB 3.47Å; E347-F351 PolarHBondContact O-N 2.78Å; A348-F351 PolarHBondContact O-N 2.52Å; I349-F351 PolarHBondContact O-N 2.85Å; F351-V353 VanDerWaalsContact C-N 3.3Å; F351-V353 PolarHBondContact O-N 3.1Å; F351-L354 WeakPolarHBondContact O-CB 3.17Å; F351-L354 PolarHBondContact O-N 3.39Å; F351-S355 WeakPolarHBondContact CE1-OG 3.39Å; F351-S355 PolarHBondContact O-N 2.86Å; F351-S355 PolarHBondContact O-OG 2.74Å; F351-K387 HydrophobicContact CD2-CD 4.14Å; F351-K387 HydrophobicContact CD2-CG 3.75Å; F351-K387 HydrophobicContact CE2-CD 4.28Å; F351-K387 HydrophobicContact CE2-CG 3.79Å; F351-V388 HydrophobicContact CB-CG2 4.35Å; F351-E391 HydrophobicContact CD2-CB 3.89Å; F351-E391 HydrophobicContact CD2-CG 4.06Å; F351-E391 HydrophobicContact CE2-CB 3.72Å; F351-E391 HydrophobicContact CE2-CG 3.74Å; F351-E391 HydrophobicContact CZ-CG 4.27Å |
| 352 | E | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -34.9 | -179.4 | -170.5 | 80.2 | -124.1 | 0 | 0 | 112.1 | Q314 V317 R318 A348 I349 L354 S355 A356 R359 | Q314-E352 HydrophobicContact CG-CB 3.94Å; Q314-E352 HydrophobicContact CG-CG 3.83Å; Q314-E352 PolarHBondContact NE2-OE2 2.88Å; V317-E352 HydrophobicContact CB-CG 4.33Å; V317-E352 HydrophobicContact CG1-CB 3.97Å; V317-E352 HydrophobicContact CG1-CG 3.75Å; R318-E352 HydrophobicContact CB-CG 4.11Å; R318-E352 WeakPolarHBondContact CG-OE1 3.41Å; R318-E352 IonicContact CZ-OE2 2.77Å; R318-E352 IonicContact NE-OE1 3.58Å; R318-E352 PolarHBondContact NE-OE1 2.62Å; R318-E352 IonicContact NE-OE2 3.67Å; R318-E352 PolarHBondContact NE-OE2 2.89Å; R318-E352 VanDerWaalsContact NE-OE2 3.1Å; R318-E352 IonicContact NH2-OE2 2.78Å; R318-E352 PolarHBondContact NH2-OE2 3.19Å; A348-E352 WeakPolarHBondContact O-CB 3.26Å; A348-E352 PolarHBondContact O-N 2.89Å; I349-E352 PolarHBondContact O-N 2.72Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.23Å; E352-S355 PolarHBondContact O-N 3.44Å; E352-A356 WeakPolarHBondContact O-CB 3.18Å; E352-A356 PolarHBondContact O-N 3.38Å; E352-R359 IonicContact OE1-CZ 3.37Å; E352-R359 VanDerWaalsContact OE1-CZ 3.3Å; E352-R359 IonicContact OE1-NH1 2.64Å; E352-R359 PolarHBondContact OE1-NH1 2.89Å; E352-R359 IonicContact OE1-NH2 2.87Å; E352-R359 PolarHBondContact OE1-NH2 3.05Å |
| 353 | V | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 172.8 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | V317 L338 R341 I349 F351 A356 L357 | V317-V353 HydrophobicContact CB-CG2 4.41Å; V317-V353 HydrophobicContact CG1-CB 4.12Å; V317-V353 HydrophobicContact CG1-CG2 3.49Å; V317-V353 VanDerWaalsContact CG1-CG2 3.49Å; V317-V353 HydrophobicContact CG2-CG2 3.93Å; L338-V353 HydrophobicContact CD2-CG1 4.42Å; L338-V353 HydrophobicContact CD2-CG2 4.27Å; R341-V353 HydrophobicContact CB-CG2 3.65Å; I349-V353 WeakPolarHBondContact O-CG2 3.36Å; I349-V353 PolarHBondContact O-N 3.26Å; F351-V353 VanDerWaalsContact C-N 3.3Å; F351-V353 PolarHBondContact O-N 3.1Å; V353-A356 PolarHBondContact O-N 3.18Å; V353-L357 HydrophobicContact CG1-CD1 4.16Å; V353-L357 VanDerWaalsContact O-CG 3.3Å; V353-L357 WeakPolarHBondContact O-CG 3.47Å; V353-L357 PolarHBondContact O-N 2.8Å |
| 354 | L | 98.4 | Very high | 96 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | -179.9 | -63.2 | 167.9 | 0 | 0 | 0 | 111.6 | R350 F351 E352 A356 L357 L358 V377 R380 V388 E391 A392 | R350-L354 WeakPolarHBondContact O-CD1 3.38Å; R350-L354 VanDerWaalsContact O-CG 3.3Å; R350-L354 WeakPolarHBondContact O-CG 3.19Å; F351-L354 WeakPolarHBondContact O-CB 3.17Å; F351-L354 PolarHBondContact O-N 3.39Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.23Å; L354-A356 VanDerWaalsContact C-N 3.34Å; L354-A356 PolarHBondContact O-N 3.14Å; L354-L357 PolarHBondContact O-N 3.22Å; L354-L358 WeakPolarHBondContact O-CB 3.38Å; L354-L358 PolarHBondContact O-N 2.79Å; L354-V377 HydrophobicContact CD2-CB 4.26Å; L354-V377 HydrophobicContact CD2-CG1 3.95Å; L354-V377 HydrophobicContact CD2-CG2 3.91Å; L354-R380 HydrophobicContact CD1-CB 4.01Å; L354-R380 HydrophobicContact CD1-CG 4.22Å; L354-R380 HydrophobicContact CD2-CB 4.14Å; L354-R380 HydrophobicContact CD2-CG 4.23Å; L354-V388 HydrophobicContact CD1-CG1 3.62Å; L354-V388 WeakPolarHBondContact CD1-O 3.48Å; L354-E391 HydrophobicContact CB-CB 4.02Å; L354-E391 HydrophobicContact CB-CG 3.59Å; L354-E391 HydrophobicContact CD1-CB 4.08Å; L354-A392 HydrophobicContact CD1-CB 3.85Å; L354-A392 HydrophobicContact CD2-CB 3.96Å |
| 355 | S | 97.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -35.7 | 174.2 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | F351 E352 L358 R359 E391 | F351-S355 WeakPolarHBondContact CE1-OG 3.39Å; F351-S355 PolarHBondContact O-N 2.86Å; F351-S355 PolarHBondContact O-OG 2.74Å; E352-S355 PolarHBondContact O-N 3.44Å; S355-L358 PolarHBondContact O-N 3.18Å; S355-R359 VanDerWaalsContact O-CG 3.27Å; S355-R359 WeakPolarHBondContact O-CG 3.21Å; S355-R359 PolarHBondContact O-N 3.16Å; S355-E391 WeakPolarHBondContact CB-OE1 3.3Å; S355-E391 PolarHBondContact OG-OE1 3.27Å |
| 356 | A | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V317 S321 E352 V353 L354 L358 R359 I360 | V317-A356 HydrophobicContact CG1-CB 4.47Å; S321-A356 VanDerWaalsContact CB-O 3.27Å; S321-A356 WeakPolarHBondContact CB-O 3.34Å; E352-A356 WeakPolarHBondContact O-CB 3.18Å; E352-A356 PolarHBondContact O-N 3.38Å; V353-A356 PolarHBondContact O-N 3.18Å; L354-A356 VanDerWaalsContact C-N 3.34Å; L354-A356 PolarHBondContact O-N 3.14Å; A356-L358 PolarHBondContact O-N 3.03Å; A356-R359 WeakPolarHBondContact O-CB 3.15Å; A356-R359 PolarHBondContact O-N 2.72Å; A356-I360 PolarHBondContact O-N 3.17Å |
| 357 | L | 97.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 174.7 | -63.5 | 170.6 | 0 | 0 | 0 | 111.6 | L338 V353 L354 R359 I360 I361 M369 L373 V377 | L338-L357 HydrophobicContact CD1-CD2 4.09Å; V353-L357 HydrophobicContact CG1-CD1 4.16Å; V353-L357 VanDerWaalsContact O-CG 3.3Å; V353-L357 WeakPolarHBondContact O-CG 3.47Å; V353-L357 PolarHBondContact O-N 2.8Å; L354-L357 PolarHBondContact O-N 3.22Å; L357-R359 VanDerWaalsContact C-N 3.35Å; L357-R359 PolarHBondContact O-N 3.16Å; L357-I360 WeakPolarHBondContact O-CB 3.42Å; L357-I360 PolarHBondContact O-N 3.26Å; L357-I361 WeakPolarHBondContact O-CD1 3.15Å; L357-I361 WeakPolarHBondContact O-CG1 3.31Å; L357-I361 PolarHBondContact O-N 3.15Å; L357-M369 HydrophobicContact CB-CE 4.19Å; L357-M369 HydrophobicContact CB-SD 4.05Å; L357-M369 HydrophobicContact CD1-CE 4.34Å; L357-M369 HydrophobicContact CD2-CE 4.27Å; L357-M369 HydrophobicContact CD2-SD 3.8Å; L357-M369 HydrophobicContact CG-CE 4.49Å; L357-M369 HydrophobicContact CG-SD 4.42Å; L357-L373 HydrophobicContact CD1-CD2 4.47Å; L357-L373 HydrophobicContact CD2-CD1 3.95Å; L357-L373 HydrophobicContact CD2-CD2 4.43Å; L357-V377 HydrophobicContact CD1-CG2 3.68Å |
| 358 | L | 96.4 | Very high | 94 | Very high | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -34.3 | 175.8 | -179.2 | 59.4 | 0 | 0 | 0 | 112.9 | L354 S355 A356 K362 I394 N398 | L354-L358 WeakPolarHBondContact O-CB 3.38Å; L354-L358 PolarHBondContact O-N 2.79Å; S355-L358 PolarHBondContact O-N 3.18Å; A356-L358 PolarHBondContact O-N 3.03Å; L358-K362 HydrophobicContact CD1-CD 4.25Å; L358-K362 HydrophobicContact CD1-CG 4.22Å; L358-K362 HydrophobicContact CG-CD 4.23Å; L358-K362 WeakPolarHBondContact O-CB 3.26Å; L358-K362 WeakPolarHBondContact O-CG 2.95Å; L358-K362 PolarHBondContact O-N 2.8Å; L358-I394 HydrophobicContact CD1-CG2 4.34Å; L358-I394 HydrophobicContact CD2-CG2 3.86Å; L358-N398 HydrophobicContact CD1-CB 3.83Å |
| 359 | R | 96.1 | Very high | 93.7 | Very high | 96 Ų | 96 | 35.5 Ų | 35.5 | 36% | 0.362 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 172.1 | -70.5 | 162.9 | -163.8 | 138.9 | 6.1 | 111.3 | S321 E352 S355 A356 L357 K362 K363 | S321-R359 WeakPolarHBondContact OG-CD 3.44Å; E352-R359 IonicContact OE1-CZ 3.37Å; E352-R359 VanDerWaalsContact OE1-CZ 3.3Å; E352-R359 IonicContact OE1-NH1 2.64Å; E352-R359 PolarHBondContact OE1-NH1 2.89Å; E352-R359 IonicContact OE1-NH2 2.87Å; E352-R359 PolarHBondContact OE1-NH2 3.05Å; S355-R359 VanDerWaalsContact O-CG 3.27Å; S355-R359 WeakPolarHBondContact O-CG 3.21Å; S355-R359 PolarHBondContact O-N 3.16Å; A356-R359 WeakPolarHBondContact O-CB 3.15Å; A356-R359 PolarHBondContact O-N 2.72Å; L357-R359 VanDerWaalsContact C-N 3.35Å; L357-R359 PolarHBondContact O-N 3.16Å; R359-K362 PolarHBondContact O-N 2.7Å; R359-K363 PolarHBondContact O-N 3.03Å; R359-K363 VanDerWaalsContact O-N 3.09Å |
| 360 | I | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 177.1 | -65.2 | 168.9 | 0 | 0 | 0 | 110.6 | M324 L325 A356 L357 K362 K363 G364 L368 | M324-I360 HydrophobicContact CB-CD1 4.14Å; M324-I360 HydrophobicContact CE-CD1 3.91Å; M324-I360 HydrophobicContact SD-CD1 3.8Å; L325-I360 HydrophobicContact CD2-CG2 4.28Å; L325-I360 HydrophobicContact CG-CG1 4.45Å; A356-I360 PolarHBondContact O-N 3.17Å; L357-I360 WeakPolarHBondContact O-CB 3.42Å; L357-I360 PolarHBondContact O-N 3.26Å; I360-K362 VanDerWaalsContact C-N 3.35Å; I360-K362 PolarHBondContact O-N 3.3Å; I360-K363 PolarHBondContact O-N 2.62Å; I360-K363 VanDerWaalsContact O-N 3.14Å; I360-G364 PolarHBondContact O-N 2.87Å; I360-L368 HydrophobicContact CG2-CB 3.89Å; I360-L368 HydrophobicContact CG2-CD1 3.73Å; I360-L368 HydrophobicContact CG2-CG 4.42Å |
| 361 | I | 94.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 178.6 | -67 | 158.4 | 0 | 0 | 0 | 111.1 | L357 K363 G364 M369 C395 N398 F399 | L357-I361 WeakPolarHBondContact O-CD1 3.15Å; L357-I361 WeakPolarHBondContact O-CG1 3.31Å; L357-I361 PolarHBondContact O-N 3.15Å; I361-K363 VanDerWaalsContact C-N 3.27Å; I361-K363 PolarHBondContact O-N 3.46Å; I361-G364 WeakPolarHBondContact O-CA 3.29Å; I361-G364 PolarHBondContact O-N 3.09Å; I361-M369 HydrophobicContact CD1-CE 4.05Å; I361-M369 HydrophobicContact CD1-CG 4.19Å; I361-M369 HydrophobicContact CD1-SD 3.97Å; I361-M369 HydrophobicContact CG1-CG 3.78Å; I361-M369 HydrophobicContact CG1-SD 3.97Å; I361-C395 VanDerWaalsContact CD1-SG 3.51Å; I361-N398 HydrophobicContact CG2-CB 3.97Å; I361-F399 HydrophobicContact CD1-CB 4.05Å; I361-F399 HydrophobicContact CG1-CB 4.48Å; I361-F399 HydrophobicContact CG1-CD2 4.32Å; I361-F399 HydrophobicContact CG2-CB 4.35Å |
| 362 | K | 92.1 | Very high | 93 | Very high | 142 Ų | 142 | 45.8 Ų | 45.8 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.6 | -23.2 | 178.5 | -77 | 179.5 | 173.8 | -179 | 0 | 114.1 | L358 R359 I360 G364 | L358-K362 HydrophobicContact CD1-CD 4.25Å; L358-K362 HydrophobicContact CD1-CG 4.22Å; L358-K362 HydrophobicContact CG-CD 4.23Å; L358-K362 WeakPolarHBondContact O-CB 3.26Å; L358-K362 WeakPolarHBondContact O-CG 2.95Å; L358-K362 PolarHBondContact O-N 2.8Å; R359-K362 PolarHBondContact O-N 2.7Å; I360-K362 VanDerWaalsContact C-N 3.35Å; I360-K362 PolarHBondContact O-N 3.3Å; K362-G364 VanDerWaalsContact C-N 3.27Å |
| 363 | K | 90.8 | Very high | 92.9 | Very high | 167 Ų | 167 | 45.4 Ų | 45.4 | 73% | 0.726 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.5 | 170.6 | -75.6 | -73.6 | -173.1 | 173.6 | 0 | 113.3 | L325 R359 I360 I361 | L325-K363 HydrophobicContact CD1-CB 3.87Å; L325-K363 HydrophobicContact CD1-CG 3.86Å; L325-K363 HydrophobicContact CD2-CB 4.44Å; R359-K363 PolarHBondContact O-N 3.03Å; R359-K363 VanDerWaalsContact O-N 3.09Å; I360-K363 PolarHBondContact O-N 2.62Å; I360-K363 VanDerWaalsContact O-N 3.14Å; I361-K363 VanDerWaalsContact C-N 3.27Å; I361-K363 PolarHBondContact O-N 3.46Å |
| 364 | G | 82.4 | Confident | 92.8 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | -8.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I360 I361 K362 T366 | I360-G364 PolarHBondContact O-N 2.87Å; I361-G364 WeakPolarHBondContact O-CA 3.29Å; I361-G364 PolarHBondContact O-N 3.09Å; K362-G364 VanDerWaalsContact C-N 3.27Å; G364-T366 VanDerWaalsContact C-N 3.34Å; G364-T366 PolarHBondContact O-N 3.29Å |
| 365 | S | 83.7 | Confident | 92.7 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | trans | -83 | 68.2 | -171.4 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | L325 S367 L368 | L325-S365 WeakPolarHBondContact CD2-OG 3.38Å; S365-S367 PolarHBondContact O-N 2.94Å; S365-L368 PolarHBondContact O-N 3.2Å | ||
| 366 | T | 84.5 | Confident | 92.6 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.6 | -30.8 | 177.7 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | G364 L368 M369 F399 R402 | G364-T366 VanDerWaalsContact C-N 3.34Å; G364-T366 PolarHBondContact O-N 3.29Å; T366-L368 PolarHBondContact O-N 3.05Å; T366-M369 WeakPolarHBondContact O-CB 3.3Å; T366-M369 PolarHBondContact O-N 3.24Å; T366-F399 HydrophobicContact CG2-CD2 4.22Å; T366-F399 HydrophobicContact CG2-CE2 4.1Å; T366-R402 HydrophobicContact CG2-CB 4.13Å; T366-R402 HydrophobicContact CG2-CG 3.62Å |
| 367 | S | 87.1 | Confident | 92.7 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -60.2 | -22 | 178 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | S365 M369 | S365-S367 PolarHBondContact O-N 2.94Å; S367-M369 VanDerWaalsContact C-N 3.32Å |
| 368 | L | 91.1 | Very high | 92.6 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -79.1 | -15 | 176.7 | -65.1 | 174 | 0 | 0 | 0 | 112.9 | M324 L325 A331 R335 I360 S365 T366 T370 | M324-L368 HydrophobicContact CB-CD1 4.35Å; M324-L368 HydrophobicContact CE-CB 4.17Å; M324-L368 VanDerWaalsContact O-CD1 3.23Å; M324-L368 WeakPolarHBondContact O-CD1 3.34Å; L325-L368 HydrophobicContact CD2-CD1 3.79Å; A331-L368 HydrophobicContact CB-CD2 4.15Å; R335-L368 VanDerWaalsContact NH1-CD2 3.31Å; I360-L368 HydrophobicContact CG2-CB 3.89Å; I360-L368 HydrophobicContact CG2-CD1 3.73Å; I360-L368 HydrophobicContact CG2-CG 4.42Å; S365-L368 PolarHBondContact O-N 3.2Å; T366-L368 PolarHBondContact O-N 3.05Å; L368-T370 PolarHBondContact O-N 3.35Å |
| 369 | M | 93.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | trans | -88.2 | 85.1 | 179 | -64.9 | -61.7 | -58.2 | 0 | 0 | 111 | L357 I361 T366 S367 L373 L374 F399 | L357-M369 HydrophobicContact CB-CE 4.19Å; L357-M369 HydrophobicContact CB-SD 4.05Å; L357-M369 HydrophobicContact CD1-CE 4.34Å; L357-M369 HydrophobicContact CD2-CE 4.27Å; L357-M369 HydrophobicContact CD2-SD 3.8Å; L357-M369 HydrophobicContact CG-CE 4.49Å; L357-M369 HydrophobicContact CG-SD 4.42Å; I361-M369 HydrophobicContact CD1-CE 4.05Å; I361-M369 HydrophobicContact CD1-CG 4.19Å; I361-M369 HydrophobicContact CD1-SD 3.97Å; I361-M369 HydrophobicContact CG1-CG 3.78Å; I361-M369 HydrophobicContact CG1-SD 3.97Å; T366-M369 WeakPolarHBondContact O-CB 3.3Å; T366-M369 PolarHBondContact O-N 3.24Å; S367-M369 VanDerWaalsContact C-N 3.32Å; M369-L373 HydrophobicContact CE-CB 4.44Å; M369-L374 HydrophobicContact CB-CD2 4.17Å; M369-L374 HydrophobicContact CB-CG 4.34Å; M369-L374 HydrophobicContact CE-CD2 3.8Å; M369-L374 HydrophobicContact CE-CG 4.47Å; M369-F399 HydrophobicContact CB-CD2 4.11Å; M369-F399 HydrophobicContact CB-CE2 3.63Å; M369-F399 HydrophobicContact CB-CZ 4.26Å; M369-F399 HydrophobicContact CG-CD2 4.01Å; M369-F399 HydrophobicContact CG-CE2 4.01Å | ||
| 370 | T | 92.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.288 | 27% | 0.272 | S | S | . | . | trans | -67.7 | 156.4 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | R335 L368 R372 L373 L374 | R335-T370 VanDerWaalsContact CD-CG2 3.48Å; L368-T370 PolarHBondContact O-N 3.35Å; T370-R372 PolarHBondContact O-N 3.33Å; T370-R372 VanDerWaalsContact O-N 3.08Å; T370-L373 PolarHBondContact O-N 2.78Å; T370-L374 PolarHBondContact O-N 2.89Å | ||
| 371 | D | 93.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.4 | -27.2 | 178.8 | -61.2 | -68.6 | 0 | 0 | 0 | 113.4 | N375 K415 | D371-N375 VanDerWaalsContact O-CB 3.29Å; D371-N375 WeakPolarHBondContact O-CB 3.14Å; D371-N375 PolarHBondContact O-N 3.12Å; D371-K415 VanDerWaalsContact CG-NZ 3.3Å; D371-K415 WeakPolarHBondContact OD1-CE 3.31Å; D371-K415 IonicContact OD1-NZ 2.68Å; D371-K415 PolarHBondContact OD1-NZ 3.33Å; D371-K415 WeakPolarHBondContact OD2-CE 3.47Å; D371-K415 IonicContact OD2-NZ 3.63Å; D371-K415 PolarHBondContact OD2-NZ 2.83Å |
| 372 | R | 94.3 | Very high | 92.6 | Very high | 156 Ų | 156 | 58.1 Ų | 58.1 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.1 | -49.5 | 171.1 | -66.8 | -167.7 | -174.4 | 173.1 | 0.4 | 112.4 | E339 T370 N375 A376 | E339-R372 WeakPolarHBondContact OE2-CB 3.42Å; E339-R372 WeakPolarHBondContact OE2-CD 3.49Å; E339-R372 IonicContact OE2-NH1 2.75Å; T370-R372 PolarHBondContact O-N 3.33Å; T370-R372 VanDerWaalsContact O-N 3.08Å; R372-N375 CarbonylContact O-C 3.6Å; R372-N375 PolarHBondContact O-N 2.68Å; R372-A376 PolarHBondContact O-N 2.74Å |
| 373 | L | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.8 | -74.8 | 175.7 | 0 | 0 | 0 | 111.5 | R335 L338 E339 L357 M369 T370 N375 A376 V377 | R335-L373 HydrophobicContact CB-CD1 4.17Å; R335-L373 HydrophobicContact CG-CD1 3.79Å; L338-L373 HydrophobicContact CB-CD2 4.22Å; E339-L373 HydrophobicContact CB-CD2 4.03Å; L357-L373 HydrophobicContact CD1-CD2 4.47Å; L357-L373 HydrophobicContact CD2-CD1 3.95Å; L357-L373 HydrophobicContact CD2-CD2 4.43Å; M369-L373 HydrophobicContact CE-CB 4.44Å; T370-L373 PolarHBondContact O-N 2.78Å; L373-N375 VanDerWaalsContact C-N 3.31Å; L373-N375 PolarHBondContact O-N 3.48Å; L373-A376 WeakPolarHBondContact O-CB 3.3Å; L373-A376 PolarHBondContact O-N 3.15Å; L373-A376 VanDerWaalsContact O-N 3.11Å; L373-V377 WeakPolarHBondContact O-CG2 3.41Å; L373-V377 PolarHBondContact O-N 2.98Å |
| 374 | L | 96.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 174.1 | -66.6 | 171.4 | 0 | 0 | 0 | 111.9 | M369 T370 K378 L396 F399 Y416 W418 | M369-L374 HydrophobicContact CB-CD2 4.17Å; M369-L374 HydrophobicContact CB-CG 4.34Å; M369-L374 HydrophobicContact CE-CD2 3.8Å; M369-L374 HydrophobicContact CE-CG 4.47Å; T370-L374 PolarHBondContact O-N 2.89Å; L374-K378 VanDerWaalsContact O-CB 3.27Å; L374-K378 WeakPolarHBondContact O-CB 3.41Å; L374-K378 PolarHBondContact O-N 3.08Å; L374-L396 HydrophobicContact CD2-CD2 4.23Å; L374-F399 HydrophobicContact CD1-CD1 4.42Å; L374-F399 HydrophobicContact CD1-CE1 3.54Å; L374-F399 HydrophobicContact CD1-CZ 3.65Å; L374-F399 HydrophobicContact CD2-CD1 3.64Å; L374-F399 HydrophobicContact CD2-CD2 4.34Å; L374-F399 HydrophobicContact CD2-CE1 3.58Å; L374-F399 HydrophobicContact CD2-CE2 4.31Å; L374-F399 HydrophobicContact CD2-CG 4.02Å; L374-F399 HydrophobicContact CD2-CZ 3.95Å; L374-F399 HydrophobicContact CG-CE1 4.23Å; L374-F399 HydrophobicContact CG-CZ 4.4Å; L374-Y416 HydrophobicContact CD1-CD1 4.22Å; L374-Y416 HydrophobicContact CD1-CE1 3.76Å; L374-W418 HydrophobicContact CB-CZ2 4.2Å |
| 375 | N | 96.1 | Very high | 93.4 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.9 | -32.4 | 173.1 | -175.5 | 69.4 | 0 | 0 | 0 | 112.9 | D371 R372 L373 K378 V379 | D371-N375 VanDerWaalsContact O-CB 3.29Å; D371-N375 WeakPolarHBondContact O-CB 3.14Å; D371-N375 PolarHBondContact O-N 3.12Å; R372-N375 CarbonylContact O-C 3.6Å; R372-N375 PolarHBondContact O-N 2.68Å; L373-N375 VanDerWaalsContact C-N 3.31Å; L373-N375 PolarHBondContact O-N 3.48Å; N375-K378 WeakPolarHBondContact O-CB 3.39Å; N375-K378 PolarHBondContact O-N 3.16Å; N375-V379 WeakPolarHBondContact O-CG2 3.23Å; N375-V379 PolarHBondContact O-N 3.31Å; N375-V379 VanDerWaalsContact O-N 3.08Å |
| 376 | A | 96.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 58 Ų | 58 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R372 L373 V379 R380 | R372-A376 PolarHBondContact O-N 2.74Å; L373-A376 WeakPolarHBondContact O-CB 3.3Å; L373-A376 PolarHBondContact O-N 3.15Å; L373-A376 VanDerWaalsContact O-N 3.11Å; A376-V379 PolarHBondContact O-N 2.97Å; A376-R380 PolarHBondContact O-N 3.41Å |
| 377 | V | 97.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L354 L357 L373 V379 R380 T381 A392 C395 L396 | L354-V377 HydrophobicContact CD2-CB 4.26Å; L354-V377 HydrophobicContact CD2-CG1 3.95Å; L354-V377 HydrophobicContact CD2-CG2 3.91Å; L357-V377 HydrophobicContact CD1-CG2 3.68Å; L373-V377 WeakPolarHBondContact O-CG2 3.41Å; L373-V377 PolarHBondContact O-N 2.98Å; V377-V379 VanDerWaalsContact C-N 3.31Å; V377-V379 PolarHBondContact O-N 3.1Å; V377-R380 WeakPolarHBondContact O-CA 3.23Å; V377-R380 WeakPolarHBondContact O-CB 3.45Å; V377-R380 PolarHBondContact O-N 3.25Å; V377-T381 PolarHBondContact O-N 2.9Å; V377-T381 VanDerWaalsContact O-N 3.16Å; V377-A392 HydrophobicContact CG1-CB 4.04Å; V377-A392 WeakPolarHBondContact CG1-O 3.38Å; V377-C395 HydrophobicContact CG1-CB 4.03Å; V377-L396 HydrophobicContact CB-CD2 4.31Å; V377-L396 HydrophobicContact CG1-CD1 4.37Å; V377-L396 HydrophobicContact CG1-CD2 3.97Å; V377-L396 HydrophobicContact CG1-CG 3.71Å |
| 378 | K | 97.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53 | -45.4 | 174.7 | -179.4 | -176 | -164.4 | 159.1 | 0 | 112.1 | L374 N375 R380 T381 W418 R422 | L374-K378 VanDerWaalsContact O-CB 3.27Å; L374-K378 WeakPolarHBondContact O-CB 3.41Å; L374-K378 PolarHBondContact O-N 3.08Å; N375-K378 WeakPolarHBondContact O-CB 3.39Å; N375-K378 PolarHBondContact O-N 3.16Å; K378-R380 VanDerWaalsContact C-N 3.33Å; K378-R380 PolarHBondContact O-N 3.05Å; K378-T381 PolarHBondContact O-N 3.45Å; K378-T381 PolarHBondContact O-OG1 2.89Å; K378-W418 HydrophobicContact CB-CH2 3.85Å; K378-W418 HydrophobicContact CB-CZ3 3.81Å; K378-W418 HydrophobicContact CD-CE3 3.81Å; K378-W418 HydrophobicContact CD-CH2 3.81Å; K378-W418 HydrophobicContact CD-CZ2 4.49Å; K378-W418 HydrophobicContact CD-CZ3 3.42Å; K378-W418 VanDerWaalsContact CD-CZ3 3.42Å; K378-W418 HydrophobicContact CG-CE3 4.3Å; K378-W418 HydrophobicContact CG-CH2 4.09Å; K378-W418 HydrophobicContact CG-CZ3 3.58Å; K378-W418 VanDerWaalsContact NZ-CE3 3.35Å; K378-R422 HydrophobicContact CG-CG 4.3Å |
| 379 | V | 95.8 | Very high | 95.1 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 175.7 | 174 | 0 | 0 | 0 | 0 | 111.6 | N375 A376 V377 T381 L382 | N375-V379 WeakPolarHBondContact O-CG2 3.23Å; N375-V379 PolarHBondContact O-N 3.31Å; N375-V379 VanDerWaalsContact O-N 3.08Å; A376-V379 PolarHBondContact O-N 2.97Å; V377-V379 VanDerWaalsContact C-N 3.31Å; V377-V379 PolarHBondContact O-N 3.1Å; V379-T381 VanDerWaalsContact C-N 3.26Å; V379-T381 PolarHBondContact O-N 3.19Å; V379-L382 PolarHBondContact O-N 3.23Å |
| 380 | R | 96.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.8 | -18.4 | 175.2 | -69.3 | -50.7 | 102.2 | 177.9 | 18.4 | 114.6 | S342 L354 A376 V377 K378 L382 D383 V388 A392 | S342-R380 WeakPolarHBondContact O-CD 3.49Å; S342-R380 PolarHBondContact O-NE 2.94Å; L354-R380 HydrophobicContact CD1-CB 4.01Å; L354-R380 HydrophobicContact CD1-CG 4.22Å; L354-R380 HydrophobicContact CD2-CB 4.14Å; L354-R380 HydrophobicContact CD2-CG 4.23Å; A376-R380 PolarHBondContact O-N 3.41Å; V377-R380 WeakPolarHBondContact O-CA 3.23Å; V377-R380 WeakPolarHBondContact O-CB 3.45Å; V377-R380 PolarHBondContact O-N 3.25Å; K378-R380 VanDerWaalsContact C-N 3.33Å; K378-R380 PolarHBondContact O-N 3.05Å; R380-L382 PolarHBondContact O-N 3.49Å; R380-L382 VanDerWaalsContact O-N 3.12Å; R380-D383 WeakPolarHBondContact CD-OD2 3.38Å; R380-D383 IonicContact CZ-OD2 3.5Å; R380-D383 IonicContact NE-OD2 3.86Å; R380-D383 IonicContact NH1-OD2 3.53Å; R380-D383 PolarHBondContact NH1-OD2 3.42Å; R380-D383 VanDerWaalsContact O-CB 3.26Å; R380-D383 WeakPolarHBondContact O-CB 3.26Å; R380-D383 PolarHBondContact O-N 3.31Å; R380-V388 HydrophobicContact CB-CG1 4.28Å; R380-V388 HydrophobicContact CG-CG1 4.34Å; R380-A392 HydrophobicContact CB-CB 3.66Å |
| 381 | T | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4 | 167.9 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | V377 K378 V379 R389 A392 V393 L396 R422 | V377-T381 PolarHBondContact O-N 2.9Å; V377-T381 VanDerWaalsContact O-N 3.16Å; K378-T381 PolarHBondContact O-N 3.45Å; K378-T381 PolarHBondContact O-OG1 2.89Å; V379-T381 VanDerWaalsContact C-N 3.26Å; V379-T381 PolarHBondContact O-N 3.19Å; T381-R389 WeakPolarHBondContact O-CD 3.49Å; T381-A392 HydrophobicContact CG2-CB 3.87Å; T381-V393 HydrophobicContact CG2-CG2 3.88Å; T381-L396 HydrophobicContact CG2-CD1 3.84Å; T381-R422 PolarHBondContact O-NH2 3.38Å; T381-R422 VanDerWaalsContact O-NH2 3.08Å; T381-R422 PolarHBondContact OG1-NE 3.49Å; T381-R422 PolarHBondContact OG1-NH2 3.24Å |
| 382 | L | 93.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 20.2 | 170.9 | -67.3 | 172.9 | 0 | 0 | 0 | 112 | V379 R380 R422 | V379-L382 PolarHBondContact O-N 3.23Å; R380-L382 PolarHBondContact O-N 3.49Å; R380-L382 VanDerWaalsContact O-N 3.12Å; L382-R422 VanDerWaalsContact CD2-NH2 3.27Å |
| 383 | D | 95.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | trans | -61.9 | 149 | 177.8 | -161.5 | -73.4 | 0 | 0 | 0 | 112.2 | R350 R380 K385 V388 R389 | R350-D383 IonicContact CZ-OD2 3.57Å; R350-D383 IonicContact NE-OD2 3.93Å; R350-D383 IonicContact NH1-OD1 3.8Å; R350-D383 PolarHBondContact NH1-OD1 3.48Å; R350-D383 IonicContact NH1-OD2 2.8Å; R350-D383 PolarHBondContact NH1-OD2 2.84Å; R380-D383 WeakPolarHBondContact CD-OD2 3.38Å; R380-D383 IonicContact CZ-OD2 3.5Å; R380-D383 IonicContact NE-OD2 3.86Å; R380-D383 IonicContact NH1-OD2 3.53Å; R380-D383 PolarHBondContact NH1-OD2 3.42Å; R380-D383 VanDerWaalsContact O-CB 3.26Å; R380-D383 WeakPolarHBondContact O-CB 3.26Å; R380-D383 PolarHBondContact O-N 3.31Å; D383-K385 PolarHBondContact O-N 3.23Å; D383-K385 PolarHBondContact OD1-N 2.94Å; D383-V388 HydrophobicContact CB-CB 4.01Å; D383-V388 HydrophobicContact CB-CG1 3.79Å; D383-R389 HydrophobicContact CB-CG 3.96Å; D383-R389 VanDerWaalsContact O-CD 3.23Å; D383-R389 WeakPolarHBondContact O-CD 3.44Å; D383-R389 VanDerWaalsContact O-CG 3.23Å; D383-R389 WeakPolarHBondContact O-CG 3.3Å; D383-R389 PolarHBondContact O-NH1 3.09Å | ||
| 384 | K | 92.1 | Very high | 96 | Very high | 200 Ų | 200 | 50.3 Ų | 50.3 | 87% | 0.87 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -62 | -23.6 | 176.8 | -63.9 | -178.8 | -179.9 | 178.4 | 0 | 112.6 | ||
| 385 | K | 94 | Very high | 96 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -108.4 | 123.9 | -175.1 | -63.3 | -65 | -164.8 | 91.5 | 0 | 111.7 | E347 D383 K387 V388 R389 | E347-K385 VanDerWaalsContact CD-CG 3.5Å; E347-K385 HydrophobicContact CG-CB 4.12Å; E347-K385 HydrophobicContact CG-CG 4.1Å; E347-K385 WeakPolarHBondContact OE1-CB 3.38Å; E347-K385 WeakPolarHBondContact OE2-CD 3.36Å; E347-K385 WeakPolarHBondContact OE2-CE 3.41Å; E347-K385 VanDerWaalsContact OE2-CG 3.31Å; E347-K385 WeakPolarHBondContact OE2-CG 3.32Å; E347-K385 IonicContact OE2-NZ 2.72Å; E347-K385 PolarHBondContact OE2-NZ 2.77Å; D383-K385 PolarHBondContact O-N 3.23Å; D383-K385 PolarHBondContact OD1-N 2.94Å; K385-K387 VanDerWaalsContact C-N 3.3Å; K385-K387 PolarHBondContact O-N 3.2Å; K385-V388 HydrophobicContact CB-CG2 4.36Å; K385-V388 PolarHBondContact O-N 2.77Å; K385-V388 VanDerWaalsContact O-N 3.07Å; K385-R389 PolarHBondContact O-N 3.33Å; K385-R389 VanDerWaalsContact O-N 3.09Å |
| 386 | F | 92.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.1 | -40.3 | -178 | 174.9 | -111.8 | 0 | 0 | 0 | 113.1 | V388 R389 R390 E433 D434 L437 | F386-V388 PolarHBondContact O-N 2.9Å; F386-R389 PolarHBondContact O-N 2.72Å; F386-R389 VanDerWaalsContact O-N 3.16Å; F386-R390 HydrophobicContact CE1-CB 4.36Å; F386-R390 HydrophobicContact CE2-CB 4.2Å; F386-R390 HydrophobicContact CZ-CB 4.02Å; F386-R390 HydrophobicContact CZ-CG 4.39Å; F386-R390 WeakPolarHBondContact O-CB 3.33Å; F386-R390 PolarHBondContact O-N 2.81Å; F386-E433 HydrophobicContact CD1-CB 4.09Å; F386-E433 HydrophobicContact CD2-CB 4.06Å; F386-E433 HydrophobicContact CE1-CB 3.64Å; F386-E433 HydrophobicContact CE1-CG 4.44Å; F386-E433 VanDerWaalsContact CE2-C 3.44Å; F386-E433 HydrophobicContact CE2-CB 3.62Å; F386-E433 WeakPolarHBondContact CE2-O 3.23Å; F386-E433 HydrophobicContact CG-CB 4.3Å; F386-E433 HydrophobicContact CZ-CB 3.39Å; F386-D434 WeakPolarHBondContact CD2-OD1 3.33Å; F386-L437 HydrophobicContact CE2-CD2 4.49Å |
| 387 | K | 95.4 | Very high | 96 | Very high | 112 Ų | 112 | 45.6 Ų | 45.6 | 49% | 0.487 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.4 | -40.3 | 177.6 | -172.2 | -177.1 | 176.1 | -177.1 | 0 | 112.3 | F351 K385 E391 | F351-K387 HydrophobicContact CD2-CD 4.14Å; F351-K387 HydrophobicContact CD2-CG 3.75Å; F351-K387 HydrophobicContact CE2-CD 4.28Å; F351-K387 HydrophobicContact CE2-CG 3.79Å; K385-K387 VanDerWaalsContact C-N 3.3Å; K385-K387 PolarHBondContact O-N 3.2Å; K387-E391 PolarHBondContact O-N 2.91Å |
| 388 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77 | -41.2 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | E347 R350 F351 L354 R380 D383 K385 F386 R390 E391 A392 | E347-V388 HydrophobicContact CG-CG2 3.65Å; R350-V388 HydrophobicContact CB-CG1 4.09Å; R350-V388 HydrophobicContact CB-CG2 4.39Å; F351-V388 HydrophobicContact CB-CG2 4.35Å; L354-V388 HydrophobicContact CD1-CG1 3.62Å; L354-V388 WeakPolarHBondContact CD1-O 3.48Å; R380-V388 HydrophobicContact CB-CG1 4.28Å; R380-V388 HydrophobicContact CG-CG1 4.34Å; D383-V388 HydrophobicContact CB-CB 4.01Å; D383-V388 HydrophobicContact CB-CG1 3.79Å; K385-V388 HydrophobicContact CB-CG2 4.36Å; K385-V388 PolarHBondContact O-N 2.77Å; K385-V388 VanDerWaalsContact O-N 3.07Å; F386-V388 PolarHBondContact O-N 2.9Å; V388-R390 PolarHBondContact O-N 3.21Å; V388-E391 PolarHBondContact O-N 3.07Å; V388-A392 WeakPolarHBondContact O-CB 3.37Å; V388-A392 PolarHBondContact O-N 2.82Å |
| 389 | R | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 173.2 | -68.7 | -162 | -57.2 | -80.8 | 1.5 | 111.9 | T381 D383 K385 F386 E391 A392 V393 D434 | T381-R389 WeakPolarHBondContact O-CD 3.49Å; D383-R389 HydrophobicContact CB-CG 3.96Å; D383-R389 VanDerWaalsContact O-CD 3.23Å; D383-R389 WeakPolarHBondContact O-CD 3.44Å; D383-R389 VanDerWaalsContact O-CG 3.23Å; D383-R389 WeakPolarHBondContact O-CG 3.3Å; D383-R389 PolarHBondContact O-NH1 3.09Å; K385-R389 PolarHBondContact O-N 3.33Å; K385-R389 VanDerWaalsContact O-N 3.09Å; F386-R389 PolarHBondContact O-N 2.72Å; F386-R389 VanDerWaalsContact O-N 3.16Å; R389-E391 PolarHBondContact O-N 2.86Å; R389-A392 PolarHBondContact O-N 3.36Å; R389-V393 WeakPolarHBondContact O-CB 3.47Å; R389-V393 WeakPolarHBondContact O-CG2 3.18Å; R389-V393 PolarHBondContact O-N 3.16Å; R389-D434 IonicContact CZ-OD1 2.75Å; R389-D434 IonicContact CZ-OD2 3.57Å; R389-D434 IonicContact NE-OD1 3.41Å; R389-D434 PolarHBondContact NE-OD1 3.26Å; R389-D434 IonicContact NE-OD2 3.56Å; R389-D434 PolarHBondContact NE-OD2 2.72Å; R389-D434 VanDerWaalsContact NH2-CG 3.32Å; R389-D434 IonicContact NH2-OD1 3.5Å; R389-D434 PolarHBondContact NH2-OD1 2.75Å; R389-D434 VanDerWaalsContact NH2-OD1 3.14Å; R389-D434 IonicContact NH2-OD2 2.7Å; R389-D434 PolarHBondContact NH2-OD2 3.22Å |
| 390 | R | 96.6 | Very high | 95.6 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 43% | 0.426 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 178.5 | 176 | 174.8 | 175.2 | -89.8 | 7.9 | 111.7 | F386 V388 A392 V393 I394 L437 | F386-R390 HydrophobicContact CE1-CB 4.36Å; F386-R390 HydrophobicContact CE2-CB 4.2Å; F386-R390 HydrophobicContact CZ-CB 4.02Å; F386-R390 HydrophobicContact CZ-CG 4.39Å; F386-R390 WeakPolarHBondContact O-CB 3.33Å; F386-R390 PolarHBondContact O-N 2.81Å; V388-R390 PolarHBondContact O-N 3.21Å; R390-A392 VanDerWaalsContact C-N 3.33Å; R390-A392 PolarHBondContact O-N 3.39Å; R390-V393 PolarHBondContact O-N 3.04Å; R390-I394 HydrophobicContact CG-CD1 3.76Å; R390-I394 WeakPolarHBondContact O-CB 3.39Å; R390-I394 VanDerWaalsContact O-CG1 3.25Å; R390-I394 WeakPolarHBondContact O-CG1 3.41Å; R390-I394 PolarHBondContact O-N 2.79Å; R390-L437 HydrophobicContact CB-CD2 3.98Å; R390-L437 HydrophobicContact CG-CD1 4.46Å; R390-L437 HydrophobicContact CG-CD2 3.98Å |
| 391 | E | 97.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.5 | -158.9 | 72.6 | 176 | 0 | 0 | 111.7 | F351 L354 S355 K387 V388 R389 C395 | F351-E391 HydrophobicContact CD2-CB 3.89Å; F351-E391 HydrophobicContact CD2-CG 4.06Å; F351-E391 HydrophobicContact CE2-CB 3.72Å; F351-E391 HydrophobicContact CE2-CG 3.74Å; F351-E391 HydrophobicContact CZ-CG 4.27Å; L354-E391 HydrophobicContact CB-CB 4.02Å; L354-E391 HydrophobicContact CB-CG 3.59Å; L354-E391 HydrophobicContact CD1-CB 4.08Å; S355-E391 WeakPolarHBondContact CB-OE1 3.3Å; S355-E391 PolarHBondContact OG-OE1 3.27Å; K387-E391 PolarHBondContact O-N 2.91Å; V388-E391 PolarHBondContact O-N 3.07Å; R389-E391 PolarHBondContact O-N 2.86Å; E391-C395 WeakPolarHBondContact O-CB 3.27Å; E391-C395 PolarHBondContact O-N 3.28Å |
| 392 | A | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L354 V377 R380 T381 V388 R389 R390 C395 L396 | L354-A392 HydrophobicContact CD1-CB 3.85Å; L354-A392 HydrophobicContact CD2-CB 3.96Å; V377-A392 HydrophobicContact CG1-CB 4.04Å; V377-A392 WeakPolarHBondContact CG1-O 3.38Å; R380-A392 HydrophobicContact CB-CB 3.66Å; T381-A392 HydrophobicContact CG2-CB 3.87Å; V388-A392 WeakPolarHBondContact O-CB 3.37Å; V388-A392 PolarHBondContact O-N 2.82Å; R389-A392 PolarHBondContact O-N 3.36Å; R390-A392 VanDerWaalsContact C-N 3.33Å; R390-A392 PolarHBondContact O-N 3.39Å; A392-C395 PolarHBondContact O-N 2.95Å; A392-L396 PolarHBondContact O-N 3.44Å |
| 393 | V | 97.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.8 | 165.8 | 0 | 0 | 0 | 0 | 110.6 | T381 R389 R390 C395 L396 S397 L423 L437 I441 | T381-V393 HydrophobicContact CG2-CG2 3.88Å; R389-V393 WeakPolarHBondContact O-CB 3.47Å; R389-V393 WeakPolarHBondContact O-CG2 3.18Å; R389-V393 PolarHBondContact O-N 3.16Å; R390-V393 PolarHBondContact O-N 3.04Å; V393-C395 VanDerWaalsContact C-N 3.34Å; V393-C395 PolarHBondContact O-N 3.5Å; V393-L396 PolarHBondContact O-N 3.3Å; V393-S397 WeakPolarHBondContact O-CB 3.44Å; V393-S397 PolarHBondContact O-N 3.28Å; V393-L423 HydrophobicContact CB-CD2 4.49Å; V393-L423 HydrophobicContact CG1-CD2 3.9Å; V393-L423 WeakPolarHBondContact O-CD2 3.48Å; V393-L437 HydrophobicContact CB-CD2 3.93Å; V393-L437 HydrophobicContact CG1-CD2 3.76Å; V393-L437 HydrophobicContact CG1-CG 4Å; V393-L437 HydrophobicContact CG2-CD2 4.48Å; V393-I441 HydrophobicContact CG1-CD1 4.26Å; V393-I441 HydrophobicContact CG1-CG1 3.86Å |
| 394 | I | 97.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 174.6 | -68.4 | 168.4 | 0 | 0 | 0 | 111 | L358 R390 S397 N398 L437 I441 | L358-I394 HydrophobicContact CD1-CG2 4.34Å; L358-I394 HydrophobicContact CD2-CG2 3.86Å; R390-I394 HydrophobicContact CG-CD1 3.76Å; R390-I394 WeakPolarHBondContact O-CB 3.39Å; R390-I394 VanDerWaalsContact O-CG1 3.25Å; R390-I394 WeakPolarHBondContact O-CG1 3.41Å; R390-I394 PolarHBondContact O-N 2.79Å; I394-S397 PolarHBondContact O-N 3.41Å; I394-S397 PolarHBondContact O-OG 3.07Å; I394-N398 WeakPolarHBondContact O-CB 3.27Å; I394-N398 PolarHBondContact O-N 2.97Å; I394-N398 PolarHBondContact O-ND2 3.37Å; I394-L437 HydrophobicContact CG1-CD1 4.37Å; I394-I441 HydrophobicContact CG1-CD1 4.35Å |
| 395 | C | 97.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 176.5 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | I361 V377 E391 A392 V393 S397 F399 | I361-C395 VanDerWaalsContact CD1-SG 3.51Å; V377-C395 HydrophobicContact CG1-CB 4.03Å; E391-C395 WeakPolarHBondContact O-CB 3.27Å; E391-C395 PolarHBondContact O-N 3.28Å; A392-C395 PolarHBondContact O-N 2.95Å; V393-C395 VanDerWaalsContact C-N 3.34Å; V393-C395 PolarHBondContact O-N 3.5Å; C395-S397 PolarHBondContact O-N 3.5Å; C395-F399 WeakPolarHBondContact O-CB 3.46Å; C395-F399 PolarHBondContact O-N 3.4Å; C395-F399 VanDerWaalsContact O-N 3.11Å |
| 396 | L | 97 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -36.1 | 175.1 | -71.1 | 179.8 | 0 | 0 | 0 | 113.2 | L374 V377 T381 A392 V393 F399 Y400 W418 I419 L423 | L374-L396 HydrophobicContact CD2-CD2 4.23Å; V377-L396 HydrophobicContact CB-CD2 4.31Å; V377-L396 HydrophobicContact CG1-CD1 4.37Å; V377-L396 HydrophobicContact CG1-CD2 3.97Å; V377-L396 HydrophobicContact CG1-CG 3.71Å; T381-L396 HydrophobicContact CG2-CD1 3.84Å; A392-L396 PolarHBondContact O-N 3.44Å; V393-L396 PolarHBondContact O-N 3.3Å; L396-F399 PolarHBondContact O-N 2.98Å; L396-Y400 WeakPolarHBondContact O-CB 3.35Å; L396-Y400 PolarHBondContact O-N 3.29Å; L396-W418 HydrophobicContact CD1-CH2 4.42Å; L396-W418 HydrophobicContact CD1-CZ3 4.21Å; L396-W418 HydrophobicContact CD2-CH2 4.11Å; L396-I419 HydrophobicContact CB-CG2 4.07Å; L396-L423 HydrophobicContact CB-CD2 3.96Å |
| 397 | S | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.3 | -38.2 | -179.6 | 92.7 | 0 | 0 | 0 | 0 | 112.7 | V393 I394 C395 K401 I441 S445 | V393-S397 WeakPolarHBondContact O-CB 3.44Å; V393-S397 PolarHBondContact O-N 3.28Å; I394-S397 PolarHBondContact O-N 3.41Å; I394-S397 PolarHBondContact O-OG 3.07Å; C395-S397 PolarHBondContact O-N 3.5Å; S397-K401 VanDerWaalsContact O-CB 3.29Å; S397-K401 WeakPolarHBondContact O-CB 3.49Å; S397-K401 PolarHBondContact O-N 2.83Å; S397-I441 WeakPolarHBondContact OG-CD1 3.45Å; S397-S445 WeakPolarHBondContact CB-OG 3.42Å; S397-S445 PolarHBondContact OG-OG 3.33Å |
| 398 | N | 94.8 | Very high | 89.7 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.8 | -37.1 | 175.5 | -79.7 | -116.9 | 0 | 0 | 0 | 110.6 | L358 I361 I394 R402 | L358-N398 HydrophobicContact CD1-CB 3.83Å; I361-N398 HydrophobicContact CG2-CB 3.97Å; I394-N398 WeakPolarHBondContact O-CB 3.27Å; I394-N398 PolarHBondContact O-N 2.97Å; I394-N398 PolarHBondContact O-ND2 3.37Å; N398-R402 WeakPolarHBondContact O-CB 3.09Å; N398-R402 PolarHBondContact O-N 3.42Å; N398-R402 VanDerWaalsContact O-N 3.11Å |
| 399 | F | 94.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -50.5 | 174 | -178.3 | -106.4 | 0 | 0 | 0 | 111.6 | I361 T366 M369 L374 C395 L396 K401 R402 L403 Y416 I419 | I361-F399 HydrophobicContact CD1-CB 4.05Å; I361-F399 HydrophobicContact CG1-CB 4.48Å; I361-F399 HydrophobicContact CG1-CD2 4.32Å; I361-F399 HydrophobicContact CG2-CB 4.35Å; T366-F399 HydrophobicContact CG2-CD2 4.22Å; T366-F399 HydrophobicContact CG2-CE2 4.1Å; M369-F399 HydrophobicContact CB-CD2 4.11Å; M369-F399 HydrophobicContact CB-CE2 3.63Å; M369-F399 HydrophobicContact CB-CZ 4.26Å; M369-F399 HydrophobicContact CG-CD2 4.01Å; M369-F399 HydrophobicContact CG-CE2 4.01Å; L374-F399 HydrophobicContact CD1-CD1 4.42Å; L374-F399 HydrophobicContact CD1-CE1 3.54Å; L374-F399 HydrophobicContact CD1-CZ 3.65Å; L374-F399 HydrophobicContact CD2-CD1 3.64Å; L374-F399 HydrophobicContact CD2-CD2 4.34Å; L374-F399 HydrophobicContact CD2-CE1 3.58Å; L374-F399 HydrophobicContact CD2-CE2 4.31Å; L374-F399 HydrophobicContact CD2-CG 4.02Å; L374-F399 HydrophobicContact CD2-CZ 3.95Å; L374-F399 HydrophobicContact CG-CE1 4.23Å; L374-F399 HydrophobicContact CG-CZ 4.4Å; C395-F399 WeakPolarHBondContact O-CB 3.46Å; C395-F399 PolarHBondContact O-N 3.4Å; C395-F399 VanDerWaalsContact O-N 3.11Å; L396-F399 PolarHBondContact O-N 2.98Å; F399-K401 PolarHBondContact O-N 2.88Å; F399-R402 PolarHBondContact O-N 3.41Å; F399-R402 VanDerWaalsContact O-N 3.17Å; F399-L403 HydrophobicContact CD1-CD1 3.93Å; F399-L403 HydrophobicContact CD1-CG 4.46Å; F399-L403 HydrophobicContact CE1-CD1 3.46Å; F399-L403 VanDerWaalsContact CE1-CD1 3.46Å; F399-L403 HydrophobicContact CE1-CG 4.14Å; F399-L403 HydrophobicContact CZ-CD1 3.89Å; F399-L403 HydrophobicContact CZ-CD2 4.18Å; F399-L403 HydrophobicContact CZ-CG 4.19Å; F399-L403 PolarHBondContact O-N 2.95Å; F399-Y416 HydrophobicContact CE1-CD1 4.2Å; F399-Y416 HydrophobicContact CE1-CE1 4.23Å; F399-Y416 HydrophobicContact CZ-CE1 4.36Å; F399-I419 HydrophobicContact CD1-CD1 3.78Å; F399-I419 HydrophobicContact CE1-CD1 3.98Å |
| 400 | Y | 92.3 | Very high | 87.2 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 9% | 0.09 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 177.5 | -176.3 | -95.8 | 0 | 0 | 0 | 112.2 | L396 R402 L403 V404 I419 K420 L446 | L396-Y400 WeakPolarHBondContact O-CB 3.35Å; L396-Y400 PolarHBondContact O-N 3.29Å; Y400-R402 PolarHBondContact O-N 2.78Å; Y400-L403 PolarHBondContact O-N 2.94Å; Y400-L403 VanDerWaalsContact O-N 3.12Å; Y400-V404 HydrophobicContact CD1-CG2 4.26Å; Y400-V404 HydrophobicContact CE1-CG2 3.8Å; Y400-V404 HydrophobicContact CE2-CG2 4.28Å; Y400-V404 PolarHBondContact O-N 3.17Å; Y400-V404 VanDerWaalsContact O-N 3.11Å; Y400-I419 HydrophobicContact CD2-CB 4.19Å; Y400-I419 HydrophobicContact CD2-CG2 4.24Å; Y400-I419 HydrophobicContact CG-CG2 4.39Å; Y400-K420 HydrophobicContact CE2-CB 4.34Å; Y400-L446 HydrophobicContact CD1-CD2 3.79Å; Y400-L446 HydrophobicContact CE1-CD2 3.74Å |
| 401 | K | 89.9 | Confident | 86.1 | Confident | 82 Ų | 82 | 51 Ų | 51 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -37.2 | 176.8 | -172.7 | 173.5 | -170.6 | 161.7 | 0 | 112 | S397 F399 S405 T444 C448 | S397-K401 VanDerWaalsContact O-CB 3.29Å; S397-K401 WeakPolarHBondContact O-CB 3.49Å; S397-K401 PolarHBondContact O-N 2.83Å; F399-K401 PolarHBondContact O-N 2.88Å; K401-S405 WeakPolarHBondContact O-CB 3.37Å; K401-S405 PolarHBondContact O-N 3.32Å; K401-S405 PolarHBondContact O-OG 3.34Å; K401-T444 PolarHBondContact NZ-O 3.35Å; K401-C448 WeakPolarHBondContact CE-SG 3.35Å; K401-C448 PolarHBondContact NZ-SG 3.04Å |
| 402 | R | 88.4 | Confident | 85.1 | Confident | 115 Ų | 115 | 50.4 Ų | 50.4 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.7 | -38.1 | 177.3 | -171.8 | 57.4 | 172.4 | -176 | 1.2 | 112.7 | T366 N398 F399 Y400 S405 S406 | T366-R402 HydrophobicContact CG2-CB 4.13Å; T366-R402 HydrophobicContact CG2-CG 3.62Å; N398-R402 WeakPolarHBondContact O-CB 3.09Å; N398-R402 PolarHBondContact O-N 3.42Å; N398-R402 VanDerWaalsContact O-N 3.11Å; F399-R402 PolarHBondContact O-N 3.41Å; F399-R402 VanDerWaalsContact O-N 3.17Å; Y400-R402 PolarHBondContact O-N 2.78Å; R402-S405 PolarHBondContact O-N 2.65Å; R402-S406 WeakPolarHBondContact O-CB 3.28Å; R402-S406 PolarHBondContact O-OG 2.94Å; R402-S406 VanDerWaalsContact O-OG 3.04Å |
| 403 | L | 85.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -54.4 | 174.9 | -71.2 | 175.8 | 0 | 0 | 0 | 111.8 | F399 Y400 S405 S406 S407 I412 Y416 | F399-L403 HydrophobicContact CD1-CD1 3.93Å; F399-L403 HydrophobicContact CD1-CG 4.46Å; F399-L403 HydrophobicContact CE1-CD1 3.46Å; F399-L403 VanDerWaalsContact CE1-CD1 3.46Å; F399-L403 HydrophobicContact CE1-CG 4.14Å; F399-L403 HydrophobicContact CZ-CD1 3.89Å; F399-L403 HydrophobicContact CZ-CD2 4.18Å; F399-L403 HydrophobicContact CZ-CG 4.19Å; F399-L403 PolarHBondContact O-N 2.95Å; Y400-L403 PolarHBondContact O-N 2.94Å; Y400-L403 VanDerWaalsContact O-N 3.12Å; L403-S405 PolarHBondContact O-N 3.11Å; L403-S405 VanDerWaalsContact O-N 3.11Å; L403-S406 PolarHBondContact O-N 3.46Å; L403-S407 PolarHBondContact O-N 3.2Å; L403-I412 HydrophobicContact CB-CD1 4.22Å; L403-I412 HydrophobicContact CB-CG1 4.37Å; L403-I412 HydrophobicContact CB-CG2 4.21Å; L403-I412 HydrophobicContact CD1-CG2 4.37Å; L403-I412 WeakPolarHBondContact O-CD1 3.46Å; L403-Y416 HydrophobicContact CD1-CD1 4.44Å; L403-Y416 HydrophobicContact CD1-CD2 3.46Å; L403-Y416 VanDerWaalsContact CD1-CD2 3.46Å; L403-Y416 HydrophobicContact CD1-CE2 3.93Å; L403-Y416 HydrophobicContact CD1-CG 3.74Å; L403-Y416 HydrophobicContact CD2-CE2 4.25Å |
| 404 | V | 82.4 | Confident | 83.5 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -22.7 | -180 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | Y400 S406 I412 | Y400-V404 HydrophobicContact CD1-CG2 4.26Å; Y400-V404 HydrophobicContact CE1-CG2 3.8Å; Y400-V404 HydrophobicContact CE2-CG2 4.28Å; Y400-V404 PolarHBondContact O-N 3.17Å; Y400-V404 VanDerWaalsContact O-N 3.11Å; V404-S406 VanDerWaalsContact C-N 3.32Å; V404-I412 HydrophobicContact CG2-CD1 4.37Å; V404-I412 HydrophobicContact CG2-CG2 4.5Å |
| 405 | S | 79.8 | Confident | 83 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.8 | 173.8 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | K401 R402 L403 | K401-S405 WeakPolarHBondContact O-CB 3.37Å; K401-S405 PolarHBondContact O-N 3.32Å; K401-S405 PolarHBondContact O-OG 3.34Å; R402-S405 PolarHBondContact O-N 2.65Å; L403-S405 PolarHBondContact O-N 3.11Å; L403-S405 VanDerWaalsContact O-N 3.11Å |
| 406 | S | 73.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 62 Ų | 62 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | -7.3 | -164.4 | -63.6 | 0 | 0 | 0 | 0 | 116.1 | R402 L403 V404 | R402-S406 WeakPolarHBondContact O-CB 3.28Å; R402-S406 PolarHBondContact O-OG 2.94Å; R402-S406 VanDerWaalsContact O-OG 3.04Å; L403-S406 PolarHBondContact O-N 3.46Å; V404-S406 VanDerWaalsContact C-N 3.32Å |
| 407 | S | 66.9 | Low | 82.3 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -153.8 | 158.6 | -176.2 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | L403 I412 | L403-S407 PolarHBondContact O-N 3.2Å; S407-I412 VanDerWaalsContact O-CD1 3.3Å; S407-I412 WeakPolarHBondContact O-CD1 3.49Å |
| 408 | P | 64.8 | Low | 82.2 | Confident | 90 Ų | 90 | 65.5 Ų | 65.5 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | trans | -66.8 | 145.5 | 177.5 | 28.3 | -35.4 | 0 | 0 | 0 | 111.9 | E410 I412 | P408-E410 VanDerWaalsContact C-N 3.34Å; P408-E410 PolarHBondContact O-N 2.96Å; P408-I412 WeakPolarHBondContact O-CG1 3.41Å | ||
| 409 | D | 68.3 | Low | 82.3 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -34.7 | -168.5 | -64.6 | -66.3 | 0 | 0 | 0 | 114.1 | I412 D413 | D409-I412 WeakPolarHBondContact O-CB 3.48Å; D409-I412 PolarHBondContact O-N 3.35Å; D409-D413 WeakPolarHBondContact O-CB 3.3Å; D409-D413 PolarHBondContact O-N 3.2Å |
| 410 | E | 71.6 | Confident | 82.3 | Confident | 171 Ų | 171 | 63.4 Ų | 63.4 | 80% | 0.799 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | -175.8 | -62.6 | -178.5 | 151.4 | 0 | 0 | 113.2 | P408 I412 D413 A414 | P408-E410 VanDerWaalsContact C-N 3.34Å; P408-E410 PolarHBondContact O-N 2.96Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 2.91Å; E410-D413 PolarHBondContact O-N 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.49Å; E410-A414 PolarHBondContact O-N 3.42Å |
| 411 | E | 74.8 | Confident | 82.4 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 66% | 0.659 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67 | -37.5 | 177.5 | -168.5 | -171 | 168.4 | 0 | 0 | 111.1 | D413 K415 | E411-D413 VanDerWaalsContact C-N 3.32Å; E411-D413 PolarHBondContact O-N 2.59Å; E411-K415 PolarHBondContact O-N 3.5Å |
| 412 | I | 77 | Confident | 82.7 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.1 | -63 | 169 | 0 | 0 | 0 | 109.9 | L403 V404 S407 P408 D409 E410 Y416 G417 | L403-I412 HydrophobicContact CB-CD1 4.22Å; L403-I412 HydrophobicContact CB-CG1 4.37Å; L403-I412 HydrophobicContact CB-CG2 4.21Å; L403-I412 HydrophobicContact CD1-CG2 4.37Å; L403-I412 WeakPolarHBondContact O-CD1 3.46Å; V404-I412 HydrophobicContact CG2-CD1 4.37Å; V404-I412 HydrophobicContact CG2-CG2 4.5Å; S407-I412 VanDerWaalsContact O-CD1 3.3Å; S407-I412 WeakPolarHBondContact O-CD1 3.49Å; P408-I412 WeakPolarHBondContact O-CG1 3.41Å; D409-I412 WeakPolarHBondContact O-CB 3.48Å; D409-I412 PolarHBondContact O-N 3.35Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 2.91Å; I412-Y416 CarbonylContact O-C 3.58Å; I412-Y416 VanDerWaalsContact O-CA 3.25Å; I412-Y416 WeakPolarHBondContact O-CA 3.48Å; I412-Y416 VanDerWaalsContact O-CB 3.29Å; I412-Y416 WeakPolarHBondContact O-CB 3.16Å; I412-Y416 PolarHBondContact O-N 2.86Å; I412-G417 PolarHBondContact O-N 3.39Å |
| 413 | D | 79.5 | Confident | 83.1 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.9 | -40.6 | -174.2 | -123.4 | 37 | 0 | 0 | 0 | 112.9 | D409 E410 E411 K415 G417 K420 | D409-D413 WeakPolarHBondContact O-CB 3.3Å; D409-D413 PolarHBondContact O-N 3.2Å; E410-D413 PolarHBondContact O-N 3.29Å; E411-D413 VanDerWaalsContact C-N 3.32Å; E411-D413 PolarHBondContact O-N 2.59Å; D413-K415 VanDerWaalsContact C-N 3.3Å; D413-K415 PolarHBondContact O-N 3.28Å; D413-G417 VanDerWaalsContact O-CA 3.3Å; D413-G417 WeakPolarHBondContact O-CA 3.34Å; D413-G417 PolarHBondContact O-N 2.93Å; D413-K420 VanDerWaalsContact OD1-CE 3.29Å; D413-K420 WeakPolarHBondContact OD1-CE 3.31Å; D413-K420 IonicContact OD1-NZ 3.56Å; D413-K420 PolarHBondContact OD1-NZ 3.3Å; D413-K420 IonicContact OD2-NZ 2.9Å; D413-K420 PolarHBondContact OD2-NZ 2.93Å |
| 414 | A | 82.9 | Confident | 83.5 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 78% | 0.777 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.9 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E410 | E410-A414 WeakPolarHBondContact O-CB 3.49Å; E410-A414 PolarHBondContact O-N 3.42Å |
| 415 | K | 86.7 | Confident | 84.1 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -91.5 | -40.5 | -177.6 | -166.3 | 175.3 | -179.9 | -148.8 | 0 | 114.3 | D371 E411 D413 | D371-K415 VanDerWaalsContact CG-NZ 3.3Å; D371-K415 WeakPolarHBondContact OD1-CE 3.31Å; D371-K415 IonicContact OD1-NZ 2.68Å; D371-K415 PolarHBondContact OD1-NZ 3.33Å; D371-K415 WeakPolarHBondContact OD2-CE 3.47Å; D371-K415 IonicContact OD2-NZ 3.63Å; D371-K415 PolarHBondContact OD2-NZ 2.83Å; E411-K415 PolarHBondContact O-N 3.5Å; D413-K415 VanDerWaalsContact C-N 3.3Å; D413-K415 PolarHBondContact O-N 3.28Å |
| 416 | Y | 90.4 | Very high | 84.6 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -120.5 | 1.5 | -168 | -52.2 | -67.8 | 0 | 0 | 0 | 114.7 | L374 F399 L403 I412 W418 I419 | L374-Y416 HydrophobicContact CD1-CD1 4.22Å; L374-Y416 HydrophobicContact CD1-CE1 3.76Å; F399-Y416 HydrophobicContact CE1-CD1 4.2Å; F399-Y416 HydrophobicContact CE1-CE1 4.23Å; F399-Y416 HydrophobicContact CZ-CE1 4.36Å; L403-Y416 HydrophobicContact CD1-CD1 4.44Å; L403-Y416 HydrophobicContact CD1-CD2 3.46Å; L403-Y416 VanDerWaalsContact CD1-CD2 3.46Å; L403-Y416 HydrophobicContact CD1-CE2 3.93Å; L403-Y416 HydrophobicContact CD1-CG 3.74Å; L403-Y416 HydrophobicContact CD2-CE2 4.25Å; I412-Y416 CarbonylContact O-C 3.58Å; I412-Y416 VanDerWaalsContact O-CA 3.25Å; I412-Y416 WeakPolarHBondContact O-CA 3.48Å; I412-Y416 VanDerWaalsContact O-CB 3.29Å; I412-Y416 WeakPolarHBondContact O-CB 3.16Å; I412-Y416 PolarHBondContact O-N 2.86Å; Y416-W418 PolarHBondContact O-N 2.96Å; Y416-I419 HydrophobicContact CD1-CD1 4.38Å; Y416-I419 WeakPolarHBondContact O-CB 3.38Å; Y416-I419 WeakPolarHBondContact O-CG1 3.29Å; Y416-I419 PolarHBondContact O-N 3.29Å |
| 417 | G | 88.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -11.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | I412 D413 I419 K420 N421 | I412-G417 PolarHBondContact O-N 3.39Å; D413-G417 VanDerWaalsContact O-CA 3.3Å; D413-G417 WeakPolarHBondContact O-CA 3.34Å; D413-G417 PolarHBondContact O-N 2.93Å; G417-I419 PolarHBondContact O-N 2.87Å; G417-K420 WeakPolarHBondContact O-CG 3.49Å; G417-N421 PolarHBondContact O-ND2 3.13Å |
| 418 | W | 94.1 | Very high | 86.4 | Confident | 65 Ų | 65 | 52 Ų | 52 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -20.5 | 167.5 | 69.7 | -95.4 | 0 | 0 | 0 | 113.6 | L374 K378 L396 Y416 R422 | L374-W418 HydrophobicContact CB-CZ2 4.2Å; K378-W418 HydrophobicContact CB-CH2 3.85Å; K378-W418 HydrophobicContact CB-CZ3 3.81Å; K378-W418 HydrophobicContact CD-CE3 3.81Å; K378-W418 HydrophobicContact CD-CH2 3.81Å; K378-W418 HydrophobicContact CD-CZ2 4.49Å; K378-W418 HydrophobicContact CD-CZ3 3.42Å; K378-W418 VanDerWaalsContact CD-CZ3 3.42Å; K378-W418 HydrophobicContact CG-CE3 4.3Å; K378-W418 HydrophobicContact CG-CH2 4.09Å; K378-W418 HydrophobicContact CG-CZ3 3.58Å; K378-W418 VanDerWaalsContact NZ-CE3 3.35Å; L396-W418 HydrophobicContact CD1-CH2 4.42Å; L396-W418 HydrophobicContact CD1-CZ3 4.21Å; L396-W418 HydrophobicContact CD2-CH2 4.11Å; Y416-W418 PolarHBondContact O-N 2.96Å; W418-R422 HydrophobicContact CE3-CB 4.1Å; W418-R422 HydrophobicContact CZ3-CB 4.31Å; W418-R422 HydrophobicContact CZ3-CG 4.48Å; W418-R422 WeakPolarHBondContact O-CB 3.31Å; W418-R422 PolarHBondContact O-N 3.11Å |
| 419 | I | 95.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.9 | -51.5 | -174.7 | -63.4 | 179.4 | 0 | 0 | 0 | 110.9 | L396 F399 Y400 Y416 G417 N421 R422 L423 | L396-I419 HydrophobicContact CB-CG2 4.07Å; F399-I419 HydrophobicContact CD1-CD1 3.78Å; F399-I419 HydrophobicContact CE1-CD1 3.98Å; Y400-I419 HydrophobicContact CD2-CB 4.19Å; Y400-I419 HydrophobicContact CD2-CG2 4.24Å; Y400-I419 HydrophobicContact CG-CG2 4.39Å; Y416-I419 HydrophobicContact CD1-CD1 4.38Å; Y416-I419 WeakPolarHBondContact O-CB 3.38Å; Y416-I419 WeakPolarHBondContact O-CG1 3.29Å; Y416-I419 PolarHBondContact O-N 3.29Å; G417-I419 PolarHBondContact O-N 2.87Å; I419-N421 VanDerWaalsContact C-N 3.3Å; I419-N421 PolarHBondContact O-N 3.02Å; I419-R422 CarbonylContact O-C 3.53Å; I419-R422 PolarHBondContact O-N 3.21Å; I419-L423 HydrophobicContact CG2-CD1 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.15Å; I419-L423 WeakPolarHBondContact O-CG 3.3Å; I419-L423 PolarHBondContact O-N 3.39Å |
| 420 | K | 93.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.5 | -45.9 | 176.3 | 58.3 | -172.2 | 178.2 | -166 | 0 | 112.2 | Y400 D413 G417 R422 L423 L424 L446 L463 S466 V467 | Y400-K420 HydrophobicContact CE2-CB 4.34Å; D413-K420 VanDerWaalsContact OD1-CE 3.29Å; D413-K420 WeakPolarHBondContact OD1-CE 3.31Å; D413-K420 IonicContact OD1-NZ 3.56Å; D413-K420 PolarHBondContact OD1-NZ 3.3Å; D413-K420 IonicContact OD2-NZ 2.9Å; D413-K420 PolarHBondContact OD2-NZ 2.93Å; G417-K420 WeakPolarHBondContact O-CG 3.49Å; K420-R422 PolarHBondContact O-N 3Å; K420-L423 PolarHBondContact O-N 2.69Å; K420-L424 WeakPolarHBondContact O-CG 3.46Å; K420-L424 PolarHBondContact O-N 3Å; K420-L446 HydrophobicContact CB-CD2 3.99Å; K420-L463 HydrophobicContact CB-CD1 4.1Å; K420-L463 HydrophobicContact CD-CD1 4.01Å; K420-L463 HydrophobicContact CG-CD1 4.46Å; K420-S466 WeakPolarHBondContact CE-OG 3.31Å; K420-S466 VanDerWaalsContact NZ-CB 3.28Å; K420-S466 PolarHBondContact NZ-OG 2.85Å; K420-V467 HydrophobicContact CD-CG1 4.38Å; K420-V467 HydrophobicContact CG-CG1 4.35Å |
| 421 | N | 95.3 | Very high | 87.6 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 173.8 | -71.1 | -58.1 | 0 | 0 | 0 | 111.7 | G417 I419 L423 L424 Y425 V467 D468 A471 | G417-N421 PolarHBondContact O-ND2 3.13Å; I419-N421 VanDerWaalsContact C-N 3.3Å; I419-N421 PolarHBondContact O-N 3.02Å; N421-L423 PolarHBondContact O-N 3.06Å; N421-L424 PolarHBondContact O-N 3.49Å; N421-Y425 HydrophobicContact CB-CE1 4.39Å; N421-Y425 WeakPolarHBondContact O-CD1 3.5Å; N421-Y425 VanDerWaalsContact O-CG 3.27Å; N421-Y425 PolarHBondContact O-N 3.28Å; N421-V467 VanDerWaalsContact OD1-CA 3.3Å; N421-V467 WeakPolarHBondContact OD1-CA 3.36Å; N421-V467 WeakPolarHBondContact OD1-CB 3.26Å; N421-D468 WeakPolarHBondContact CB-OD2 3.23Å; N421-D468 VanDerWaalsContact CG-OD2 3.29Å; N421-D468 PolarHBondContact OD1-N 2.8Å; N421-D468 PolarHBondContact OD1-OD2 3.22Å; N421-A471 HydrophobicContact CB-CB 4.43Å; N421-A471 VanDerWaalsContact OD1-CB 3.24Å; N421-A471 WeakPolarHBondContact OD1-CB 3.47Å |
| 422 | R | 95.7 | Very high | 87.8 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -32.7 | 179.7 | -177.8 | 62.5 | -149.9 | 136.5 | 14.8 | 113.6 | K378 T381 L382 W418 I419 K420 Y425 | K378-R422 HydrophobicContact CG-CG 4.3Å; T381-R422 PolarHBondContact O-NH2 3.38Å; T381-R422 VanDerWaalsContact O-NH2 3.08Å; T381-R422 PolarHBondContact OG1-NE 3.49Å; T381-R422 PolarHBondContact OG1-NH2 3.24Å; L382-R422 VanDerWaalsContact CD2-NH2 3.27Å; W418-R422 HydrophobicContact CE3-CB 4.1Å; W418-R422 HydrophobicContact CZ3-CB 4.31Å; W418-R422 HydrophobicContact CZ3-CG 4.48Å; W418-R422 WeakPolarHBondContact O-CB 3.31Å; W418-R422 PolarHBondContact O-N 3.11Å; I419-R422 CarbonylContact O-C 3.53Å; I419-R422 PolarHBondContact O-N 3.21Å; K420-R422 PolarHBondContact O-N 3Å; R422-Y425 VanDerWaalsContact NH1-CB 3.29Å; R422-Y425 PolarHBondContact O-N 3.47Å |
| 423 | L | 96.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 173.9 | -70.4 | 170.9 | 0 | 0 | 0 | 110.2 | V393 L396 I419 K420 N421 Y425 S426 I441 L446 | V393-L423 HydrophobicContact CB-CD2 4.49Å; V393-L423 HydrophobicContact CG1-CD2 3.9Å; V393-L423 WeakPolarHBondContact O-CD2 3.48Å; L396-L423 HydrophobicContact CB-CD2 3.96Å; I419-L423 HydrophobicContact CG2-CD1 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.15Å; I419-L423 WeakPolarHBondContact O-CG 3.3Å; I419-L423 PolarHBondContact O-N 3.39Å; K420-L423 PolarHBondContact O-N 2.69Å; N421-L423 PolarHBondContact O-N 3.06Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-Y425 PolarHBondContact O-N 2.93Å; L423-S426 WeakPolarHBondContact O-CB 3.14Å; L423-S426 PolarHBondContact O-N 2.86Å; L423-S426 PolarHBondContact O-OG 2.94Å; L423-I441 HydrophobicContact CB-CG2 4.33Å; L423-I441 HydrophobicContact CD1-CG2 4.2Å; L423-I441 HydrophobicContact CD2-CG2 4.25Å; L423-I441 HydrophobicContact CG-CG2 4.5Å; L423-L446 HydrophobicContact CD1-CD2 4Å |
| 424 | L | 95.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -35.2 | 175.6 | -69.5 | 169.3 | 0 | 0 | 0 | 112.7 | K420 N421 S426 F427 C438 L446 V467 A471 V474 L475 | K420-L424 WeakPolarHBondContact O-CG 3.46Å; K420-L424 PolarHBondContact O-N 3Å; N421-L424 PolarHBondContact O-N 3.49Å; L424-S426 PolarHBondContact O-N 2.91Å; L424-F427 WeakPolarHBondContact O-CB 3.21Å; L424-F427 PolarHBondContact O-N 2.56Å; L424-F427 VanDerWaalsContact O-N 3.08Å; L424-C438 PolarHBondContact O-SG 3.17Å; L424-L446 HydrophobicContact CD1-CD1 4.48Å; L424-L446 HydrophobicContact CD2-CD1 4.17Å; L424-L446 HydrophobicContact CG-CD1 4.09Å; L424-V467 HydrophobicContact CD1-CG1 3.91Å; L424-A471 HydrophobicContact CB-CB 3.99Å; L424-A471 HydrophobicContact CD1-CB 3.85Å; L424-V474 HydrophobicContact CB-CG1 4.4Å; L424-V474 HydrophobicContact CD2-CG1 4.25Å; L424-L475 HydrophobicContact CD1-CD1 4.33Å; L424-L475 HydrophobicContact CD1-CD2 4.07Å; L424-L475 HydrophobicContact CD1-CG 4.1Å; L424-L475 HydrophobicContact CD2-CD2 3.7Å; L424-L475 HydrophobicContact CD2-CG 4.38Å |
| 425 | Y | 93.8 | Very high | 88.8 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63 | -9.3 | 174 | -69.9 | 11.1 | 0 | 0 | 0 | 114.2 | N421 R422 L423 F427 Y428 D468 R470 A471 | N421-Y425 HydrophobicContact CB-CE1 4.39Å; N421-Y425 WeakPolarHBondContact O-CD1 3.5Å; N421-Y425 VanDerWaalsContact O-CG 3.27Å; N421-Y425 PolarHBondContact O-N 3.28Å; R422-Y425 VanDerWaalsContact NH1-CB 3.29Å; R422-Y425 PolarHBondContact O-N 3.47Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-Y425 PolarHBondContact O-N 2.93Å; Y425-F427 PolarHBondContact O-N 3.37Å; Y425-Y428 HydrophobicContact CD1-CE2 4.48Å; Y425-Y428 PolarHBondContact O-N 2.73Å; Y425-D468 PolarHBondContact OH-OD1 3.37Å; Y425-D468 PolarHBondContact OH-OD2 3.21Å; Y425-R470 HydrophobicContact CE1-CB 3.87Å; Y425-R470 PolarHBondContact OH-NE 3.03Å; Y425-R470 VanDerWaalsContact OH-NE 3.11Å; Y425-R470 PolarHBondContact OH-NH2 3.26Å; Y425-A471 HydrophobicContact CD1-CB 4.33Å; Y425-A471 HydrophobicContact CE1-CB 4.01Å |
| 426 | S | 90.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -60.7 | -29.1 | 171 | -50 | 0 | 0 | 0 | 0 | 111.4 | L423 L424 Y428 C429 | L423-S426 WeakPolarHBondContact O-CB 3.14Å; L423-S426 PolarHBondContact O-N 2.86Å; L423-S426 PolarHBondContact O-OG 2.94Å; L424-S426 PolarHBondContact O-N 2.91Å; S426-Y428 PolarHBondContact O-N 2.86Å; S426-C429 VanDerWaalsContact O-CB 3.29Å; S426-C429 WeakPolarHBondContact O-CB 3.33Å; S426-C429 PolarHBondContact O-N 3.06Å; S426-C429 PolarHBondContact O-SG 2.82Å; S426-C429 VanDerWaalsContact O-SG 3.36Å |
| 427 | F | 90.1 | Very high | 88.8 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -61.2 | -25.3 | 177.8 | -166.4 | -87.5 | 0 | 0 | 0 | 113.8 | L424 Y425 C429 R435 C438 V474 T477 I478 | L424-F427 WeakPolarHBondContact O-CB 3.21Å; L424-F427 PolarHBondContact O-N 2.56Å; L424-F427 VanDerWaalsContact O-N 3.08Å; Y425-F427 PolarHBondContact O-N 3.37Å; F427-C429 VanDerWaalsContact C-N 3.25Å; F427-C429 PolarHBondContact O-N 3Å; F427-R435 HydrophobicContact CB-CG 4.33Å; F427-R435 HydrophobicContact CD1-CG 4.25Å; F427-R435 HydrophobicContact CD2-CB 3.97Å; F427-R435 HydrophobicContact CD2-CG 3.65Å; F427-R435 HydrophobicContact CE2-CB 4.1Å; F427-R435 HydrophobicContact CE2-CG 3.94Å; F427-R435 HydrophobicContact CG-CG 3.81Å; F427-R435 HydrophobicContact CZ-CG 4.36Å; F427-R435 WeakPolarHBondContact O-CD 3.39Å; F427-R435 WeakPolarHBondContact O-CG 3.44Å; F427-C438 HydrophobicContact CB-CB 4.23Å; F427-C438 HydrophobicContact CD2-CB 4.49Å; F427-V474 HydrophobicContact CB-CB 4.35Å; F427-V474 HydrophobicContact CB-CG1 3.49Å; F427-V474 VanDerWaalsContact CB-CG1 3.49Å; F427-V474 HydrophobicContact CB-CG2 3.87Å; F427-V474 HydrophobicContact CD1-CG1 4.24Å; F427-V474 HydrophobicContact CD1-CG2 4.2Å; F427-V474 HydrophobicContact CD2-CG1 4.08Å; F427-V474 HydrophobicContact CG-CG1 3.69Å; F427-V474 HydrophobicContact CG-CG2 4.27Å; F427-T477 HydrophobicContact CE1-CG2 3.85Å; F427-T477 HydrophobicContact CZ-CG2 3.88Å; F427-I478 HydrophobicContact CD2-CD1 4.28Å; F427-I478 HydrophobicContact CD2-CG1 4.2Å; F427-I478 HydrophobicContact CE2-CD1 4.45Å; F427-I478 HydrophobicContact CE2-CG1 3.88Å |
| 428 | Y | 87.4 | Confident | 89 | Confident | 124 Ų | 124 | 36.5 Ų | 36.5 | 49% | 0.486 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -79.8 | -1.2 | 175.8 | -65.5 | -60.5 | 0 | 0 | 0 | 114 | Y425 S426 R470 V474 | Y425-Y428 HydrophobicContact CD1-CE2 4.48Å; Y425-Y428 PolarHBondContact O-N 2.73Å; S426-Y428 PolarHBondContact O-N 2.86Å; Y428-R470 HydrophobicContact CE2-CB 4.18Å; Y428-R470 PolarHBondContact OH-O 2.59Å; Y428-V474 HydrophobicContact CD2-CG2 4.21Å; Y428-V474 HydrophobicContact CE1-CG2 4.34Å; Y428-V474 HydrophobicContact CE2-CG2 3.62Å |
| 429 | C | 83.3 | Confident | 88.8 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 10% | 0.095 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -73.4 | 141.3 | 172.3 | -60.6 | 0 | 0 | 0 | 0 | 110 | S426 F427 Q431 D434 | S426-C429 VanDerWaalsContact O-CB 3.29Å; S426-C429 WeakPolarHBondContact O-CB 3.33Å; S426-C429 PolarHBondContact O-N 3.06Å; S426-C429 PolarHBondContact O-SG 2.82Å; S426-C429 VanDerWaalsContact O-SG 3.36Å; F427-C429 VanDerWaalsContact C-N 3.25Å; F427-C429 PolarHBondContact O-N 3Å; C429-Q431 VanDerWaalsContact C-N 3.26Å; C429-Q431 PolarHBondContact O-N 3Å; C429-D434 HydrophobicContact CB-CB 3.59Å; C429-D434 VanDerWaalsContact CB-CG 3.48Å; C429-D434 VanDerWaalsContact CB-OD2 3.28Å; C429-D434 WeakPolarHBondContact CB-OD2 3.37Å |
| 430 | P | 71.1 | Confident | 88.6 | Confident | 122 Ų | 122 | 37.8 Ų | 37.8 | 79% | 0.792 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -73.9 | -12.4 | -169.2 | 29.1 | -36.6 | 0 | 0 | 0 | 114.4 | ||
| 431 | Q | 76.5 | Confident | 88.7 | Confident | 75 Ų | 75 | 38 Ų | 38 | 35% | 0.35 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -83.5 | 158.2 | 179.3 | -46.2 | -159.7 | -109.3 | 0 | 0 | 110.7 | C429 E433 D434 | C429-Q431 VanDerWaalsContact C-N 3.26Å; C429-Q431 PolarHBondContact O-N 3Å; Q431-E433 WeakPolarHBondContact CB-OE2 3.47Å; Q431-D434 WeakPolarHBondContact CB-OD2 3.39Å |
| 432 | V | 78.7 | Confident | 88.6 | Confident | 28 Ų | 28 | 37.2 Ų | 37.2 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.1 | -42.1 | -179.4 | 173.3 | 0 | 0 | 0 | 0 | 109.7 | D434 R435 L436 S520 C521 | V432-D434 PolarHBondContact O-N 3.38Å; V432-R435 WeakPolarHBondContact O-CB 3.19Å; V432-R435 PolarHBondContact O-N 3.19Å; V432-L436 HydrophobicContact CG1-CD1 3.82Å; V432-L436 HydrophobicContact CG1-CG 4.13Å; V432-L436 PolarHBondContact O-N 3.49Å; V432-S520 WeakPolarHBondContact CG1-O 3.47Å; V432-S520 WeakPolarHBondContact CG2-O 3.03Å; V432-C521 HydrophobicContact CG2-CB 3.88Å |
| 433 | E | 84.2 | Confident | 88.5 | Confident | 86 Ų | 86 | 36.3 Ų | 36.3 | 40% | 0.402 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.8 | -25.7 | -169.3 | -52.4 | 93.7 | 134.7 | 0 | 0 | 111.7 | F386 Q431 L437 | F386-E433 HydrophobicContact CD1-CB 4.09Å; F386-E433 HydrophobicContact CD2-CB 4.06Å; F386-E433 HydrophobicContact CE1-CB 3.64Å; F386-E433 HydrophobicContact CE1-CG 4.44Å; F386-E433 VanDerWaalsContact CE2-C 3.44Å; F386-E433 HydrophobicContact CE2-CB 3.62Å; F386-E433 WeakPolarHBondContact CE2-O 3.23Å; F386-E433 HydrophobicContact CG-CB 4.3Å; F386-E433 HydrophobicContact CZ-CB 3.39Å; Q431-E433 WeakPolarHBondContact CB-OE2 3.47Å; E433-L437 WeakPolarHBondContact O-CB 3.41Å; E433-L437 PolarHBondContact O-N 3.48Å; E433-L437 VanDerWaalsContact O-N 3.07Å |
| 434 | D | 89.3 | Confident | 88.3 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.3 | -33.9 | 170.6 | -61.4 | -66.6 | 0 | 0 | 0 | 112.7 | F386 R389 C429 Q431 V432 C438 | F386-D434 WeakPolarHBondContact CD2-OD1 3.33Å; R389-D434 IonicContact CZ-OD1 2.75Å; R389-D434 IonicContact CZ-OD2 3.57Å; R389-D434 IonicContact NE-OD1 3.41Å; R389-D434 PolarHBondContact NE-OD1 3.26Å; R389-D434 IonicContact NE-OD2 3.56Å; R389-D434 PolarHBondContact NE-OD2 2.72Å; R389-D434 VanDerWaalsContact NH2-CG 3.32Å; R389-D434 IonicContact NH2-OD1 3.5Å; R389-D434 PolarHBondContact NH2-OD1 2.75Å; R389-D434 VanDerWaalsContact NH2-OD1 3.14Å; R389-D434 IonicContact NH2-OD2 2.7Å; R389-D434 PolarHBondContact NH2-OD2 3.22Å; C429-D434 HydrophobicContact CB-CB 3.59Å; C429-D434 VanDerWaalsContact CB-CG 3.48Å; C429-D434 VanDerWaalsContact CB-OD2 3.28Å; C429-D434 WeakPolarHBondContact CB-OD2 3.37Å; Q431-D434 WeakPolarHBondContact CB-OD2 3.39Å; V432-D434 PolarHBondContact O-N 3.38Å; D434-C438 WeakPolarHBondContact O-CB 3.39Å; D434-C438 PolarHBondContact O-N 3.41Å |
| 435 | R | 86.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.9 | -43.9 | 179.7 | -77.3 | -178.5 | -79.7 | 159.5 | -4.8 | 111.8 | F427 V432 L437 C438 H439 C521 | F427-R435 HydrophobicContact CB-CG 4.33Å; F427-R435 HydrophobicContact CD1-CG 4.25Å; F427-R435 HydrophobicContact CD2-CB 3.97Å; F427-R435 HydrophobicContact CD2-CG 3.65Å; F427-R435 HydrophobicContact CE2-CB 4.1Å; F427-R435 HydrophobicContact CE2-CG 3.94Å; F427-R435 HydrophobicContact CG-CG 3.81Å; F427-R435 HydrophobicContact CZ-CG 4.36Å; F427-R435 WeakPolarHBondContact O-CD 3.39Å; F427-R435 WeakPolarHBondContact O-CG 3.44Å; V432-R435 WeakPolarHBondContact O-CB 3.19Å; V432-R435 PolarHBondContact O-N 3.19Å; R435-L437 VanDerWaalsContact C-N 3.29Å; R435-L437 PolarHBondContact O-N 3Å; R435-C438 WeakPolarHBondContact O-CB 3.44Å; R435-C438 PolarHBondContact O-N 2.95Å; R435-C438 VanDerWaalsContact O-N 3.17Å; R435-H439 PolarHBondContact O-N 2.87Å; R435-C521 PolarHBondContact NH1-SG 3.33Å; R435-C521 VanDerWaalsContact NH2-CB 3.29Å; R435-C521 PolarHBondContact NH2-SG 3.41Å; R435-C521 VanDerWaalsContact NH2-SG 3.4Å |
| 436 | L | 85.5 | Confident | 88 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 170.3 | -63.6 | 178.5 | 0 | 0 | 0 | 111 | V432 H439 K440 | V432-L436 HydrophobicContact CG1-CD1 3.82Å; V432-L436 HydrophobicContact CG1-CG 4.13Å; V432-L436 PolarHBondContact O-N 3.49Å; L436-H439 PolarHBondContact O-N 3Å; L436-K440 WeakPolarHBondContact O-CB 3.44Å; L436-K440 PolarHBondContact O-N 3.2Å |
| 437 | L | 91.3 | Very high | 88.1 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 172.6 | -179.3 | 64.9 | 0 | 0 | 0 | 112.1 | F386 R390 V393 I394 E433 R435 H439 K440 I441 | F386-L437 HydrophobicContact CE2-CD2 4.49Å; R390-L437 HydrophobicContact CB-CD2 3.98Å; R390-L437 HydrophobicContact CG-CD1 4.46Å; R390-L437 HydrophobicContact CG-CD2 3.98Å; V393-L437 HydrophobicContact CB-CD2 3.93Å; V393-L437 HydrophobicContact CG1-CD2 3.76Å; V393-L437 HydrophobicContact CG1-CG 4Å; V393-L437 HydrophobicContact CG2-CD2 4.48Å; I394-L437 HydrophobicContact CG1-CD1 4.37Å; E433-L437 WeakPolarHBondContact O-CB 3.41Å; E433-L437 PolarHBondContact O-N 3.48Å; E433-L437 VanDerWaalsContact O-N 3.07Å; R435-L437 VanDerWaalsContact C-N 3.29Å; R435-L437 PolarHBondContact O-N 3Å; L437-H439 VanDerWaalsContact C-N 3.33Å; L437-H439 PolarHBondContact O-N 3.14Å; L437-K440 PolarHBondContact O-N 3.41Å; L437-I441 HydrophobicContact CD1-CD1 4.32Å; L437-I441 HydrophobicContact CD1-CG1 3.93Å; L437-I441 HydrophobicContact CG-CG1 4.14Å; L437-I441 WeakPolarHBondContact O-CB 3.4Å; L437-I441 WeakPolarHBondContact O-CG1 3.12Å; L437-I441 PolarHBondContact O-N 3.01Å |
| 438 | C | 93.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 178.3 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | L424 F427 D434 R435 I441 L442 | L424-C438 PolarHBondContact O-SG 3.17Å; F427-C438 HydrophobicContact CB-CB 4.23Å; F427-C438 HydrophobicContact CD2-CB 4.49Å; D434-C438 WeakPolarHBondContact O-CB 3.39Å; D434-C438 PolarHBondContact O-N 3.41Å; R435-C438 WeakPolarHBondContact O-CB 3.44Å; R435-C438 PolarHBondContact O-N 2.95Å; R435-C438 VanDerWaalsContact O-N 3.17Å; C438-I441 PolarHBondContact O-N 3.48Å; C438-L442 PolarHBondContact O-N 3.29Å |
| 439 | H | 90.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 175.2 | 175.6 | -81.5 | 0 | 0 | 0 | 112.1 | R435 L436 L437 I441 L442 N443 Q482 E587 W588 | R435-H439 PolarHBondContact O-N 2.87Å; L436-H439 PolarHBondContact O-N 3Å; L437-H439 VanDerWaalsContact C-N 3.33Å; L437-H439 PolarHBondContact O-N 3.14Å; H439-I441 PolarHBondContact O-N 2.87Å; H439-L442 WeakPolarHBondContact O-CB 3.43Å; H439-L442 PolarHBondContact O-N 3.32Å; H439-L442 VanDerWaalsContact O-N 3.13Å; H439-N443 PolarHBondContact CE1-ND2 3.49Å; H439-N443 VanDerWaalsContact CE1-ND2 3.29Å; H439-N443 PolarHBondContact O-N 3.29Å; H439-N443 PolarHBondContact O-OD1 3.24Å; H439-Q482 PolarHBondContact NE2-NE2 2.87Å; H439-E587 PolarHBondContact CE1-O 2.86Å; H439-W588 HydrophobicContact CB-CE3 4.21Å; H439-W588 HydrophobicContact CB-CZ3 3.81Å; H439-W588 AromaticContact CD2-CE3 3.49Å; H439-W588 VanDerWaalsContact CD2-CE3 3.49Å; H439-W588 AromaticContact CD2-CZ3 3.42Å; H439-W588 VanDerWaalsContact CD2-CZ3 3.42Å; H439-W588 WeakPolarHBondContact CD2-CZ3 3.48Å; H439-W588 AromaticContact CG-CE3 3.71Å; H439-W588 AromaticContact CG-CZ3 3.68Å; H439-W588 AromaticContact NE2-CE3 3.83Å |
| 440 | K | 91.5 | Very high | 88.6 | Confident | 86 Ų | 86 | 37.1 Ų | 37.1 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -34.3 | 175.1 | -159.7 | 175.2 | -164.2 | 66.1 | 0 | 112.3 | L436 L437 T444 E587 | L436-K440 WeakPolarHBondContact O-CB 3.44Å; L436-K440 PolarHBondContact O-N 3.2Å; L437-K440 PolarHBondContact O-N 3.41Å; K440-T444 HydrophobicContact CG-CG2 4.33Å; K440-T444 VanDerWaalsContact O-CB 3.29Å; K440-T444 WeakPolarHBondContact O-CB 3.47Å; K440-T444 VanDerWaalsContact O-CG2 3.23Å; K440-T444 WeakPolarHBondContact O-CG2 3.35Å; K440-T444 PolarHBondContact O-N 3.24Å; K440-T444 PolarHBondContact O-OG1 3.18Å; K440-E587 IonicContact NZ-OE1 2.67Å; K440-E587 PolarHBondContact NZ-OE1 2.94Å; K440-E587 IonicContact NZ-OE2 3.1Å; K440-E587 PolarHBondContact NZ-OE2 2.74Å |
| 441 | I | 94.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.2 | -36.1 | 177.7 | -67.7 | -72.3 | 0 | 0 | 0 | 112 | V393 I394 S397 L423 L437 C438 H439 S445 L446 | V393-I441 HydrophobicContact CG1-CD1 4.26Å; V393-I441 HydrophobicContact CG1-CG1 3.86Å; I394-I441 HydrophobicContact CG1-CD1 4.35Å; S397-I441 WeakPolarHBondContact OG-CD1 3.45Å; L423-I441 HydrophobicContact CB-CG2 4.33Å; L423-I441 HydrophobicContact CD1-CG2 4.2Å; L423-I441 HydrophobicContact CD2-CG2 4.25Å; L423-I441 HydrophobicContact CG-CG2 4.5Å; L437-I441 HydrophobicContact CD1-CD1 4.32Å; L437-I441 HydrophobicContact CD1-CG1 3.93Å; L437-I441 HydrophobicContact CG-CG1 4.14Å; L437-I441 WeakPolarHBondContact O-CB 3.4Å; L437-I441 WeakPolarHBondContact O-CG1 3.12Å; L437-I441 PolarHBondContact O-N 3.01Å; C438-I441 PolarHBondContact O-N 3.48Å; H439-I441 PolarHBondContact O-N 2.87Å; I441-S445 WeakPolarHBondContact O-CA 3.12Å; I441-S445 WeakPolarHBondContact O-CB 3.32Å; I441-S445 PolarHBondContact O-N 2.65Å; I441-L446 PolarHBondContact O-N 3.04Å; I441-L446 VanDerWaalsContact O-N 3.15Å |
| 442 | L | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -53.7 | -56.6 | 168.7 | 177.3 | 61.8 | 0 | 0 | 0 | 109.7 | C438 H439 T444 L446 V447 L463 L475 I478 L593 | C438-L442 PolarHBondContact O-N 3.29Å; H439-L442 WeakPolarHBondContact O-CB 3.43Å; H439-L442 PolarHBondContact O-N 3.32Å; H439-L442 VanDerWaalsContact O-N 3.13Å; L442-T444 PolarHBondContact O-N 2.69Å; L442-L446 HydrophobicContact CD1-CB 4.22Å; L442-L446 HydrophobicContact CD1-CD1 4.2Å; L442-L446 PolarHBondContact O-N 2.9Å; L442-V447 HydrophobicContact CD1-CG2 4.39Å; L442-V447 CarbonylContact O-C 3.47Å; L442-V447 PolarHBondContact O-N 2.98Å; L442-V447 VanDerWaalsContact O-O 3.04Å; L442-L463 HydrophobicContact CD1-CD2 3.66Å; L442-L475 HydrophobicContact CD1-CD2 3.84Å; L442-L475 HydrophobicContact CD2-CD2 3.93Å; L442-I478 HydrophobicContact CD2-CD1 4.28Å; L442-I478 HydrophobicContact CD2-CG2 4.5Å; L442-L593 HydrophobicContact CG-CD1 4.34Å |
| 443 | N | 92.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -73.6 | -22.2 | -173.2 | -62.4 | 12.6 | 0 | 0 | 0 | 114.6 | H439 V447 C448 H449 V592 L593 | H439-N443 PolarHBondContact CE1-ND2 3.49Å; H439-N443 VanDerWaalsContact CE1-ND2 3.29Å; H439-N443 PolarHBondContact O-N 3.29Å; H439-N443 PolarHBondContact O-OD1 3.24Å; N443-V447 CarbonylContact C-O 3.55Å; N443-V447 WeakPolarHBondContact CA-O 3.43Å; N443-C448 CarbonylContact O-C 3.59Å; N443-C448 WeakPolarHBondContact O-CA 3.49Å; N443-H449 PolarHBondContact O-CD2 3.08Å; N443-H449 VanDerWaalsContact O-CD2 3.31Å; N443-H449 PolarHBondContact O-N 2.84Å; N443-V592 WeakPolarHBondContact ND2-CG2 3.46Å; N443-L593 WeakPolarHBondContact OD1-CD1 3.43Å |
| 444 | T | 91.9 | Very high | 91.2 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -110 | -18.2 | -175.1 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | K401 K440 L442 C448 | K401-T444 PolarHBondContact NZ-O 3.35Å; K440-T444 HydrophobicContact CG-CG2 4.33Å; K440-T444 VanDerWaalsContact O-CB 3.29Å; K440-T444 WeakPolarHBondContact O-CB 3.47Å; K440-T444 VanDerWaalsContact O-CG2 3.23Å; K440-T444 WeakPolarHBondContact O-CG2 3.35Å; K440-T444 PolarHBondContact O-N 3.24Å; K440-T444 PolarHBondContact O-OG1 3.18Å; L442-T444 PolarHBondContact O-N 2.69Å; T444-C448 PolarHBondContact O-SG 3.18Å; T444-C448 VanDerWaalsContact O-SG 3.41Å |
| 445 | S | 91.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -132.6 | -33.5 | -170.1 | -52.5 | 0 | 0 | 0 | 0 | 114.9 | S397 I441 | S397-S445 WeakPolarHBondContact CB-OG 3.42Å; S397-S445 PolarHBondContact OG-OG 3.33Å; I441-S445 WeakPolarHBondContact O-CA 3.12Å; I441-S445 WeakPolarHBondContact O-CB 3.32Å; I441-S445 PolarHBondContact O-N 2.65Å |
| 446 | L | 92.9 | Very high | 91.6 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -90.2 | -60.7 | 176.6 | -61 | 178.8 | 0 | 0 | 0 | 110.7 | Y400 K420 L423 L424 I441 L442 L463 | Y400-L446 HydrophobicContact CD1-CD2 3.79Å; Y400-L446 HydrophobicContact CE1-CD2 3.74Å; K420-L446 HydrophobicContact CB-CD2 3.99Å; L423-L446 HydrophobicContact CD1-CD2 4Å; L424-L446 HydrophobicContact CD1-CD1 4.48Å; L424-L446 HydrophobicContact CD2-CD1 4.17Å; L424-L446 HydrophobicContact CG-CD1 4.09Å; I441-L446 PolarHBondContact O-N 3.04Å; I441-L446 VanDerWaalsContact O-N 3.15Å; L442-L446 HydrophobicContact CD1-CB 4.22Å; L442-L446 HydrophobicContact CD1-CD1 4.2Å; L442-L446 PolarHBondContact O-N 2.9Å; L446-L463 HydrophobicContact CB-CD2 4.09Å; L446-L463 HydrophobicContact CD1-CD1 4.48Å; L446-L463 HydrophobicContact CD1-CD2 4.34Å |
| 447 | V | 93.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -117.6 | 100.5 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 106.7 | L442 N443 H449 R456 K459 L460 L463 L593 | L442-V447 HydrophobicContact CD1-CG2 4.39Å; L442-V447 CarbonylContact O-C 3.47Å; L442-V447 PolarHBondContact O-N 2.98Å; L442-V447 VanDerWaalsContact O-O 3.04Å; N443-V447 CarbonylContact C-O 3.55Å; N443-V447 WeakPolarHBondContact CA-O 3.43Å; V447-H449 PolarHBondContact O-N 3.12Å; V447-R456 HydrophobicContact CG1-CG 3.83Å; V447-R456 WeakPolarHBondContact CG1-O 3.35Å; V447-K459 HydrophobicContact CG1-CB 4.45Å; V447-K459 HydrophobicContact CG2-CB 4.48Å; V447-L460 HydrophobicContact CG1-CB 4.22Å; V447-L460 HydrophobicContact CG2-CB 4.16Å; V447-L460 HydrophobicContact CG2-CD1 4.23Å; V447-L463 HydrophobicContact CG2-CD2 3.74Å; V447-L593 HydrophobicContact CB-CD2 4.29Å; V447-L593 HydrophobicContact CG1-CD2 3.94Å |
| 448 | C | 90.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.054 | 20% | 0.202 | C | C | . | . | trans | -73.9 | 116.3 | -173.2 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | K401 N443 T444 S450 S451 | K401-C448 WeakPolarHBondContact CE-SG 3.35Å; K401-C448 PolarHBondContact NZ-SG 3.04Å; N443-C448 CarbonylContact O-C 3.59Å; N443-C448 WeakPolarHBondContact O-CA 3.49Å; T444-C448 PolarHBondContact O-SG 3.18Å; T444-C448 VanDerWaalsContact O-SG 3.41Å; C448-S450 PolarHBondContact O-N 2.75Å; C448-S450 VanDerWaalsContact O-N 3.08Å; C448-S451 VanDerWaalsContact O-CB 3.27Å; C448-S451 WeakPolarHBondContact O-CB 3.13Å; C448-S451 PolarHBondContact O-N 2.78Å | ||
| 449 | H | 89.8 | Confident | 91.8 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.5 | 176.3 | 77.6 | 104.7 | 0 | 0 | 0 | 113.6 | N443 V447 K556 V592 L593 | N443-H449 PolarHBondContact O-CD2 3.08Å; N443-H449 VanDerWaalsContact O-CD2 3.31Å; N443-H449 PolarHBondContact O-N 2.84Å; V447-H449 PolarHBondContact O-N 3.12Å; H449-K556 VanDerWaalsContact O-CE 3.27Å; H449-K556 WeakPolarHBondContact O-CE 3.27Å; H449-V592 HydrophobicContact CB-CB 4.23Å; H449-V592 HydrophobicContact CB-CG2 4.29Å; H449-V592 WeakPolarHBondContact CB-O 3.2Å; H449-L593 HydrophobicContact CB-CD2 4.07Å |
| 450 | S | 89.1 | Confident | 91.9 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 62% | 0.622 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 0.3 | 173.9 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | C448 | C448-S450 PolarHBondContact O-N 2.75Å; C448-S450 VanDerWaalsContact O-N 3.08Å |
| 451 | S | 89 | Confident | 91.9 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -78.8 | 151.4 | 174 | -80.9 | 0 | 0 | 0 | 0 | 111.5 | C448 E455 R456 | C448-S451 VanDerWaalsContact O-CB 3.27Å; C448-S451 WeakPolarHBondContact O-CB 3.13Å; C448-S451 PolarHBondContact O-N 2.78Å; S451-E455 WeakPolarHBondContact CB-OE2 3.34Å; S451-E455 PolarHBondContact OG-OE2 3.19Å; S451-R456 PolarHBondContact O-NH1 3.42Å |
| 452 | P | 91.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 39.4 Ų | 39.4 | 59% | 0.591 | 21% | 0.209 | S | C | * | . | trans | -53 | 151.7 | 167.8 | -23.8 | 34.2 | 0 | 0 | 0 | 112 | E454 E455 R456 | P452-E454 PolarHBondContact O-N 3.22Å; P452-E455 PolarHBondContact O-N 3.16Å; P452-E455 VanDerWaalsContact O-N 3.14Å; P452-R456 WeakPolarHBondContact O-CB 3.26Å; P452-R456 PolarHBondContact O-N 3.47Å | ||
| 453 | T | 92.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.9 | -47.7 | -170.5 | -48.7 | 0 | 0 | 0 | 0 | 113.5 | R456 A457 E597 T598 F601 | T453-R456 WeakPolarHBondContact O-CB 3.34Å; T453-R456 PolarHBondContact O-N 2.96Å; T453-A457 WeakPolarHBondContact O-CB 3.38Å; T453-A457 PolarHBondContact O-N 3.11Å; T453-E597 HydrophobicContact CG2-CB 3.58Å; T453-E597 PolarHBondContact OG1-OE2 3.22Å; T453-E597 VanDerWaalsContact OG1-OE2 3.06Å; T453-T598 WeakPolarHBondContact CG2-OG1 3.29Å; T453-F601 HydrophobicContact CG2-CD2 4.19Å; T453-F601 HydrophobicContact CG2-CE2 4.34Å |
| 454 | E | 92.6 | Very high | 91.4 | Very high | 131 Ų | 131 | 39.2 Ų | 39.2 | 61% | 0.612 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -58.9 | -48.2 | 176.1 | -174.2 | -170 | 173.7 | 0 | 0 | 112.3 | P452 R456 A457 K458 F601 | P452-E454 PolarHBondContact O-N 3.22Å; E454-R456 VanDerWaalsContact C-N 3.27Å; E454-R456 PolarHBondContact O-N 2.9Å; E454-A457 PolarHBondContact O-N 3.08Å; E454-K458 WeakPolarHBondContact O-CB 3.49Å; E454-K458 PolarHBondContact O-N 2.93Å; E454-F601 HydrophobicContact CB-CD1 4.3Å; E454-F601 HydrophobicContact CB-CD2 4.41Å; E454-F601 HydrophobicContact CB-CE1 3.99Å; E454-F601 HydrophobicContact CB-CE2 4.11Å; E454-F601 HydrophobicContact CB-CZ 3.89Å; E454-F601 HydrophobicContact CG-CD1 4.02Å; E454-F601 HydrophobicContact CG-CE1 3.85Å; E454-F601 HydrophobicContact CG-CZ 4.27Å |
| 455 | E | 91.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 37.3 Ų | 37.3 | 39% | 0.393 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.7 | -32.8 | 179.6 | -158.1 | -152 | -163.4 | 0 | 0 | 111.7 | S451 P452 K459 | S451-E455 WeakPolarHBondContact CB-OE2 3.34Å; S451-E455 PolarHBondContact OG-OE2 3.19Å; P452-E455 PolarHBondContact O-N 3.16Å; P452-E455 VanDerWaalsContact O-N 3.14Å; E455-K459 HydrophobicContact CG-CD 4.43Å; E455-K459 WeakPolarHBondContact O-CB 3.24Å; E455-K459 VanDerWaalsContact O-CG 3.26Å; E455-K459 WeakPolarHBondContact O-CG 3.43Å; E455-K459 PolarHBondContact O-N 3.43Å; E455-K459 VanDerWaalsContact O-N 3.08Å; E455-K459 WeakPolarHBondContact OE1-CE 3.37Å; E455-K459 IonicContact OE1-NZ 3.72Å; E455-K459 PolarHBondContact OE1-NZ 3.46Å; E455-K459 IonicContact OE2-NZ 2.86Å; E455-K459 PolarHBondContact OE2-NZ 3.19Å |
| 456 | R | 92.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.7 | -43.8 | 176.8 | -168.3 | 176.5 | 70.4 | -125.3 | 7.6 | 111.4 | V447 S451 P452 T453 E454 L460 L593 D595 T598 | V447-R456 HydrophobicContact CG1-CG 3.83Å; V447-R456 WeakPolarHBondContact CG1-O 3.35Å; S451-R456 PolarHBondContact O-NH1 3.42Å; P452-R456 WeakPolarHBondContact O-CB 3.26Å; P452-R456 PolarHBondContact O-N 3.47Å; T453-R456 WeakPolarHBondContact O-CB 3.34Å; T453-R456 PolarHBondContact O-N 2.96Å; E454-R456 VanDerWaalsContact C-N 3.27Å; E454-R456 PolarHBondContact O-N 2.9Å; R456-L460 PolarHBondContact O-N 3.24Å; R456-L460 VanDerWaalsContact O-N 3.16Å; R456-L593 PolarHBondContact NE-O 3.12Å; R456-D595 IonicContact CZ-OD2 2.74Å; R456-D595 VanDerWaalsContact NH2-CG 3.27Å; R456-D595 IonicContact NH2-OD1 2.81Å; R456-D595 PolarHBondContact NH2-OD1 3.49Å; R456-D595 IonicContact NH2-OD2 2.72Å; R456-D595 PolarHBondContact NH2-OD2 3.01Å; R456-T598 PolarHBondContact NH2-OG1 2.79Å |
| 457 | A | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -52.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T453 E454 K459 L460 Y461 T598 F601 L602 | T453-A457 WeakPolarHBondContact O-CB 3.38Å; T453-A457 PolarHBondContact O-N 3.11Å; E454-A457 PolarHBondContact O-N 3.08Å; A457-K459 PolarHBondContact O-N 3.32Å; A457-L460 WeakPolarHBondContact O-CB 3.41Å; A457-L460 PolarHBondContact O-N 3.01Å; A457-L460 VanDerWaalsContact O-N 3.08Å; A457-Y461 PolarHBondContact O-N 3.29Å; A457-T598 HydrophobicContact CB-CG2 4.01Å; A457-F601 HydrophobicContact CB-CB 3.65Å; A457-L602 HydrophobicContact CB-CD2 4.12Å; A457-L602 HydrophobicContact CB-CG 4.12Å; A457-L602 VanDerWaalsContact O-CD2 3.3Å; A457-L602 WeakPolarHBondContact O-CD2 3.39Å |
| 458 | K | 91.1 | Very high | 90.7 | Very high | 101 Ų | 101 | 39.8 Ų | 39.8 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55 | -51.2 | 177.7 | 177.3 | 175.1 | 178.8 | -164.6 | 0 | 112.1 | E454 L460 Y461 D462 M605 | E454-K458 WeakPolarHBondContact O-CB 3.49Å; E454-K458 PolarHBondContact O-N 2.93Å; K458-L460 PolarHBondContact O-N 3.1Å; K458-Y461 WeakPolarHBondContact O-CB 3.28Å; K458-Y461 PolarHBondContact O-N 3.49Å; K458-Y461 VanDerWaalsContact O-N 3.13Å; K458-D462 WeakPolarHBondContact CE-OD2 3.45Å; K458-D462 VanDerWaalsContact CG-OD2 3.28Å; K458-D462 WeakPolarHBondContact CG-OD2 3.34Å; K458-D462 VanDerWaalsContact O-CG 3.27Å; K458-D462 PolarHBondContact O-N 3.22Å; K458-M605 HydrophobicContact CB-CE 4.21Å; K458-M605 HydrophobicContact CB-SD 4.11Å; K458-M605 HydrophobicContact CG-CE 3.99Å |
| 459 | K | 91 | Very high | 90.6 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -30.2 | 179.2 | -75.7 | 171 | -175.3 | 169.2 | 0 | 113.3 | V447 E455 A457 L463 | V447-K459 HydrophobicContact CG1-CB 4.45Å; V447-K459 HydrophobicContact CG2-CB 4.48Å; E455-K459 HydrophobicContact CG-CD 4.43Å; E455-K459 WeakPolarHBondContact O-CB 3.24Å; E455-K459 VanDerWaalsContact O-CG 3.26Å; E455-K459 WeakPolarHBondContact O-CG 3.43Å; E455-K459 PolarHBondContact O-N 3.43Å; E455-K459 VanDerWaalsContact O-N 3.08Å; E455-K459 WeakPolarHBondContact OE1-CE 3.37Å; E455-K459 IonicContact OE1-NZ 3.72Å; E455-K459 PolarHBondContact OE1-NZ 3.46Å; E455-K459 IonicContact OE2-NZ 2.86Å; E455-K459 PolarHBondContact OE2-NZ 3.19Å; A457-K459 PolarHBondContact O-N 3.32Å; K459-L463 WeakPolarHBondContact O-CB 3.45Å; K459-L463 PolarHBondContact O-N 2.69Å; K459-L463 VanDerWaalsContact O-N 3.11Å |
| 460 | L | 93.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.6 | -44.1 | 174.5 | -179.9 | 59.5 | 0 | 0 | 0 | 112 | V447 R456 A457 K458 L463 Y464 F479 I594 L602 M631 | V447-L460 HydrophobicContact CG1-CB 4.22Å; V447-L460 HydrophobicContact CG2-CB 4.16Å; V447-L460 HydrophobicContact CG2-CD1 4.23Å; R456-L460 PolarHBondContact O-N 3.24Å; R456-L460 VanDerWaalsContact O-N 3.16Å; A457-L460 WeakPolarHBondContact O-CB 3.41Å; A457-L460 PolarHBondContact O-N 3.01Å; A457-L460 VanDerWaalsContact O-N 3.08Å; K458-L460 PolarHBondContact O-N 3.1Å; L460-L463 PolarHBondContact O-N 3.47Å; L460-Y464 WeakPolarHBondContact O-CB 3.18Å; L460-Y464 PolarHBondContact O-N 2.88Å; L460-F479 HydrophobicContact CD1-CZ 4.18Å; L460-I594 HydrophobicContact CD2-CD1 3.4Å; L460-L602 HydrophobicContact CD2-CD1 4.19Å; L460-M631 HydrophobicContact CD2-SD 4.47Å; L460-M631 HydrophobicContact CG-SD 3.96Å |
| 461 | Y | 91.6 | Very high | 91 | Very high | 28 Ų | 28 | 41 Ų | 41 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 173.7 | 178.1 | -83.3 | 0 | 0 | 0 | 111.5 | A457 K458 L463 Y464 S465 M605 V606 M631 | A457-Y461 PolarHBondContact O-N 3.29Å; K458-Y461 WeakPolarHBondContact O-CB 3.28Å; K458-Y461 PolarHBondContact O-N 3.49Å; K458-Y461 VanDerWaalsContact O-N 3.13Å; Y461-L463 PolarHBondContact O-N 3.14Å; Y461-Y464 PolarHBondContact O-N 3.22Å; Y461-S465 WeakPolarHBondContact O-CB 3.33Å; Y461-S465 PolarHBondContact O-N 3.49Å; Y461-S465 PolarHBondContact O-OG 3.39Å; Y461-M605 HydrophobicContact CD1-CE 3.44Å; Y461-M605 VanDerWaalsContact CD1-CE 3.44Å; Y461-M605 HydrophobicContact CD2-CB 3.86Å; Y461-M605 HydrophobicContact CD2-CE 4.2Å; Y461-M605 HydrophobicContact CE1-CE 4.07Å; Y461-M605 HydrophobicContact CE2-CB 4Å; Y461-M605 HydrophobicContact CG-CB 4.37Å; Y461-M605 HydrophobicContact CG-CE 3.54Å; Y461-M605 HydrophobicContact CG-SD 4.25Å; Y461-V606 HydrophobicContact CD2-CG2 4.22Å; Y461-V606 HydrophobicContact CE2-CG2 3.92Å; Y461-M631 HydrophobicContact CD2-CE 4.18Å |
| 462 | D | 87.4 | Confident | 91.2 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 179.6 | -65 | -25.7 | 0 | 0 | 0 | 110.4 | K458 S466 | K458-D462 WeakPolarHBondContact CE-OD2 3.45Å; K458-D462 VanDerWaalsContact CG-OD2 3.28Å; K458-D462 WeakPolarHBondContact CG-OD2 3.34Å; K458-D462 VanDerWaalsContact O-CG 3.27Å; K458-D462 PolarHBondContact O-N 3.22Å; D462-S466 VanDerWaalsContact O-CB 3.3Å; D462-S466 WeakPolarHBondContact O-CB 3.45Å; D462-S466 PolarHBondContact O-N 3.03Å; D462-S466 PolarHBondContact O-OG 2.86Å |
| 463 | L | 90.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -50.9 | 177 | 177.4 | 65.8 | 0 | 0 | 0 | 112.4 | K420 L442 L446 V447 K459 L460 Y461 S465 S466 V467 L475 | K420-L463 HydrophobicContact CB-CD1 4.1Å; K420-L463 HydrophobicContact CD-CD1 4.01Å; K420-L463 HydrophobicContact CG-CD1 4.46Å; L442-L463 HydrophobicContact CD1-CD2 3.66Å; L446-L463 HydrophobicContact CB-CD2 4.09Å; L446-L463 HydrophobicContact CD1-CD1 4.48Å; L446-L463 HydrophobicContact CD1-CD2 4.34Å; V447-L463 HydrophobicContact CG2-CD2 3.74Å; K459-L463 WeakPolarHBondContact O-CB 3.45Å; K459-L463 PolarHBondContact O-N 2.69Å; K459-L463 VanDerWaalsContact O-N 3.11Å; L460-L463 PolarHBondContact O-N 3.47Å; Y461-L463 PolarHBondContact O-N 3.14Å; L463-S465 VanDerWaalsContact C-N 3.33Å; L463-S465 PolarHBondContact O-N 2.78Å; L463-S466 PolarHBondContact O-N 3.45Å; L463-S466 PolarHBondContact O-OG 3.47Å; L463-V467 HydrophobicContact CD1-CG1 3.7Å; L463-V467 HydrophobicContact CG-CG1 4.37Å; L463-V467 WeakPolarHBondContact O-CG1 3.34Å; L463-V467 WeakPolarHBondContact O-CG2 3.47Å; L463-V467 PolarHBondContact O-N 3.43Å; L463-L475 HydrophobicContact CD2-CD2 4.48Å; L463-L475 HydrophobicContact CG-CD1 4.46Å |
| 464 | Y | 91.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | -175.3 | -164.8 | -79.3 | 0 | 0 | 0 | 111.5 | L460 Y461 L472 L475 N476 R627 S630 M631 | L460-Y464 WeakPolarHBondContact O-CB 3.18Å; L460-Y464 PolarHBondContact O-N 2.88Å; Y461-Y464 PolarHBondContact O-N 3.22Å; Y464-L472 HydrophobicContact CD1-CD1 3.64Å; Y464-L472 HydrophobicContact CD2-CD1 3.94Å; Y464-L472 HydrophobicContact CE1-CD1 3.47Å; Y464-L472 VanDerWaalsContact CE1-CD1 3.47Å; Y464-L472 HydrophobicContact CE1-CG 4.41Å; Y464-L472 HydrophobicContact CE2-CD1 3.79Å; Y464-L472 HydrophobicContact CG-CD1 3.88Å; Y464-L475 HydrophobicContact CD2-CD1 4.08Å; Y464-N476 WeakPolarHBondContact CE2-OD1 3.17Å; Y464-N476 PolarHBondContact OH-ND2 3.07Å; Y464-N476 VanDerWaalsContact OH-ND2 3.12Å; Y464-N476 PolarHBondContact OH-OD1 2.96Å; Y464-R627 WeakPolarHBondContact CD1-O 3.39Å; Y464-R627 WeakPolarHBondContact CE1-O 3.18Å; Y464-S630 PolarHBondContact OH-OG 3.06Å; Y464-M631 VanDerWaalsContact CB-SD 3.55Å; Y464-M631 HydrophobicContact CD1-CB 3.61Å; Y464-M631 HydrophobicContact CD1-CG 4.15Å; Y464-M631 HydrophobicContact CD1-SD 4.36Å; Y464-M631 HydrophobicContact CD2-CB 3.97Å; Y464-M631 HydrophobicContact CD2-CG 3.66Å; Y464-M631 HydrophobicContact CD2-SD 3.95Å; Y464-M631 HydrophobicContact CE1-CB 3.57Å; Y464-M631 HydrophobicContact CE1-CG 4.35Å; Y464-M631 HydrophobicContact CE2-CB 3.95Å; Y464-M631 HydrophobicContact CE2-CG 3.9Å; Y464-M631 HydrophobicContact CG-CB 3.81Å; Y464-M631 HydrophobicContact CG-CG 3.8Å; Y464-M631 HydrophobicContact CG-SD 3.72Å |
| 465 | S | 86.3 | Confident | 91.4 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | Y461 L463 Y624 R627 | Y461-S465 WeakPolarHBondContact O-CB 3.33Å; Y461-S465 PolarHBondContact O-N 3.49Å; Y461-S465 PolarHBondContact O-OG 3.39Å; L463-S465 VanDerWaalsContact C-N 3.33Å; L463-S465 PolarHBondContact O-N 2.78Å; S465-Y624 WeakPolarHBondContact O-CD1 3.48Å; S465-Y624 VanDerWaalsContact O-CE1 3.26Å; S465-Y624 WeakPolarHBondContact O-CE1 3.49Å; S465-R627 PolarHBondContact O-NH1 3.05Å |
| 466 | S | 86 | Confident | 91.5 | Very high | 28 Ų | 28 | 30 Ų | 30 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -97.9 | -4.2 | -163.5 | 60.4 | 0 | 0 | 0 | 0 | 116.5 | K420 D462 L463 | K420-S466 WeakPolarHBondContact CE-OG 3.31Å; K420-S466 VanDerWaalsContact NZ-CB 3.28Å; K420-S466 PolarHBondContact NZ-OG 2.85Å; D462-S466 VanDerWaalsContact O-CB 3.3Å; D462-S466 WeakPolarHBondContact O-CB 3.45Å; D462-S466 PolarHBondContact O-N 3.03Å; D462-S466 PolarHBondContact O-OG 2.86Å; L463-S466 PolarHBondContact O-N 3.45Å; L463-S466 PolarHBondContact O-OG 3.47Å |
| 467 | V | 90.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -78.8 | 161.2 | 175 | -72.4 | 0 | 0 | 0 | 0 | 113.1 | K420 N421 L424 L463 A471 L472 L475 R627 | K420-V467 HydrophobicContact CD-CG1 4.38Å; K420-V467 HydrophobicContact CG-CG1 4.35Å; N421-V467 VanDerWaalsContact OD1-CA 3.3Å; N421-V467 WeakPolarHBondContact OD1-CA 3.36Å; N421-V467 WeakPolarHBondContact OD1-CB 3.26Å; L424-V467 HydrophobicContact CD1-CG1 3.91Å; L463-V467 HydrophobicContact CD1-CG1 3.7Å; L463-V467 HydrophobicContact CG-CG1 4.37Å; L463-V467 WeakPolarHBondContact O-CG1 3.34Å; L463-V467 WeakPolarHBondContact O-CG2 3.47Å; L463-V467 PolarHBondContact O-N 3.43Å; V467-A471 HydrophobicContact CB-CB 3.83Å; V467-A471 HydrophobicContact CG1-CB 4.2Å; V467-A471 HydrophobicContact CG2-CB 4.45Å; V467-L472 HydrophobicContact CG2-CB 4.15Å; V467-L472 HydrophobicContact CG2-CD1 3.84Å; V467-L475 HydrophobicContact CG2-CD1 4.12Å; V467-R627 PolarHBondContact O-NH1 2.9Å; V467-R627 PolarHBondContact O-NH2 3.41Å |
| 468 | D | 91.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | trans | -81.9 | 162.4 | 171.3 | 72.8 | 70.9 | 0 | 0 | 0 | 112.6 | N421 Y425 R470 A471 L472 | N421-D468 WeakPolarHBondContact CB-OD2 3.23Å; N421-D468 VanDerWaalsContact CG-OD2 3.29Å; N421-D468 PolarHBondContact OD1-N 2.8Å; N421-D468 PolarHBondContact OD1-OD2 3.22Å; Y425-D468 PolarHBondContact OH-OD1 3.37Å; Y425-D468 PolarHBondContact OH-OD2 3.21Å; D468-R470 PolarHBondContact O-N 2.94Å; D468-R470 WeakPolarHBondContact OD1-CB 3.45Å; D468-R470 PolarHBondContact OD1-N 2.99Å; D468-R470 IonicContact OD1-NE 2.79Å; D468-A471 CarbonylContact O-C 3.53Å; D468-A471 WeakPolarHBondContact O-CA 3.47Å; D468-A471 PolarHBondContact O-N 3.13Å; D468-A471 PolarHBondContact OD1-N 3.43Å; D468-L472 WeakPolarHBondContact O-CB 3.47Å; D468-L472 PolarHBondContact O-N 2.96Å | ||
| 469 | D | 90 | Very high | 91.5 | Very high | 59 Ų | 59 | 28.6 Ų | 28.6 | 32% | 0.316 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.1 | -22.2 | -171.8 | -43 | -42.2 | 0 | 0 | 0 | 114.4 | K473 R627 | D469-K473 WeakPolarHBondContact O-CB 3.38Å; D469-K473 WeakPolarHBondContact O-CD 3.45Å; D469-K473 WeakPolarHBondContact O-CG 3.21Å; D469-K473 PolarHBondContact O-N 3.44Å; D469-K473 VanDerWaalsContact O-N 3.13Å; D469-R627 IonicContact OD1-CZ 3.18Å; D469-R627 IonicContact OD1-NH2 2.65Å; D469-R627 PolarHBondContact OD1-NH2 2.9Å |
| 470 | R | 92.8 | Very high | 91.5 | Very high | 126 Ų | 126 | 29.3 Ų | 29.3 | 48% | 0.475 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -81.4 | -40.9 | 175.9 | -58.8 | -177.7 | -66.7 | -154.5 | -4.5 | 110.8 | Y425 Y428 D468 L472 K473 V474 | Y425-R470 HydrophobicContact CE1-CB 3.87Å; Y425-R470 PolarHBondContact OH-NE 3.03Å; Y425-R470 VanDerWaalsContact OH-NE 3.11Å; Y425-R470 PolarHBondContact OH-NH2 3.26Å; Y428-R470 HydrophobicContact CE2-CB 4.18Å; Y428-R470 PolarHBondContact OH-O 2.59Å; D468-R470 PolarHBondContact O-N 2.94Å; D468-R470 WeakPolarHBondContact OD1-CB 3.45Å; D468-R470 PolarHBondContact OD1-N 2.99Å; D468-R470 IonicContact OD1-NE 2.79Å; R470-L472 VanDerWaalsContact C-N 3.35Å; R470-K473 PolarHBondContact O-N 3.23Å; R470-V474 PolarHBondContact O-N 3.14Å |
| 471 | A | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N421 L424 Y425 V467 D468 K473 V474 L475 | N421-A471 HydrophobicContact CB-CB 4.43Å; N421-A471 VanDerWaalsContact OD1-CB 3.24Å; N421-A471 WeakPolarHBondContact OD1-CB 3.47Å; L424-A471 HydrophobicContact CB-CB 3.99Å; L424-A471 HydrophobicContact CD1-CB 3.85Å; Y425-A471 HydrophobicContact CD1-CB 4.33Å; Y425-A471 HydrophobicContact CE1-CB 4.01Å; V467-A471 HydrophobicContact CB-CB 3.83Å; V467-A471 HydrophobicContact CG1-CB 4.2Å; V467-A471 HydrophobicContact CG2-CB 4.45Å; D468-A471 CarbonylContact O-C 3.53Å; D468-A471 WeakPolarHBondContact O-CA 3.47Å; D468-A471 PolarHBondContact O-N 3.13Å; D468-A471 PolarHBondContact OD1-N 3.43Å; A471-K473 PolarHBondContact O-N 3.39Å; A471-V474 WeakPolarHBondContact O-CB 3.21Å; A471-V474 PolarHBondContact O-N 3.35Å; A471-V474 VanDerWaalsContact O-N 3.1Å; A471-L475 PolarHBondContact O-N 3.22Å; A471-L475 VanDerWaalsContact O-N 3.09Å |
| 472 | L | 93.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.7 | -162.7 | 65.8 | 0 | 0 | 0 | 111.9 | Y464 V467 D468 R470 V474 L475 N476 | Y464-L472 HydrophobicContact CD1-CD1 3.64Å; Y464-L472 HydrophobicContact CD2-CD1 3.94Å; Y464-L472 HydrophobicContact CE1-CD1 3.47Å; Y464-L472 VanDerWaalsContact CE1-CD1 3.47Å; Y464-L472 HydrophobicContact CE1-CG 4.41Å; Y464-L472 HydrophobicContact CE2-CD1 3.79Å; Y464-L472 HydrophobicContact CG-CD1 3.88Å; V467-L472 HydrophobicContact CG2-CB 4.15Å; V467-L472 HydrophobicContact CG2-CD1 3.84Å; D468-L472 WeakPolarHBondContact O-CB 3.47Å; D468-L472 PolarHBondContact O-N 2.96Å; R470-L472 VanDerWaalsContact C-N 3.35Å; L472-V474 VanDerWaalsContact C-N 3.26Å; L472-V474 PolarHBondContact O-N 3.29Å; L472-L475 PolarHBondContact O-N 2.7Å; L472-N476 PolarHBondContact O-N 3.04Å; L472-N476 PolarHBondContact O-OD1 3.48Å |
| 473 | K | 92 | Very high | 91.6 | Very high | 62 Ų | 62 | 26.8 Ų | 26.8 | 27% | 0.27 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.2 | -31.7 | 173.8 | -79.9 | 171.1 | 177.8 | -176.1 | 0 | 113.3 | D469 R470 A471 T477 V1480 | D469-K473 WeakPolarHBondContact O-CB 3.38Å; D469-K473 WeakPolarHBondContact O-CD 3.45Å; D469-K473 WeakPolarHBondContact O-CG 3.21Å; D469-K473 PolarHBondContact O-N 3.44Å; D469-K473 VanDerWaalsContact O-N 3.13Å; R470-K473 PolarHBondContact O-N 3.23Å; A471-K473 PolarHBondContact O-N 3.39Å; K473-T477 WeakPolarHBondContact O-CB 3.25Å; K473-T477 PolarHBondContact O-N 2.98Å; K473-T477 PolarHBondContact O-OG1 3.37Å; K473-V1480 PolarHBondContact NZ-O 3.46Å |
| 474 | V | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.7 | -47.6 | 172.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | L424 F427 Y428 R470 A471 L472 N476 T477 I478 | L424-V474 HydrophobicContact CB-CG1 4.4Å; L424-V474 HydrophobicContact CD2-CG1 4.25Å; F427-V474 HydrophobicContact CB-CB 4.35Å; F427-V474 HydrophobicContact CB-CG1 3.49Å; F427-V474 VanDerWaalsContact CB-CG1 3.49Å; F427-V474 HydrophobicContact CB-CG2 3.87Å; F427-V474 HydrophobicContact CD1-CG1 4.24Å; F427-V474 HydrophobicContact CD1-CG2 4.2Å; F427-V474 HydrophobicContact CD2-CG1 4.08Å; F427-V474 HydrophobicContact CG-CG1 3.69Å; F427-V474 HydrophobicContact CG-CG2 4.27Å; Y428-V474 HydrophobicContact CD2-CG2 4.21Å; Y428-V474 HydrophobicContact CE1-CG2 4.34Å; Y428-V474 HydrophobicContact CE2-CG2 3.62Å; R470-V474 PolarHBondContact O-N 3.14Å; A471-V474 WeakPolarHBondContact O-CB 3.21Å; A471-V474 PolarHBondContact O-N 3.35Å; A471-V474 VanDerWaalsContact O-N 3.1Å; L472-V474 VanDerWaalsContact C-N 3.26Å; L472-V474 PolarHBondContact O-N 3.29Å; V474-N476 VanDerWaalsContact C-N 3.31Å; V474-N476 PolarHBondContact O-N 2.96Å; V474-T477 PolarHBondContact O-N 3.41Å; V474-I478 HydrophobicContact CG1-CD1 3.85Å; V474-I478 HydrophobicContact CG1-CG1 4.48Å; V474-I478 WeakPolarHBondContact O-CG1 3.38Å; V474-I478 PolarHBondContact O-N 3.14Å |
| 475 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.1 | -46.8 | 176.6 | -64.8 | 175.3 | 0 | 0 | 0 | 111.2 | L424 L442 L463 Y464 V467 A471 L472 T477 I478 F479 | L424-L475 HydrophobicContact CD1-CD1 4.33Å; L424-L475 HydrophobicContact CD1-CD2 4.07Å; L424-L475 HydrophobicContact CD1-CG 4.1Å; L424-L475 HydrophobicContact CD2-CD2 3.7Å; L424-L475 HydrophobicContact CD2-CG 4.38Å; L442-L475 HydrophobicContact CD1-CD2 3.84Å; L442-L475 HydrophobicContact CD2-CD2 3.93Å; L463-L475 HydrophobicContact CD2-CD2 4.48Å; L463-L475 HydrophobicContact CG-CD1 4.46Å; Y464-L475 HydrophobicContact CD2-CD1 4.08Å; V467-L475 HydrophobicContact CG2-CD1 4.12Å; A471-L475 PolarHBondContact O-N 3.22Å; A471-L475 VanDerWaalsContact O-N 3.09Å; L472-L475 PolarHBondContact O-N 2.7Å; L475-T477 PolarHBondContact O-N 3.4Å; L475-I478 WeakPolarHBondContact O-CB 3.44Å; L475-I478 PolarHBondContact O-N 3.09Å; L475-I478 VanDerWaalsContact O-N 3.15Å; L475-F479 HydrophobicContact CB-CE2 4.37Å; L475-F479 VanDerWaalsContact O-CD2 3.29Å; L475-F479 WeakPolarHBondContact O-CD2 3.05Å; L475-F479 PolarHBondContact O-N 3.24Å |
| 476 | N | 93.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | -178.1 | -62.5 | 6.2 | 0 | 0 | 0 | 111.7 | Y464 L472 V474 I478 I480 V634 | Y464-N476 WeakPolarHBondContact CE2-OD1 3.17Å; Y464-N476 PolarHBondContact OH-ND2 3.07Å; Y464-N476 VanDerWaalsContact OH-ND2 3.12Å; Y464-N476 PolarHBondContact OH-OD1 2.96Å; L472-N476 PolarHBondContact O-N 3.04Å; L472-N476 PolarHBondContact O-OD1 3.48Å; V474-N476 VanDerWaalsContact C-N 3.31Å; V474-N476 PolarHBondContact O-N 2.96Å; N476-I478 VanDerWaalsContact C-N 3.31Å; N476-I478 PolarHBondContact O-N 3.4Å; N476-I480 VanDerWaalsContact O-CB 3.32Å; N476-I480 WeakPolarHBondContact O-CB 3Å; N476-I480 WeakPolarHBondContact O-CD1 3.46Å; N476-I480 VanDerWaalsContact O-CG1 3.23Å; N476-I480 WeakPolarHBondContact O-CG1 3.47Å; N476-I480 PolarHBondContact O-N 3.27Å; N476-V634 HydrophobicContact CB-CG1 4.45Å; N476-V634 HydrophobicContact CB-CG2 4.44Å |
| 477 | T | 90.8 | Very high | 92.4 | Very high | 74 Ų | 74 | 33 Ų | 33 | 45% | 0.454 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 172.9 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | F427 K473 V474 L475 G481 | F427-T477 HydrophobicContact CE1-CG2 3.85Å; F427-T477 HydrophobicContact CZ-CG2 3.88Å; K473-T477 WeakPolarHBondContact O-CB 3.25Å; K473-T477 PolarHBondContact O-N 2.98Å; K473-T477 PolarHBondContact O-OG1 3.37Å; V474-T477 PolarHBondContact O-N 3.41Å; L475-T477 PolarHBondContact O-N 3.4Å; T477-G481 PolarHBondContact O-N 3.24Å |
| 478 | I | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -55.8 | 175 | -73 | 167.1 | 0 | 0 | 0 | 110.3 | F427 L442 V474 L475 N476 I480 G481 Q482 W588 | F427-I478 HydrophobicContact CD2-CD1 4.28Å; F427-I478 HydrophobicContact CD2-CG1 4.2Å; F427-I478 HydrophobicContact CE2-CD1 4.45Å; F427-I478 HydrophobicContact CE2-CG1 3.88Å; L442-I478 HydrophobicContact CD2-CD1 4.28Å; L442-I478 HydrophobicContact CD2-CG2 4.5Å; V474-I478 HydrophobicContact CG1-CD1 3.85Å; V474-I478 HydrophobicContact CG1-CG1 4.48Å; V474-I478 WeakPolarHBondContact O-CG1 3.38Å; V474-I478 PolarHBondContact O-N 3.14Å; L475-I478 WeakPolarHBondContact O-CB 3.44Å; L475-I478 PolarHBondContact O-N 3.09Å; L475-I478 VanDerWaalsContact O-N 3.15Å; N476-I478 VanDerWaalsContact C-N 3.31Å; N476-I478 PolarHBondContact O-N 3.4Å; I478-I480 PolarHBondContact O-N 2.72Å; I478-G481 CarbonylContact O-C 3.52Å; I478-G481 PolarHBondContact O-N 2.84Å; I478-G481 VanDerWaalsContact O-N 3.16Å; I478-Q482 HydrophobicContact CG2-CG 4.47Å; I478-Q482 WeakPolarHBondContact O-CG 3.32Å; I478-Q482 PolarHBondContact O-N 3.43Å; I478-W588 HydrophobicContact CG1-CH2 4.27Å; I478-W588 HydrophobicContact CG2-CH2 4.35Å |
| 479 | F | 93.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | -175.9 | -63.5 | -48.3 | 0 | 0 | 0 | 112.7 | L460 L475 Q482 A483 V634 L635 S638 F639 | L460-F479 HydrophobicContact CD1-CZ 4.18Å; L475-F479 HydrophobicContact CB-CE2 4.37Å; L475-F479 VanDerWaalsContact O-CD2 3.29Å; L475-F479 WeakPolarHBondContact O-CD2 3.05Å; L475-F479 PolarHBondContact O-N 3.24Å; F479-Q482 PolarHBondContact O-N 2.97Å; F479-A483 PolarHBondContact O-N 3.07Å; F479-V634 HydrophobicContact CB-CG1 3.99Å; F479-V634 HydrophobicContact CD2-CG1 4.16Å; F479-L635 HydrophobicContact CD2-CD2 4.48Å; F479-S638 PolarHBondContact O-OG 3.21Å; F479-F639 HydrophobicContact CB-CE2 4.4Å; F479-F639 AromaticContact CD1-CE2 3.79Å; F479-F639 HydrophobicContact CD1-CE2 3.79Å; F479-F639 HydrophobicContact CD1-CZ 4.27Å; F479-F639 HydrophobicContact CE1-CE2 4.45Å; F479-F639 HydrophobicContact CG-CE2 4.36Å |
| 480 | I | 91.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.3 | -66.7 | 168.5 | 0 | 0 | 0 | 110.6 | N476 I478 Q482 A483 E484 Y637 | N476-I480 VanDerWaalsContact O-CB 3.32Å; N476-I480 WeakPolarHBondContact O-CB 3Å; N476-I480 WeakPolarHBondContact O-CD1 3.46Å; N476-I480 VanDerWaalsContact O-CG1 3.23Å; N476-I480 WeakPolarHBondContact O-CG1 3.47Å; N476-I480 PolarHBondContact O-N 3.27Å; I478-I480 PolarHBondContact O-N 2.72Å; I480-Q482 VanDerWaalsContact C-N 3.29Å; I480-Q482 PolarHBondContact O-N 3.4Å; I480-A483 WeakPolarHBondContact O-CB 3.36Å; I480-A483 PolarHBondContact O-N 3.15Å; I480-A483 VanDerWaalsContact O-N 3.12Å; I480-E484 HydrophobicContact CG2-CG 4.47Å; I480-E484 PolarHBondContact O-N 3.47Å; I480-Y637 HydrophobicContact CG1-CD1 4.24Å; I480-Y637 HydrophobicContact CG1-CE1 4.34Å; I480-Y637 HydrophobicContact CG2-CE1 4.2Å |
| 481 | G | 90.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -25.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T477 I478 A485 I518 W588 | T477-G481 PolarHBondContact O-N 3.24Å; I478-G481 CarbonylContact O-C 3.52Å; I478-G481 PolarHBondContact O-N 2.84Å; I478-G481 VanDerWaalsContact O-N 3.16Å; G481-A485 WeakPolarHBondContact O-CB 3.41Å; G481-A485 PolarHBondContact O-N 2.87Å; G481-A485 VanDerWaalsContact O-N 3.16Å; G481-I518 VanDerWaalsContact O-CG2 3.28Å; G481-I518 WeakPolarHBondContact O-CG2 3.26Å; G481-W588 PolarHBondContact O-NE1 2.83Å |
| 482 | Q | 92.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.3 | -41.3 | 168.8 | -70.9 | -177.4 | -58.3 | 0 | 0 | 111.2 | H439 I478 F479 I480 A485 R486 W588 | H439-Q482 PolarHBondContact NE2-NE2 2.87Å; I478-Q482 HydrophobicContact CG2-CG 4.47Å; I478-Q482 WeakPolarHBondContact O-CG 3.32Å; I478-Q482 PolarHBondContact O-N 3.43Å; F479-Q482 PolarHBondContact O-N 2.97Å; I480-Q482 VanDerWaalsContact C-N 3.29Å; I480-Q482 PolarHBondContact O-N 3.4Å; Q482-A485 PolarHBondContact O-N 3.26Å; Q482-R486 WeakPolarHBondContact O-CG 3.39Å; Q482-R486 PolarHBondContact O-N 3.21Å; Q482-W588 HydrophobicContact CG-CD2 4.25Å; Q482-W588 HydrophobicContact CG-CZ2 4.14Å; Q482-W588 WeakPolarHBondContact CG-O 3.43Å; Q482-W588 PolarHBondContact NE2-O 3.28Å |
| 483 | A | 92.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 12% | 0.116 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F479 I480 A485 R486 S487 Y637 | F479-A483 PolarHBondContact O-N 3.07Å; I480-A483 WeakPolarHBondContact O-CB 3.36Å; I480-A483 PolarHBondContact O-N 3.15Å; I480-A483 VanDerWaalsContact O-N 3.12Å; A483-A485 VanDerWaalsContact C-N 3.29Å; A483-A485 PolarHBondContact O-N 3.45Å; A483-R486 PolarHBondContact O-N 3.04Å; A483-S487 PolarHBondContact O-N 3.05Å; A483-Y637 HydrophobicContact CB-CE1 4.31Å |
| 484 | E | 91.7 | Very high | 92.5 | Very high | 84 Ų | 84 | 28.4 Ų | 28.4 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 173.3 | -71.1 | -170.3 | -178.5 | 0 | 0 | 111.8 | I480 L488 I518 | I480-E484 HydrophobicContact CG2-CG 4.47Å; I480-E484 PolarHBondContact O-N 3.47Å; E484-L488 VanDerWaalsContact O-CB 3.22Å; E484-L488 WeakPolarHBondContact O-CB 3.48Å; E484-L488 PolarHBondContact O-N 3.14Å; E484-L488 VanDerWaalsContact O-N 3.08Å; E484-I518 HydrophobicContact CB-CD1 4.08Å |
| 485 | A | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G481 Q482 A483 L488 V489 L515 I518 V589 | G481-A485 WeakPolarHBondContact O-CB 3.41Å; G481-A485 PolarHBondContact O-N 2.87Å; G481-A485 VanDerWaalsContact O-N 3.16Å; Q482-A485 PolarHBondContact O-N 3.26Å; A483-A485 VanDerWaalsContact C-N 3.29Å; A483-A485 PolarHBondContact O-N 3.45Å; A485-L488 PolarHBondContact O-N 3.28Å; A485-V489 VanDerWaalsContact O-CG2 3.29Å; A485-V489 WeakPolarHBondContact O-CG2 3.18Å; A485-V489 PolarHBondContact O-N 3Å; A485-L515 HydrophobicContact CB-CD1 4.13Å; A485-I518 HydrophobicContact CB-CG2 4.22Å; A485-V589 HydrophobicContact CB-CG1 4.02Å |
| 486 | R | 94.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -50.7 | 177.3 | -76.7 | -172.9 | -78.5 | -95.7 | 6.3 | 112.3 | Q482 A483 L488 V489 L490 L550 V589 S638 F639 | Q482-R486 WeakPolarHBondContact O-CG 3.39Å; Q482-R486 PolarHBondContact O-N 3.21Å; A483-R486 PolarHBondContact O-N 3.04Å; R486-L488 VanDerWaalsContact C-N 3.27Å; R486-L488 PolarHBondContact O-N 2.86Å; R486-V489 PolarHBondContact O-N 3.45Å; R486-L490 PolarHBondContact O-N 2.94Å; R486-L550 HydrophobicContact CB-CD2 4.09Å; R486-L550 HydrophobicContact CG-CD2 3.7Å; R486-V589 HydrophobicContact CG-CB 4.13Å; R486-V589 PolarHBondContact NH1-O 2.91Å; R486-S638 PolarHBondContact NH2-O 3.4Å; R486-F639 VanDerWaalsContact NH2-CZ 3.34Å |
| 487 | S | 92.7 | Very high | 91.3 | Very high | 83 Ų | 83 | 34.3 Ų | 34.3 | 58% | 0.58 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -57.2 | -41.1 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | A483 H491 | A483-S487 PolarHBondContact O-N 3.05Å; S487-H491 WeakPolarHBondContact O-CB 3.46Å; S487-H491 PolarHBondContact O-N 3.49Å |
| 488 | L | 92 | Very high | 90.8 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.3 | -33 | 179 | -173.4 | 59.2 | 0 | 0 | 0 | 113.4 | E484 A485 R486 I492 K514 L515 I518 | E484-L488 VanDerWaalsContact O-CB 3.22Å; E484-L488 WeakPolarHBondContact O-CB 3.48Å; E484-L488 PolarHBondContact O-N 3.14Å; E484-L488 VanDerWaalsContact O-N 3.08Å; A485-L488 PolarHBondContact O-N 3.28Å; R486-L488 VanDerWaalsContact C-N 3.27Å; R486-L488 PolarHBondContact O-N 2.86Å; L488-I492 HydrophobicContact CG-CD1 4.14Å; L488-I492 WeakPolarHBondContact O-CB 3.41Å; L488-I492 WeakPolarHBondContact O-CD1 3.46Å; L488-I492 WeakPolarHBondContact O-CG1 3.45Å; L488-I492 PolarHBondContact O-N 2.71Å; L488-K514 HydrophobicContact CD1-CD 4.27Å; L488-K514 HydrophobicContact CD2-CB 3.78Å; L488-K514 HydrophobicContact CD2-CD 3.74Å; L488-K514 HydrophobicContact CD2-CG 3.6Å; L488-L515 HydrophobicContact CD2-CB 3.82Å; L488-L515 VanDerWaalsContact CD2-N 3.31Å; L488-L515 HydrophobicContact CG-CB 4.32Å; L488-I518 HydrophobicContact CD2-CD1 3.92Å |
| 489 | V | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | A485 R486 I492 I493 L515 F533 L546 L550 V589 | A485-V489 VanDerWaalsContact O-CG2 3.29Å; A485-V489 WeakPolarHBondContact O-CG2 3.18Å; A485-V489 PolarHBondContact O-N 3Å; R486-V489 PolarHBondContact O-N 3.45Å; V489-I492 PolarHBondContact O-N 2.61Å; V489-I493 HydrophobicContact CG1-CD1 4.24Å; V489-I493 WeakPolarHBondContact O-CG1 3.34Å; V489-I493 PolarHBondContact O-N 2.76Å; V489-L515 HydrophobicContact CG2-CD1 3.76Å; V489-L515 HydrophobicContact CG2-CD2 3.71Å; V489-L515 HydrophobicContact CG2-CG 4.41Å; V489-F533 HydrophobicContact CG1-CE1 3.82Å; V489-F533 HydrophobicContact CG1-CZ 3.87Å; V489-F533 HydrophobicContact CG2-CZ 4.22Å; V489-L546 HydrophobicContact CG1-CD2 4.2Å; V489-L550 HydrophobicContact CB-CD1 4.13Å; V489-L550 HydrophobicContact CB-CD2 4.5Å; V489-L550 HydrophobicContact CG1-CD1 3.49Å; V489-L550 VanDerWaalsContact CG1-CD1 3.49Å; V489-L550 HydrophobicContact CG1-CD2 4.45Å; V489-V589 HydrophobicContact CG2-CG1 4.41Å |
| 490 | L | 93.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 45.9 Ų | 45.9 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -53.1 | 172.9 | -71.6 | 171.2 | 0 | 0 | 0 | 110.4 | R486 I492 I493 D494 R547 L550 | R486-L490 PolarHBondContact O-N 2.94Å; L490-I492 PolarHBondContact O-N 2.83Å; L490-I492 VanDerWaalsContact O-N 3.15Å; L490-I493 WeakPolarHBondContact O-CA 3.33Å; L490-I493 WeakPolarHBondContact O-CB 3.27Å; L490-I493 PolarHBondContact O-N 3.05Å; L490-D494 PolarHBondContact O-N 3.28Å; L490-D494 VanDerWaalsContact O-OD2 3.13Å; L490-R547 HydrophobicContact CD2-CG 4.27Å; L490-L550 HydrophobicContact CD2-CB 3.89Å; L490-L550 HydrophobicContact CD2-CD1 3.83Å; L490-L550 HydrophobicContact CG-CB 4.18Å; L490-L550 HydrophobicContact CG-CD1 4.08Å |
| 491 | H | 92.5 | Very high | 87.4 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.7 | -34.1 | 176.5 | -178.8 | 48.5 | 0 | 0 | 0 | 113.5 | S487 L495 | S487-H491 WeakPolarHBondContact O-CB 3.46Å; S487-H491 PolarHBondContact O-N 3.49Å; H491-L495 WeakPolarHBondContact O-CB 3.42Å; H491-L495 WeakPolarHBondContact O-CG 3.28Å; H491-L495 PolarHBondContact O-N 3.18Å |
| 492 | I | 92.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -35.9 | 173.9 | -74.8 | 161.4 | 0 | 0 | 0 | 111.9 | L488 V489 L490 H496 L508 L512 L515 F533 | L488-I492 HydrophobicContact CG-CD1 4.14Å; L488-I492 WeakPolarHBondContact O-CB 3.41Å; L488-I492 WeakPolarHBondContact O-CD1 3.46Å; L488-I492 WeakPolarHBondContact O-CG1 3.45Å; L488-I492 PolarHBondContact O-N 2.71Å; V489-I492 PolarHBondContact O-N 2.61Å; L490-I492 PolarHBondContact O-N 2.83Å; L490-I492 VanDerWaalsContact O-N 3.15Å; I492-H496 PolarHBondContact O-N 3.18Å; I492-H496 PolarHBondContact O-ND1 2.86Å; I492-L508 HydrophobicContact CG1-CD1 4.47Å; I492-L508 HydrophobicContact CG2-CD1 3.96Å; I492-L512 HydrophobicContact CD1-CD2 4.15Å; I492-L512 HydrophobicContact CD1-CG 4.48Å; I492-L512 HydrophobicContact CG2-CD2 4.15Å; I492-L515 HydrophobicContact CD1-CB 4.12Å; I492-L515 HydrophobicContact CD1-CD2 3.83Å; I492-F533 HydrophobicContact CG2-CB 4.24Å; I492-F533 HydrophobicContact CG2-CD1 3.8Å; I492-F533 HydrophobicContact CG2-CD2 3.78Å; I492-F533 HydrophobicContact CG2-CE1 4.07Å; I492-F533 HydrophobicContact CG2-CE2 4.05Å; I492-F533 HydrophobicContact CG2-CG 3.66Å; I492-F533 HydrophobicContact CG2-CZ 4.2Å |
| 493 | I | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.3 | -48.2 | 174.4 | -60.5 | 161.8 | 0 | 0 | 0 | 109.6 | V489 L490 L495 H496 E497 F533 K543 L546 R547 L550 | V489-I493 HydrophobicContact CG1-CD1 4.24Å; V489-I493 WeakPolarHBondContact O-CG1 3.34Å; V489-I493 PolarHBondContact O-N 2.76Å; L490-I493 WeakPolarHBondContact O-CA 3.33Å; L490-I493 WeakPolarHBondContact O-CB 3.27Å; L490-I493 PolarHBondContact O-N 3.05Å; I493-L495 PolarHBondContact O-N 3.25Å; I493-H496 PolarHBondContact O-N 2.92Å; I493-E497 PolarHBondContact O-N 2.9Å; I493-F533 HydrophobicContact CG1-CE1 4.48Å; I493-K543 HydrophobicContact CG2-CD 4Å; I493-K543 HydrophobicContact CG2-CG 3.83Å; I493-L546 HydrophobicContact CD1-CD2 3.79Å; I493-L546 HydrophobicContact CD1-CG 4.01Å; I493-L546 HydrophobicContact CG1-CD2 4.43Å; I493-R547 HydrophobicContact CD1-CG 4.31Å; I493-L550 HydrophobicContact CD1-CD1 4.12Å |
| 494 | D | 90.6 | Very high | 84.3 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -33.3 | 179.8 | -49 | -29.4 | 0 | 0 | 0 | 111.3 | L490 E497 A498 R547 | L490-D494 PolarHBondContact O-N 3.28Å; L490-D494 VanDerWaalsContact O-OD2 3.13Å; D494-E497 PolarHBondContact O-N 2.78Å; D494-A498 PolarHBondContact O-N 3.21Å; D494-R547 IonicContact OD1-CZ 3.78Å; D494-R547 IonicContact OD1-NE 3.15Å; D494-R547 IonicContact OD1-NH2 3.75Å; D494-R547 PolarHBondContact OD1-NH2 2.89Å |
| 495 | L | 88.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -49.7 | 169.3 | -77.6 | 170.5 | 0 | 0 | 0 | 111.5 | H491 I493 E497 A498 H504 L508 | H491-L495 WeakPolarHBondContact O-CB 3.42Å; H491-L495 WeakPolarHBondContact O-CG 3.28Å; H491-L495 PolarHBondContact O-N 3.18Å; I493-L495 PolarHBondContact O-N 3.25Å; L495-E497 PolarHBondContact O-N 3.38Å; L495-A498 WeakPolarHBondContact O-CB 3.5Å; L495-A498 PolarHBondContact O-N 2.88Å; L495-H504 VanDerWaalsContact C-CE1 3.44Å; L495-H504 WeakPolarHBondContact CD2-CE1 3.38Å; L495-H504 PolarHBondContact O-CE1 3.34Å; L495-H504 PolarHBondContact O-NE2 2.94Å; L495-L508 HydrophobicContact CD1-CB 4.41Å |
| 496 | H | 85.4 | Confident | 82.9 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.2 | -21.7 | 179.7 | -77 | 83.6 | 0 | 0 | 0 | 114.1 | I492 I493 F533 C537 | I492-H496 PolarHBondContact O-N 3.18Å; I492-H496 PolarHBondContact O-ND1 2.86Å; I493-H496 PolarHBondContact O-N 2.92Å; H496-F533 VanDerWaalsContact CE1-CB 3.45Å; H496-F533 WeakPolarHBondContact CE1-CB 3.42Å; H496-C537 HydrophobicContact CB-CB 3.75Å |
| 497 | E | 82.6 | Confident | 82.3 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86.7 | -15.3 | 175.2 | -66.8 | -179.1 | 152.2 | 0 | 0 | 113.9 | I493 D494 L495 K543 R547 | I493-E497 PolarHBondContact O-N 2.9Å; D494-E497 PolarHBondContact O-N 2.78Å; L495-E497 PolarHBondContact O-N 3.38Å; E497-K543 WeakPolarHBondContact OE1-CD 3.41Å; E497-K543 WeakPolarHBondContact OE1-CE 3.38Å; E497-K543 IonicContact OE1-NZ 2.68Å; E497-K543 PolarHBondContact OE1-NZ 3.36Å; E497-R547 VanDerWaalsContact CD-NH1 3.28Å; E497-R547 IonicContact OE1-CZ 3.57Å; E497-R547 IonicContact OE1-NH1 3.48Å; E497-R547 PolarHBondContact OE1-NH1 3.24Å; E497-R547 IonicContact OE1-NH2 3.99Å; E497-R547 IonicContact OE2-CZ 3.1Å; E497-R547 IonicContact OE2-NH1 3.08Å; E497-R547 PolarHBondContact OE2-NH1 3.07Å; E497-R547 IonicContact OE2-NH2 2.72Å; E497-R547 PolarHBondContact OE2-NH2 2.77Å |
| 498 | A | 80.6 | Confident | 82 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -77.5 | 160.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D494 L495 Q500 | D494-A498 PolarHBondContact O-N 3.21Å; L495-A498 WeakPolarHBondContact O-CB 3.5Å; L495-A498 PolarHBondContact O-N 2.88Å; A498-Q500 PolarHBondContact O-N 3.45Å |
| 499 | V | 65.4 | Low | 81.6 | Confident | 137 Ų | 137 | 62.7 Ų | 62.7 | 83% | 0.83 | 34% | 0.341 | S | S | * | . | trans | -62.3 | 122.7 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | D501 | V499-D501 PolarHBondContact O-N 2.87Š| ||
| 500 | Q | 69.8 | Low | 81.1 | Confident | 138 Ų | 138 | 64.6 Ų | 64.6 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | trans | -78.6 | 106.4 | -171.2 | -62.7 | -175.7 | 11.9 | 0 | 0 | 112.4 | A498 | A498-Q500 PolarHBondContact O-N 3.45Š| ||
| 501 | D | 69.9 | Low | 80.9 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | trans | -113.1 | -174.8 | 167.2 | 79.5 | 25 | 0 | 0 | 0 | 112.8 | V499 A503 H504 Q505 | V499-D501 PolarHBondContact O-N 2.87Å; D501-A503 WeakPolarHBondContact OD1-CA 3.43Å; D501-A503 WeakPolarHBondContact OD1-CB 3.26Å; D501-A503 PolarHBondContact OD1-N 3.15Å; D501-H504 WeakPolarHBondContact OD1-CB 3.25Å; D501-H504 PolarHBondContact OD1-N 3.24Å; D501-Q505 PolarHBondContact O-N 3.34Å | ||
| 502 | T | 63.8 | Low | 80.7 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 72% | 0.724 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.2 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | N506 | T502-N506 PolarHBondContact O-ND2 3.37Š|
| 503 | A | 71.2 | Confident | 80.3 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -46.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | D501 Q505 N506 D507 | D501-A503 WeakPolarHBondContact OD1-CA 3.43Å; D501-A503 WeakPolarHBondContact OD1-CB 3.26Å; D501-A503 PolarHBondContact OD1-N 3.15Å; A503-Q505 VanDerWaalsContact C-N 3.34Å; A503-Q505 PolarHBondContact O-N 3.32Å; A503-N506 WeakPolarHBondContact O-CA 3.22Å; A503-N506 WeakPolarHBondContact O-CB 3.3Å; A503-N506 PolarHBondContact O-N 2.89Å; A503-D507 PolarHBondContact O-N 3.12Å |
| 504 | H | 75.7 | Confident | 79.9 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -48.8 | -49.5 | 175.7 | -174.5 | 91.5 | 0 | 0 | 0 | 113.1 | L495 D501 N506 D507 L508 | L495-H504 VanDerWaalsContact C-CE1 3.44Å; L495-H504 WeakPolarHBondContact CD2-CE1 3.38Å; L495-H504 PolarHBondContact O-CE1 3.34Å; L495-H504 PolarHBondContact O-NE2 2.94Å; D501-H504 WeakPolarHBondContact OD1-CB 3.25Å; D501-H504 PolarHBondContact OD1-N 3.24Å; H504-N506 PolarHBondContact O-N 3.38Å; H504-D507 PolarHBondContact O-N 3.43Å; H504-L508 WeakPolarHBondContact O-CB 3.45Å; H504-L508 PolarHBondContact O-N 3.42Å |
| 505 | Q | 74.7 | Confident | 79.8 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.8 | -27.7 | 178.4 | -70.9 | -173.3 | 4.1 | 0 | 0 | 113.3 | D501 A503 L509 | D501-Q505 PolarHBondContact O-N 3.34Å; A503-Q505 VanDerWaalsContact C-N 3.34Å; A503-Q505 PolarHBondContact O-N 3.32Å; Q505-L509 WeakPolarHBondContact O-CB 3.26Å; Q505-L509 PolarHBondContact O-N 2.86Å |
| 506 | N | 79.1 | Confident | 79.6 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75.6 | -42.7 | 173.6 | -77 | -82 | 0 | 0 | 0 | 111.6 | T502 A503 H504 L509 I510 | T502-N506 PolarHBondContact O-ND2 3.37Å; A503-N506 WeakPolarHBondContact O-CA 3.22Å; A503-N506 WeakPolarHBondContact O-CB 3.3Å; A503-N506 PolarHBondContact O-N 2.89Å; H504-N506 PolarHBondContact O-N 3.38Å; N506-L509 PolarHBondContact O-N 3.38Å; N506-I510 VanDerWaalsContact O-CG1 3.27Å; N506-I510 WeakPolarHBondContact O-CG1 3.45Å; N506-I510 PolarHBondContact O-N 2.86Å |
| 507 | D | 82.4 | Confident | 79.3 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 178.9 | -70.3 | -29.5 | 0 | 0 | 0 | 111.9 | A503 H504 L509 I510 S511 | A503-D507 PolarHBondContact O-N 3.12Å; H504-D507 PolarHBondContact O-N 3.43Å; D507-L509 PolarHBondContact O-N 3.14Å; D507-I510 PolarHBondContact O-N 3.27Å; D507-S511 WeakPolarHBondContact O-CB 3.34Å; D507-S511 PolarHBondContact O-N 3.33Å; D507-S511 PolarHBondContact O-OG 2.86Å |
| 508 | L | 86.2 | Confident | 79.1 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 168.9 | 174.9 | 58.5 | 0 | 0 | 0 | 111.7 | I492 L495 H504 I510 S511 L512 | I492-L508 HydrophobicContact CG1-CD1 4.47Å; I492-L508 HydrophobicContact CG2-CD1 3.96Å; L495-L508 HydrophobicContact CD1-CB 4.41Å; H504-L508 WeakPolarHBondContact O-CB 3.45Å; H504-L508 PolarHBondContact O-N 3.42Å; L508-I510 VanDerWaalsContact C-N 3.33Å; L508-I510 PolarHBondContact O-N 2.77Å; L508-S511 PolarHBondContact O-N 3.05Å; L508-L512 HydrophobicContact CD1-CD1 3.9Å; L508-L512 HydrophobicContact CD1-CG 4.01Å; L508-L512 HydrophobicContact CG-CD1 3.9Å; L508-L512 HydrophobicContact CG-CG 4.46Å; L508-L512 WeakPolarHBondContact O-CB 3.46Å; L508-L512 VanDerWaalsContact O-CG 3.26Å; L508-L512 WeakPolarHBondContact O-CG 3.29Å; L508-L512 PolarHBondContact O-N 2.65Å |
| 509 | L | 83.7 | Confident | 78.8 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 177.7 | -173.6 | 65.7 | 0 | 0 | 0 | 112.4 | Q505 N506 D507 R513 T526 | Q505-L509 WeakPolarHBondContact O-CB 3.26Å; Q505-L509 PolarHBondContact O-N 2.86Å; N506-L509 PolarHBondContact O-N 3.38Å; D507-L509 PolarHBondContact O-N 3.14Å; L509-R513 WeakPolarHBondContact O-CB 3.27Å; L509-R513 WeakPolarHBondContact O-CD 3.47Å; L509-R513 WeakPolarHBondContact O-CG 3.47Å; L509-R513 PolarHBondContact O-N 3.19Å; L509-T526 HydrophobicContact CD1-CG2 4.18Å |
| 510 | I | 84.4 | Confident | 79 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 173.9 | -71.2 | 163.1 | 0 | 0 | 0 | 110.3 | N506 D507 L508 R513 K514 | N506-I510 VanDerWaalsContact O-CG1 3.27Å; N506-I510 WeakPolarHBondContact O-CG1 3.45Å; N506-I510 PolarHBondContact O-N 2.86Å; D507-I510 PolarHBondContact O-N 3.27Å; L508-I510 VanDerWaalsContact C-N 3.33Å; L508-I510 PolarHBondContact O-N 2.77Å; I510-R513 WeakPolarHBondContact O-CB 3.29Å; I510-R513 PolarHBondContact O-N 3.05Å; I510-K514 WeakPolarHBondContact O-CB 3.5Å; I510-K514 PolarHBondContact O-N 3.43Å |
| 511 | S | 88.7 | Confident | 78.7 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 177.3 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | D507 L508 R513 K514 L515 | D507-S511 WeakPolarHBondContact O-CB 3.34Å; D507-S511 PolarHBondContact O-N 3.33Å; D507-S511 PolarHBondContact O-OG 2.86Å; L508-S511 PolarHBondContact O-N 3.05Å; S511-R513 VanDerWaalsContact C-N 3.32Å; S511-R513 PolarHBondContact O-N 2.9Å; S511-K514 PolarHBondContact O-N 2.87Å; S511-L515 PolarHBondContact O-N 3.23Å |
| 512 | L | 88.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 173.4 | -70.9 | 166.4 | 0 | 0 | 0 | 112.2 | I492 L508 S516 T526 L529 Q530 F533 | I492-L512 HydrophobicContact CD1-CD2 4.15Å; I492-L512 HydrophobicContact CD1-CG 4.48Å; I492-L512 HydrophobicContact CG2-CD2 4.15Å; L508-L512 HydrophobicContact CD1-CD1 3.9Å; L508-L512 HydrophobicContact CD1-CG 4.01Å; L508-L512 HydrophobicContact CG-CD1 3.9Å; L508-L512 HydrophobicContact CG-CG 4.46Å; L508-L512 WeakPolarHBondContact O-CB 3.46Å; L508-L512 VanDerWaalsContact O-CG 3.26Å; L508-L512 WeakPolarHBondContact O-CG 3.29Å; L508-L512 PolarHBondContact O-N 2.65Å; L512-S516 WeakPolarHBondContact O-CB 3.43Å; L512-S516 PolarHBondContact O-N 3.36Å; L512-S516 PolarHBondContact O-OG 3.46Å; L512-T526 HydrophobicContact CB-CG2 3.98Å; L512-L529 HydrophobicContact CD2-CB 3.95Å; L512-Q530 HydrophobicContact CD1-CB 3.95Å; L512-Q530 HydrophobicContact CD1-CG 4.07Å; L512-F533 HydrophobicContact CD2-CD2 3.55Å; L512-F533 HydrophobicContact CD2-CE2 4.03Å |
| 513 | R | 83.1 | Confident | 78.7 | Confident | 83 Ų | 83 | 50 Ų | 50 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -46.4 | 173 | -76.3 | 170.2 | -176 | -172.9 | 5 | 111.7 | L509 I510 S511 L515 S516 E517 T526 R969 | L509-R513 WeakPolarHBondContact O-CB 3.27Å; L509-R513 WeakPolarHBondContact O-CD 3.47Å; L509-R513 WeakPolarHBondContact O-CG 3.47Å; L509-R513 PolarHBondContact O-N 3.19Å; I510-R513 WeakPolarHBondContact O-CB 3.29Å; I510-R513 PolarHBondContact O-N 3.05Å; S511-R513 VanDerWaalsContact C-N 3.32Å; S511-R513 PolarHBondContact O-N 2.9Å; R513-L515 VanDerWaalsContact C-N 3.34Å; R513-L515 PolarHBondContact O-N 2.72Å; R513-S516 WeakPolarHBondContact CA-OG 3.27Å; R513-S516 CarbonylContact O-C 3.58Å; R513-S516 PolarHBondContact O-N 3.49Å; R513-S516 PolarHBondContact O-OG 3.48Å; R513-E517 PolarHBondContact O-N 3.27Å; R513-T526 HydrophobicContact CG-CG2 3.89Å; R513-R969 PolarHBondContact NH1-O 3.26Å |
| 514 | K | 84.1 | Confident | 78.7 | Confident | 109 Ų | 109 | 54.7 Ų | 54.7 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.9 | -177.7 | -173.2 | 172 | -167.3 | 0 | 111.4 | L488 I510 S511 E517 I518 | L488-K514 HydrophobicContact CD1-CD 4.27Å; L488-K514 HydrophobicContact CD2-CB 3.78Å; L488-K514 HydrophobicContact CD2-CD 3.74Å; L488-K514 HydrophobicContact CD2-CG 3.6Å; I510-K514 WeakPolarHBondContact O-CB 3.5Å; I510-K514 PolarHBondContact O-N 3.43Å; S511-K514 PolarHBondContact O-N 2.87Å; K514-E517 WeakPolarHBondContact O-CB 2.98Å; K514-E517 PolarHBondContact O-N 2.78Å; K514-E517 VanDerWaalsContact O-N 3.07Å; K514-I518 HydrophobicContact CG-CD1 3.97Å; K514-I518 WeakPolarHBondContact O-CG1 3.48Å; K514-I518 PolarHBondContact O-N 3.47Å |
| 515 | L | 88.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 174.5 | -178.8 | 63.4 | 0 | 0 | 0 | 111.4 | A485 L488 V489 I492 S511 R513 E517 I518 W519 L529 F533 L585 | A485-L515 HydrophobicContact CB-CD1 4.13Å; L488-L515 HydrophobicContact CD2-CB 3.82Å; L488-L515 VanDerWaalsContact CD2-N 3.31Å; L488-L515 HydrophobicContact CG-CB 4.32Å; V489-L515 HydrophobicContact CG2-CD1 3.76Å; V489-L515 HydrophobicContact CG2-CD2 3.71Å; V489-L515 HydrophobicContact CG2-CG 4.41Å; I492-L515 HydrophobicContact CD1-CB 4.12Å; I492-L515 HydrophobicContact CD1-CD2 3.83Å; S511-L515 PolarHBondContact O-N 3.23Å; R513-L515 VanDerWaalsContact C-N 3.34Å; R513-L515 PolarHBondContact O-N 2.72Å; L515-E517 PolarHBondContact O-N 3.04Å; L515-I518 PolarHBondContact O-N 3.22Å; L515-W519 PolarHBondContact O-N 3.37Å; L515-L529 HydrophobicContact CD2-CD1 4.37Å; L515-L529 HydrophobicContact CD2-CD2 4.4Å; L515-L529 HydrophobicContact CG-CD1 4.48Å; L515-F533 HydrophobicContact CD2-CE2 3.82Å; L515-F533 HydrophobicContact CD2-CZ 4.06Å; L515-L585 HydrophobicContact CD1-CD1 4.24Å; L515-L585 HydrophobicContact CD2-CD1 4.37Å; L515-L585 HydrophobicContact CG-CD1 4.49Å |
| 516 | S | 84.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -13.9 | 173.5 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | L512 R513 S520 C521 S522 T526 | L512-S516 WeakPolarHBondContact O-CB 3.43Å; L512-S516 PolarHBondContact O-N 3.36Å; L512-S516 PolarHBondContact O-OG 3.46Å; R513-S516 WeakPolarHBondContact CA-OG 3.27Å; R513-S516 CarbonylContact O-C 3.58Å; R513-S516 PolarHBondContact O-N 3.49Å; R513-S516 PolarHBondContact O-OG 3.48Å; S516-S520 CarbonylContact O-C 3.19Å; S516-S520 VanDerWaalsContact O-C 3.3Å; S516-S520 PolarHBondContact O-OG 3.06Å; S516-C521 CarbonylContact O-C 3.57Å; S516-C521 WeakPolarHBondContact O-CA 3.38Å; S516-C521 PolarHBondContact O-N 3.36Å; S516-S522 PolarHBondContact O-N 2.9Å; S516-T526 PolarHBondContact OG-OG1 3.31Å |
| 517 | E | 78.3 | Confident | 79.6 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -87.4 | -50.2 | 170.9 | -178.3 | 164.6 | -169.8 | 0 | 0 | 112.4 | R513 K514 L515 C521 R969 | R513-E517 PolarHBondContact O-N 3.27Å; K514-E517 WeakPolarHBondContact O-CB 2.98Å; K514-E517 PolarHBondContact O-N 2.78Å; K514-E517 VanDerWaalsContact O-N 3.07Å; L515-E517 PolarHBondContact O-N 3.04Å; E517-C521 WeakPolarHBondContact O-CA 3.39Å; E517-C521 PolarHBondContact O-N 3.17Å; E517-C521 PolarHBondContact O-SG 3.08Å; E517-R969 IonicContact OE1-CZ 2.79Å; E517-R969 IonicContact OE1-NH1 3.7Å; E517-R969 PolarHBondContact OE1-NH1 3.28Å; E517-R969 IonicContact OE1-NH2 3.38Å; E517-R969 PolarHBondContact OE1-NH2 3.48Å; E517-R969 IonicContact OE2-CZ 2.74Å; E517-R969 IonicContact OE2-NE 3.35Å; E517-R969 PolarHBondContact OE2-NE 3.39Å; E517-R969 IonicContact OE2-NH1 3.88Å; E517-R969 PolarHBondContact OE2-NH1 2.96Å; E517-R969 IonicContact OE2-NH2 2.75Å; E517-R969 PolarHBondContact OE2-NH2 3.42Å |
| 518 | I | 79.2 | Confident | 79.9 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -51.4 | -175.9 | -67.3 | 162.1 | 0 | 0 | 0 | 110.9 | G481 E484 A485 L488 K514 L515 | G481-I518 VanDerWaalsContact O-CG2 3.28Å; G481-I518 WeakPolarHBondContact O-CG2 3.26Å; E484-I518 HydrophobicContact CB-CD1 4.08Å; A485-I518 HydrophobicContact CB-CG2 4.22Å; L488-I518 HydrophobicContact CD2-CD1 3.92Å; K514-I518 HydrophobicContact CG-CD1 3.97Å; K514-I518 WeakPolarHBondContact O-CG1 3.48Å; K514-I518 PolarHBondContact O-N 3.47Å; L515-I518 PolarHBondContact O-N 3.22Å |
| 519 | W | 74 | Confident | 80.1 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.038 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -57.7 | -175.8 | 155.1 | 63.2 | 0 | 0 | 0 | 112.1 | L515 V525 L529 T581 E584 L585 W588 | L515-W519 PolarHBondContact O-N 3.37Å; W519-V525 HydrophobicContact CH2-CG1 4.09Å; W519-V525 HydrophobicContact CZ3-CG1 4.08Å; W519-L529 HydrophobicContact CZ3-CD1 4.29Å; W519-L529 HydrophobicContact CZ3-CD2 4.14Å; W519-T581 HydrophobicContact CH2-CG2 4.11Å; W519-T581 HydrophobicContact CZ3-CG2 4.35Å; W519-E584 HydrophobicContact CH2-CB 4.38Å; W519-E584 HydrophobicContact CZ2-CB 3.54Å; W519-E584 PolarHBondContact NE1-O 3.03Å; W519-L585 HydrophobicContact CD2-CD1 4.11Å; W519-L585 HydrophobicContact CE3-CD1 4.01Å; W519-L585 HydrophobicContact CG-CD1 4.42Å; W519-L585 HydrophobicContact CH2-CB 4.48Å; W519-L585 HydrophobicContact CZ3-CB 4.48Å; W519-W588 HydrophobicContact CB-CG 4.25Å; W519-W588 VanDerWaalsContact CD1-CB 3.41Å; W519-W588 AromaticContact CD1-CD2 3.88Å; W519-W588 AromaticContact CD1-CG 3.49Å; W519-W588 VanDerWaalsContact CD1-CG 3.49Å; W519-W588 HydrophobicContact CG-CB 4.24Å; W519-W588 HydrophobicContact CG-CG 4.13Å |
| 520 | S | 68.8 | Low | 80.4 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 3.5 | -171.6 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | V432 S516 S522 | V432-S520 WeakPolarHBondContact CG1-O 3.47Å; V432-S520 WeakPolarHBondContact CG2-O 3.03Å; S516-S520 CarbonylContact O-C 3.19Å; S516-S520 VanDerWaalsContact O-C 3.3Å; S516-S520 PolarHBondContact O-OG 3.06Å; S520-S522 WeakPolarHBondContact O-CB 3.34Å; S520-S522 PolarHBondContact O-N 3.37Å |
| 521 | C | 63.3 | Low | 80.6 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 35% | 0.345 | 24% | 0.244 | S | C | . | . | trans | 42.6 | 27.7 | -179.9 | -106.8 | 0 | 0 | 0 | 0 | 116.1 | V432 R435 S516 E517 | V432-C521 HydrophobicContact CG2-CB 3.88Å; R435-C521 PolarHBondContact NH1-SG 3.33Å; R435-C521 VanDerWaalsContact NH2-CB 3.29Å; R435-C521 PolarHBondContact NH2-SG 3.41Å; R435-C521 VanDerWaalsContact NH2-SG 3.4Å; S516-C521 CarbonylContact O-C 3.57Å; S516-C521 WeakPolarHBondContact O-CA 3.38Å; S516-C521 PolarHBondContact O-N 3.36Å; E517-C521 WeakPolarHBondContact O-CA 3.39Å; E517-C521 PolarHBondContact O-N 3.17Å; E517-C521 PolarHBondContact O-SG 3.08Å | ||
| 522 | S | 68.1 | Low | 80.8 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | trans | -149.2 | 104.4 | -163.2 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | S516 S520 K524 V525 | S516-S522 PolarHBondContact O-N 2.9Å; S520-S522 WeakPolarHBondContact O-CB 3.34Å; S520-S522 PolarHBondContact O-N 3.37Å; S522-K524 PolarHBondContact O-N 3.48Å; S522-V525 PolarHBondContact O-N 2.78Å | ||
| 523 | Y | 66.3 | Low | 80.9 | Confident | 184 Ų | 184 | 52.7 Ų | 52.7 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -58.9 | -9.1 | 173.6 | 65.5 | -93.3 | 0 | 0 | 0 | 114.4 | V525 T526 | Y523-V525 VanDerWaalsContact C-N 3.25Å; Y523-V525 PolarHBondContact O-N 2.91Å; Y523-T526 PolarHBondContact O-OG1 2.9Å; Y523-T526 VanDerWaalsContact O-OG1 3.11Å |
| 524 | K | 71.2 | Confident | 81.2 | Confident | 152 Ų | 152 | 52 Ų | 52 | 66% | 0.661 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -68 | -27.2 | 176.6 | -67.5 | -175.4 | 177.4 | 179.6 | 0 | 112.6 | S522 T526 | S522-K524 PolarHBondContact O-N 3.48Å; K524-T526 VanDerWaalsContact C-N 3.32Å |
| 525 | V | 79.8 | Confident | 81.4 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -87.8 | -4.8 | -175.7 | -157.8 | 0 | 0 | 0 | 0 | 111.7 | W519 S522 Y523 E527 E528 L529 T581 | W519-V525 HydrophobicContact CH2-CG1 4.09Å; W519-V525 HydrophobicContact CZ3-CG1 4.08Å; S522-V525 PolarHBondContact O-N 2.78Å; Y523-V525 VanDerWaalsContact C-N 3.25Å; Y523-V525 PolarHBondContact O-N 2.91Å; V525-E527 VanDerWaalsContact C-N 3.31Å; V525-E527 PolarHBondContact O-N 3.13Å; V525-E528 HydrophobicContact CG1-CB 4.21Å; V525-E528 PolarHBondContact O-N 2.95Å; V525-L529 HydrophobicContact CG1-CG 4.36Å; V525-L529 WeakPolarHBondContact O-CG 3.33Å; V525-L529 PolarHBondContact O-N 2.74Å; V525-T581 HydrophobicContact CG1-CG2 3.47Å; V525-T581 VanDerWaalsContact CG1-CG2 3.47Å |
| 526 | T | 84.4 | Confident | 81.5 | Confident | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -35.5 | -177.3 | -51 | 0 | 0 | 0 | 0 | 112.3 | L509 L512 R513 S516 Y523 K524 Q530 | L509-T526 HydrophobicContact CD1-CG2 4.18Å; L512-T526 HydrophobicContact CB-CG2 3.98Å; R513-T526 HydrophobicContact CG-CG2 3.89Å; S516-T526 PolarHBondContact OG-OG1 3.31Å; Y523-T526 PolarHBondContact O-OG1 2.9Å; Y523-T526 VanDerWaalsContact O-OG1 3.11Å; K524-T526 VanDerWaalsContact C-N 3.32Å; T526-Q530 WeakPolarHBondContact O-CB 3.5Å; T526-Q530 PolarHBondContact O-N 2.89Å |
| 527 | E | 84.4 | Confident | 81.7 | Confident | 119 Ų | 119 | 49.9 Ų | 49.9 | 56% | 0.556 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.7 | -40.6 | 175 | -68.8 | -168.7 | -155.5 | 0 | 0 | 112.3 | V525 L529 Q530 K531 | V525-E527 VanDerWaalsContact C-N 3.31Å; V525-E527 PolarHBondContact O-N 3.13Å; E527-L529 VanDerWaalsContact C-N 3.33Å; E527-Q530 PolarHBondContact O-N 2.87Å; E527-K531 VanDerWaalsContact CB-NZ 3.33Å; E527-K531 VanDerWaalsContact O-CD 3.26Å; E527-K531 WeakPolarHBondContact O-CD 3.36Å; E527-K531 WeakPolarHBondContact O-CE 3.36Å; E527-K531 WeakPolarHBondContact O-CG 3.34Å; E527-K531 PolarHBondContact O-N 2.76Å; E527-K531 IonicContact OE2-NZ 2.62Å; E527-K531 PolarHBondContact OE2-NZ 3.44Å |
| 528 | E | 88.4 | Confident | 82.2 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.3 | -75.4 | 53.5 | -119.9 | 0 | 0 | 111.1 | V525 K531 L532 V577 V578 T581 | V525-E528 HydrophobicContact CG1-CB 4.21Å; V525-E528 PolarHBondContact O-N 2.95Å; E528-K531 PolarHBondContact O-N 2.66Å; E528-K531 IonicContact OE1-NZ 3.24Å; E528-K531 PolarHBondContact OE1-NZ 3.29Å; E528-L532 VanDerWaalsContact O-CB 3.28Å; E528-L532 WeakPolarHBondContact O-CB 3.41Å; E528-L532 PolarHBondContact O-N 2.98Å; E528-V577 HydrophobicContact CG-CG1 3.86Å; E528-V578 HydrophobicContact CB-CG2 4.21Å; E528-V578 HydrophobicContact CG-CG2 4.13Å; E528-T581 HydrophobicContact CB-CG2 4.1Å |
| 529 | L | 89.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 170.8 | -69.7 | 170.1 | 0 | 0 | 0 | 111.6 | L512 L515 W519 V525 E527 K531 L532 F533 T581 L585 | L512-L529 HydrophobicContact CD2-CB 3.95Å; L515-L529 HydrophobicContact CD2-CD1 4.37Å; L515-L529 HydrophobicContact CD2-CD2 4.4Å; L515-L529 HydrophobicContact CG-CD1 4.48Å; W519-L529 HydrophobicContact CZ3-CD1 4.29Å; W519-L529 HydrophobicContact CZ3-CD2 4.14Å; V525-L529 HydrophobicContact CG1-CG 4.36Å; V525-L529 WeakPolarHBondContact O-CG 3.33Å; V525-L529 PolarHBondContact O-N 2.74Å; E527-L529 VanDerWaalsContact C-N 3.33Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 2.94Å; L529-L532 HydrophobicContact CD2-CD2 4.47Å; L529-L532 WeakPolarHBondContact O-CB 3.22Å; L529-L532 PolarHBondContact O-N 3.46Å; L529-F533 HydrophobicContact CB-CD2 4.45Å; L529-F533 HydrophobicContact CB-CE2 4.49Å; L529-F533 HydrophobicContact CD2-CE2 4.18Å; L529-F533 VanDerWaalsContact O-CD2 3.22Å; L529-F533 WeakPolarHBondContact O-CD2 3.08Å; L529-F533 PolarHBondContact O-N 3.27Å; L529-T581 HydrophobicContact CD2-CG2 3.76Å; L529-T581 HydrophobicContact CG-CG2 4.1Å; L529-L585 HydrophobicContact CD2-CD2 3.92Å |
| 530 | Q | 89.8 | Confident | 83.5 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 176.3 | -168.3 | 177.5 | 9.3 | 0 | 0 | 111.3 | L512 T526 E527 S534 | L512-Q530 HydrophobicContact CD1-CB 3.95Å; L512-Q530 HydrophobicContact CD1-CG 4.07Å; T526-Q530 WeakPolarHBondContact O-CB 3.5Å; T526-Q530 PolarHBondContact O-N 2.89Å; E527-Q530 PolarHBondContact O-N 2.87Å; Q530-S534 VanDerWaalsContact O-CB 3.3Å; Q530-S534 WeakPolarHBondContact O-CB 3.13Å; Q530-S534 PolarHBondContact O-N 3Å; Q530-S534 PolarHBondContact O-OG 2.97Å |
| 531 | K | 89.4 | Confident | 84.6 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.6 | -65.4 | 155.6 | -157.1 | 163.5 | 0 | 110.9 | E527 E528 L529 S534 Y535 V578 | E527-K531 VanDerWaalsContact CB-NZ 3.33Å; E527-K531 VanDerWaalsContact O-CD 3.26Å; E527-K531 WeakPolarHBondContact O-CD 3.36Å; E527-K531 WeakPolarHBondContact O-CE 3.36Å; E527-K531 WeakPolarHBondContact O-CG 3.34Å; E527-K531 PolarHBondContact O-N 2.76Å; E527-K531 IonicContact OE2-NZ 2.62Å; E527-K531 PolarHBondContact OE2-NZ 3.44Å; E528-K531 PolarHBondContact O-N 2.66Å; E528-K531 IonicContact OE1-NZ 3.24Å; E528-K531 PolarHBondContact OE1-NZ 3.29Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 2.94Å; K531-S534 PolarHBondContact O-OG 3.39Å; K531-Y535 PolarHBondContact O-N 3.15Å; K531-V578 HydrophobicContact CB-CG2 4.07Å; K531-V578 HydrophobicContact CD-CG2 4.32Å |
| 532 | L | 91.6 | Very high | 86 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -54.1 | 177.8 | 178.9 | 59.2 | 0 | 0 | 0 | 112.4 | E528 L529 S534 Y535 V536 I570 V578 A582 L585 | E528-L532 VanDerWaalsContact O-CB 3.28Å; E528-L532 WeakPolarHBondContact O-CB 3.41Å; E528-L532 PolarHBondContact O-N 2.98Å; L529-L532 HydrophobicContact CD2-CD2 4.47Å; L529-L532 WeakPolarHBondContact O-CB 3.22Å; L529-L532 PolarHBondContact O-N 3.46Å; L532-S534 PolarHBondContact O-N 3.48Å; L532-Y535 PolarHBondContact O-N 3.37Å; L532-Y535 VanDerWaalsContact O-N 3.12Å; L532-V536 HydrophobicContact CD1-CG2 3.85Å; L532-V536 HydrophobicContact CG-CG2 4.37Å; L532-V536 WeakPolarHBondContact O-CG2 3.46Å; L532-V536 PolarHBondContact O-N 3.21Å; L532-I570 HydrophobicContact CD1-CD1 3.93Å; L532-I570 HydrophobicContact CD1-CG1 4.32Å; L532-I570 HydrophobicContact CD1-CG2 4.26Å; L532-V578 HydrophobicContact CB-CG1 4Å; L532-V578 HydrophobicContact CD1-CG1 4.24Å; L532-A582 HydrophobicContact CD1-CB 3.78Å; L532-A582 HydrophobicContact CD2-CB 3.86Å; L532-A582 HydrophobicContact CG-CB 4.5Å; L532-L585 HydrophobicContact CD2-CD2 4.24Å |
| 533 | F | 92.4 | Very high | 87.2 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -36.5 | -178.8 | -74 | -70.3 | 0 | 0 | 0 | 112.2 | V489 I492 I493 H496 L512 L515 L529 Y535 V536 C537 L546 L585 | V489-F533 HydrophobicContact CG1-CE1 3.82Å; V489-F533 HydrophobicContact CG1-CZ 3.87Å; V489-F533 HydrophobicContact CG2-CZ 4.22Å; I492-F533 HydrophobicContact CG2-CB 4.24Å; I492-F533 HydrophobicContact CG2-CD1 3.8Å; I492-F533 HydrophobicContact CG2-CD2 3.78Å; I492-F533 HydrophobicContact CG2-CE1 4.07Å; I492-F533 HydrophobicContact CG2-CE2 4.05Å; I492-F533 HydrophobicContact CG2-CG 3.66Å; I492-F533 HydrophobicContact CG2-CZ 4.2Å; I493-F533 HydrophobicContact CG1-CE1 4.48Å; H496-F533 VanDerWaalsContact CE1-CB 3.45Å; H496-F533 WeakPolarHBondContact CE1-CB 3.42Å; L512-F533 HydrophobicContact CD2-CD2 3.55Å; L512-F533 HydrophobicContact CD2-CE2 4.03Å; L515-F533 HydrophobicContact CD2-CE2 3.82Å; L515-F533 HydrophobicContact CD2-CZ 4.06Å; L529-F533 HydrophobicContact CB-CD2 4.45Å; L529-F533 HydrophobicContact CB-CE2 4.49Å; L529-F533 HydrophobicContact CD2-CE2 4.18Å; L529-F533 VanDerWaalsContact O-CD2 3.22Å; L529-F533 WeakPolarHBondContact O-CD2 3.08Å; L529-F533 PolarHBondContact O-N 3.27Å; F533-Y535 PolarHBondContact O-N 3.35Å; F533-Y535 VanDerWaalsContact O-N 3.15Å; F533-V536 PolarHBondContact O-N 3.05Å; F533-C537 VanDerWaalsContact O-CB 3.26Å; F533-C537 WeakPolarHBondContact O-CB 3.21Å; F533-C537 PolarHBondContact O-N 3.4Å; F533-C537 PolarHBondContact O-SG 3.18Å; F533-L546 HydrophobicContact CE1-CD2 4.06Å; F533-L585 HydrophobicContact CE2-CD2 4.45Å; F533-L585 HydrophobicContact CZ-CD2 4.12Å |
| 534 | S | 89 | Confident | 88.5 | Confident | 69 Ų | 69 | 52.1 Ų | 52.1 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.4 | -25 | 172.9 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | Q530 K531 L532 S538 | Q530-S534 VanDerWaalsContact O-CB 3.3Å; Q530-S534 WeakPolarHBondContact O-CB 3.13Å; Q530-S534 PolarHBondContact O-N 3Å; Q530-S534 PolarHBondContact O-OG 2.97Å; K531-S534 PolarHBondContact O-OG 3.39Å; L532-S534 PolarHBondContact O-N 3.48Å; S534-S538 PolarHBondContact O-OG 3.08Å |
| 535 | Y | 88.4 | Confident | 89.6 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -85.7 | -52.9 | 171.9 | 175.2 | -111.3 | 0 | 0 | 0 | 111.9 | K531 L532 F533 C537 S538 D539 K569 I570 S573 | K531-Y535 PolarHBondContact O-N 3.15Å; L532-Y535 PolarHBondContact O-N 3.37Å; L532-Y535 VanDerWaalsContact O-N 3.12Å; F533-Y535 PolarHBondContact O-N 3.35Å; F533-Y535 VanDerWaalsContact O-N 3.15Å; Y535-C537 VanDerWaalsContact C-N 3.32Å; Y535-C537 PolarHBondContact O-N 3.2Å; Y535-S538 WeakPolarHBondContact O-CA 3.39Å; Y535-S538 WeakPolarHBondContact O-CB 3.43Å; Y535-S538 PolarHBondContact O-N 3.11Å; Y535-S538 PolarHBondContact O-OG 3.32Å; Y535-D539 PolarHBondContact O-N 3.01Å; Y535-K569 PolarHBondContact OH-O 3.41Å; Y535-I570 HydrophobicContact CD1-CG1 4.23Å; Y535-I570 HydrophobicContact CE1-CG1 4.08Å; Y535-S573 VanDerWaalsContact CE2-CB 3.45Å; Y535-S573 WeakPolarHBondContact CE2-OG 3.31Å; Y535-S573 VanDerWaalsContact CZ-CB 3.42Å; Y535-S573 PolarHBondContact OH-OG 2.96Å; Y535-S573 VanDerWaalsContact OH-OG 3.06Å |
| 536 | V | 90.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | -175.5 | 174.6 | 0 | 0 | 0 | 0 | 112 | L532 F533 S538 D539 A542 K543 L546 I570 | L532-V536 HydrophobicContact CD1-CG2 3.85Å; L532-V536 HydrophobicContact CG-CG2 4.37Å; L532-V536 WeakPolarHBondContact O-CG2 3.46Å; L532-V536 PolarHBondContact O-N 3.21Å; F533-V536 PolarHBondContact O-N 3.05Å; V536-S538 PolarHBondContact O-N 2.9Å; V536-D539 VanDerWaalsContact O-O 3.12Å; V536-A542 HydrophobicContact CG1-CB 4.22Å; V536-K543 WeakPolarHBondContact O-CB 3.42Å; V536-K543 PolarHBondContact O-N 3.35Å; V536-L546 HydrophobicContact CG1-CB 4.28Å; V536-L546 HydrophobicContact CG1-CD2 3.81Å; V536-I570 HydrophobicContact CG2-CD1 4.05Å; V536-I570 HydrophobicContact CG2-CG1 4.2Å |
| 537 | C | 89.4 | Confident | 90.7 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.1 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | H496 F533 Y535 | H496-C537 HydrophobicContact CB-CB 3.75Å; F533-C537 VanDerWaalsContact O-CB 3.26Å; F533-C537 WeakPolarHBondContact O-CB 3.21Å; F533-C537 PolarHBondContact O-N 3.4Å; F533-C537 PolarHBondContact O-SG 3.18Å; Y535-C537 VanDerWaalsContact C-N 3.32Å; Y535-C537 PolarHBondContact O-N 3.2Å |
| 538 | S | 88.6 | Confident | 91.1 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -8.8 | 176 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | S534 Y535 V536 | S534-S538 PolarHBondContact O-OG 3.08Å; Y535-S538 WeakPolarHBondContact O-CA 3.39Å; Y535-S538 WeakPolarHBondContact O-CB 3.43Å; Y535-S538 PolarHBondContact O-N 3.11Å; Y535-S538 PolarHBondContact O-OG 3.32Å; V536-S538 PolarHBondContact O-N 2.9Å |
| 539 | D | 90.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -117.6 | 106.3 | 176.1 | 178.7 | -51.2 | 0 | 0 | 0 | 107.3 | Y535 V536 E541 A542 K543 K569 | Y535-D539 PolarHBondContact O-N 3.01Å; V536-D539 VanDerWaalsContact O-O 3.12Å; D539-E541 PolarHBondContact O-N 3.29Å; D539-E541 PolarHBondContact OD1-N 2.86Å; D539-A542 HydrophobicContact CB-CB 3.83Å; D539-A542 WeakPolarHBondContact O-CB 3.13Å; D539-A542 PolarHBondContact O-N 3.45Å; D539-A542 PolarHBondContact OD1-N 3.11Å; D539-K543 PolarHBondContact O-N 2.96Å; D539-K569 IonicContact OD1-NZ 2.82Å; D539-K569 PolarHBondContact OD1-NZ 3.21Å; D539-K569 IonicContact OD2-NZ 4Å; D539-K569 PolarHBondContact OD2-NZ 2.97Å |
| 540 | E | 90.3 | Very high | 91.4 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.7 | -34.3 | -172.5 | -71.3 | -60.8 | 126.8 | 0 | 0 | 112.9 | K543 S544 | E540-K543 WeakPolarHBondContact OE1-CE 3.49Å; E540-K543 IonicContact OE1-NZ 3.66Å; E540-K543 PolarHBondContact OE1-NZ 2.85Å; E540-K543 WeakPolarHBondContact OE2-CE 3.36Å; E540-K543 IonicContact OE2-NZ 2.63Å; E540-K543 PolarHBondContact OE2-NZ 2.98Å; E540-S544 WeakPolarHBondContact O-CB 3.38Å; E540-S544 PolarHBondContact O-N 3.26Å |
| 541 | E | 91.8 | Very high | 91.3 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.3 | -42.7 | 175.4 | -63.3 | 172.3 | 163 | 0 | 0 | 110.9 | D539 K543 S544 Y545 K569 | D539-E541 PolarHBondContact O-N 3.29Å; D539-E541 PolarHBondContact OD1-N 2.86Å; E541-K543 PolarHBondContact O-N 3.08Å; E541-S544 WeakPolarHBondContact O-CB 3.47Å; E541-S544 PolarHBondContact O-N 2.85Å; E541-Y545 HydrophobicContact CB-CE2 4.26Å; E541-Y545 WeakPolarHBondContact O-CD2 3.47Å; E541-Y545 PolarHBondContact O-N 3.38Å; E541-K569 HydrophobicContact CB-CD 4.44Å; E541-K569 WeakPolarHBondContact OE2-CE 3.16Å; E541-K569 IonicContact OE2-NZ 3.17Å; E541-K569 PolarHBondContact OE2-NZ 3.27Å |
| 542 | A | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V536 D539 S544 L546 L566 K569 | V536-A542 HydrophobicContact CG1-CB 4.22Å; D539-A542 HydrophobicContact CB-CB 3.83Å; D539-A542 WeakPolarHBondContact O-CB 3.13Å; D539-A542 PolarHBondContact O-N 3.45Å; D539-A542 PolarHBondContact OD1-N 3.11Å; A542-S544 VanDerWaalsContact C-N 3.34Å; A542-L546 WeakPolarHBondContact O-CB 3.13Å; A542-L546 PolarHBondContact O-N 3.41Å; A542-L566 HydrophobicContact CB-CD1 3.82Å; A542-L566 WeakPolarHBondContact O-CD1 3.27Å; A542-K569 HydrophobicContact CB-CD 4.19Å |
| 543 | K | 93.2 | Very high | 90.9 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 173.6 | -167.9 | 179.3 | 64.6 | -179.2 | 0 | 111.2 | I493 E497 V536 D539 E540 E541 L546 R547 | I493-K543 HydrophobicContact CG2-CD 4Å; I493-K543 HydrophobicContact CG2-CG 3.83Å; E497-K543 WeakPolarHBondContact OE1-CD 3.41Å; E497-K543 WeakPolarHBondContact OE1-CE 3.38Å; E497-K543 IonicContact OE1-NZ 2.68Å; E497-K543 PolarHBondContact OE1-NZ 3.36Å; V536-K543 WeakPolarHBondContact O-CB 3.42Å; V536-K543 PolarHBondContact O-N 3.35Å; D539-K543 PolarHBondContact O-N 2.96Å; E540-K543 WeakPolarHBondContact OE1-CE 3.49Å; E540-K543 IonicContact OE1-NZ 3.66Å; E540-K543 PolarHBondContact OE1-NZ 2.85Å; E540-K543 WeakPolarHBondContact OE2-CE 3.36Å; E540-K543 IonicContact OE2-NZ 2.63Å; E540-K543 PolarHBondContact OE2-NZ 2.98Å; E541-K543 PolarHBondContact O-N 3.08Å; K543-L546 PolarHBondContact O-N 2.83Å; K543-R547 PolarHBondContact O-N 2.89Å |
| 544 | S | 93.2 | Very high | 90.6 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.6 | -52.3 | 176 | 180 | 0 | 0 | 0 | 0 | 111.9 | E540 E541 A542 L546 R547 H548 | E540-S544 WeakPolarHBondContact O-CB 3.38Å; E540-S544 PolarHBondContact O-N 3.26Å; E541-S544 WeakPolarHBondContact O-CB 3.47Å; E541-S544 PolarHBondContact O-N 2.85Å; A542-S544 VanDerWaalsContact C-N 3.34Å; S544-L546 VanDerWaalsContact C-N 3.28Å; S544-L546 PolarHBondContact O-N 3.02Å; S544-R547 PolarHBondContact O-N 2.9Å; S544-R547 VanDerWaalsContact O-N 3.16Å; S544-H548 PolarHBondContact O-N 3.29Å; S544-H548 PolarHBondContact O-ND1 3.04Å; S544-H548 PolarHBondContact OG-CE1 2.88Å; S544-H548 PolarHBondContact OG-ND1 3.11Å |
| 545 | Y | 94.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.2 | -43 | 175.6 | -69.5 | -57.4 | 0 | 0 | 0 | 111.6 | E541 H548 I549 C562 K569 | E541-Y545 HydrophobicContact CB-CE2 4.26Å; E541-Y545 WeakPolarHBondContact O-CD2 3.47Å; E541-Y545 PolarHBondContact O-N 3.38Å; Y545-H548 PolarHBondContact O-N 3.04Å; Y545-I549 WeakPolarHBondContact O-CD1 3.25Å; Y545-I549 VanDerWaalsContact O-CG1 3.23Å; Y545-I549 WeakPolarHBondContact O-CG1 3.26Å; Y545-I549 PolarHBondContact O-N 3.36Å; Y545-C562 HydrophobicContact CD1-CB 4.27Å; Y545-K569 HydrophobicContact CD2-CD 4.44Å; Y545-K569 HydrophobicContact CE2-CD 4.28Å |
| 546 | L | 94.4 | Very high | 90.7 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 177.5 | -176.3 | 56.6 | 0 | 0 | 0 | 112.1 | V489 I493 F533 V536 A542 K543 S544 H548 I549 L550 L566 L586 | V489-L546 HydrophobicContact CG1-CD2 4.2Å; I493-L546 HydrophobicContact CD1-CD2 3.79Å; I493-L546 HydrophobicContact CD1-CG 4.01Å; I493-L546 HydrophobicContact CG1-CD2 4.43Å; F533-L546 HydrophobicContact CE1-CD2 4.06Å; V536-L546 HydrophobicContact CG1-CB 4.28Å; V536-L546 HydrophobicContact CG1-CD2 3.81Å; A542-L546 WeakPolarHBondContact O-CB 3.13Å; A542-L546 PolarHBondContact O-N 3.41Å; K543-L546 PolarHBondContact O-N 2.83Å; S544-L546 VanDerWaalsContact C-N 3.28Å; S544-L546 PolarHBondContact O-N 3.02Å; L546-H548 PolarHBondContact O-N 2.81Å; L546-I549 PolarHBondContact O-N 2.64Å; L546-L550 HydrophobicContact CD1-CD1 3.85Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 3.8Å; L546-L550 HydrophobicContact CG-CG 4.5Å; L546-L550 WeakPolarHBondContact O-CB 3.42Å; L546-L550 WeakPolarHBondContact O-CD1 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.43Å; L546-L550 PolarHBondContact O-N 2.89Å; L546-L566 HydrophobicContact CB-CD2 3.99Å; L546-L566 HydrophobicContact CD1-CD2 4.21Å; L546-L586 HydrophobicContact CD1-CD2 4.08Å |
| 547 | R | 93.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 46 Ų | 46 | 27% | 0.272 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.2 | -84 | -173.9 | 165.6 | 138.4 | -3.1 | 112.5 | L490 I493 D494 E497 K543 S544 L550 S551 | L490-R547 HydrophobicContact CD2-CG 4.27Å; I493-R547 HydrophobicContact CD1-CG 4.31Å; D494-R547 IonicContact OD1-CZ 3.78Å; D494-R547 IonicContact OD1-NE 3.15Å; D494-R547 IonicContact OD1-NH2 3.75Å; D494-R547 PolarHBondContact OD1-NH2 2.89Å; E497-R547 VanDerWaalsContact CD-NH1 3.28Å; E497-R547 IonicContact OE1-CZ 3.57Å; E497-R547 IonicContact OE1-NH1 3.48Å; E497-R547 PolarHBondContact OE1-NH1 3.24Å; E497-R547 IonicContact OE1-NH2 3.99Å; E497-R547 IonicContact OE2-CZ 3.1Å; E497-R547 IonicContact OE2-NH1 3.08Å; E497-R547 PolarHBondContact OE2-NH1 3.07Å; E497-R547 IonicContact OE2-NH2 2.72Å; E497-R547 PolarHBondContact OE2-NH2 2.77Å; K543-R547 PolarHBondContact O-N 2.89Å; S544-R547 PolarHBondContact O-N 2.9Å; S544-R547 VanDerWaalsContact O-N 3.16Å; R547-L550 CarbonylContact O-C 3.59Å; R547-L550 PolarHBondContact O-N 2.93Å; R547-S551 PolarHBondContact O-N 2.93Å |
| 548 | H | 91.5 | Very high | 90.8 | Very high | 90 Ų | 90 | 46.6 Ų | 46.6 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 175 | -71.1 | 106.6 | 0 | 0 | 0 | 112.7 | S544 Y545 L546 L550 S551 L554 | S544-H548 PolarHBondContact O-N 3.29Å; S544-H548 PolarHBondContact O-ND1 3.04Å; S544-H548 PolarHBondContact OG-CE1 2.88Å; S544-H548 PolarHBondContact OG-ND1 3.11Å; Y545-H548 PolarHBondContact O-N 3.04Å; L546-H548 PolarHBondContact O-N 2.81Å; H548-L550 PolarHBondContact O-N 3.44Å; H548-S551 WeakPolarHBondContact O-CB 3.18Å; H548-S551 PolarHBondContact O-N 3.28Å; H548-S551 VanDerWaalsContact O-N 3.09Å; H548-S551 PolarHBondContact O-OG 3.22Å; H548-L554 HydrophobicContact CB-CD1 4.21Å |
| 549 | I | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -35.1 | 174 | -67.1 | 159 | 0 | 0 | 0 | 111.5 | Y545 L546 C562 V563 L566 L586 A590 P591 | Y545-I549 WeakPolarHBondContact O-CD1 3.25Å; Y545-I549 VanDerWaalsContact O-CG1 3.23Å; Y545-I549 WeakPolarHBondContact O-CG1 3.26Å; Y545-I549 PolarHBondContact O-N 3.36Å; L546-I549 PolarHBondContact O-N 2.64Å; I549-C562 HydrophobicContact CD1-CB 3.89Å; I549-C562 HydrophobicContact CG1-CB 3.62Å; I549-V563 HydrophobicContact CD1-CG2 3.7Å; I549-V563 HydrophobicContact CG1-CG2 4.18Å; I549-V563 HydrophobicContact CG2-CG2 4.46Å; I549-L566 HydrophobicContact CD1-CD2 3.93Å; I549-L586 HydrophobicContact CD1-CD2 4.31Å; I549-A590 HydrophobicContact CG2-CB 3.76Å; I549-P591 WeakPolarHBondContact O-CD 3.44Å |
| 550 | L | 92.8 | Very high | 91 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.3 | -11.5 | 179.5 | -64.5 | 169.1 | 0 | 0 | 0 | 113.8 | R486 V489 L490 I493 L546 R547 H548 L552 V589 | R486-L550 HydrophobicContact CB-CD2 4.09Å; R486-L550 HydrophobicContact CG-CD2 3.7Å; V489-L550 HydrophobicContact CB-CD1 4.13Å; V489-L550 HydrophobicContact CB-CD2 4.5Å; V489-L550 HydrophobicContact CG1-CD1 3.49Å; V489-L550 VanDerWaalsContact CG1-CD1 3.49Å; V489-L550 HydrophobicContact CG1-CD2 4.45Å; L490-L550 HydrophobicContact CD2-CB 3.89Å; L490-L550 HydrophobicContact CD2-CD1 3.83Å; L490-L550 HydrophobicContact CG-CB 4.18Å; L490-L550 HydrophobicContact CG-CD1 4.08Å; I493-L550 HydrophobicContact CD1-CD1 4.12Å; L546-L550 HydrophobicContact CD1-CD1 3.85Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 3.8Å; L546-L550 HydrophobicContact CG-CG 4.5Å; L546-L550 WeakPolarHBondContact O-CB 3.42Å; L546-L550 WeakPolarHBondContact O-CD1 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.43Å; L546-L550 PolarHBondContact O-N 2.89Å; R547-L550 CarbonylContact O-C 3.59Å; R547-L550 PolarHBondContact O-N 2.93Å; H548-L550 PolarHBondContact O-N 3.44Å; L550-L552 VanDerWaalsContact C-N 3.27Å; L550-L552 PolarHBondContact O-N 3Å; L550-V589 HydrophobicContact CD2-CB 4.09Å; L550-V589 HydrophobicContact CD2-CG2 4.03Å |
| 551 | S | 87.6 | Confident | 91.1 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73 | -21.2 | -176.1 | 97 | 0 | 0 | 0 | 0 | 112.9 | R547 H548 E553 K641 | R547-S551 PolarHBondContact O-N 2.93Å; H548-S551 WeakPolarHBondContact O-CB 3.18Å; H548-S551 PolarHBondContact O-N 3.28Å; H548-S551 VanDerWaalsContact O-N 3.09Å; H548-S551 PolarHBondContact O-OG 3.22Å; S551-E553 WeakPolarHBondContact CB-OE2 3.38Å; S551-E553 PolarHBondContact O-N 3.49Å; S551-E553 WeakPolarHBondContact OG-CB 3.31Å; S551-E553 PolarHBondContact OG-N 3.42Å; S551-E553 PolarHBondContact OG-OE2 2.85Å; S551-K641 WeakPolarHBondContact O-CD 3.39Å |
| 552 | L | 87.6 | Confident | 91.2 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.12 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 64.7 | 12.6 | -178.3 | -57.2 | 173.1 | 0 | 0 | 0 | 115.2 | L550 P591 F639 K641 | L550-L552 VanDerWaalsContact C-N 3.27Å; L550-L552 PolarHBondContact O-N 3Å; L552-P591 HydrophobicContact CD2-CB 3.7Å; L552-P591 HydrophobicContact CD2-CG 3.88Å; L552-F639 HydrophobicContact CD2-CD1 3.99Å; L552-F639 HydrophobicContact CD2-CE1 4.41Å; L552-K641 HydrophobicContact CB-CB 4.11Å |
| 553 | E | 83 | Confident | 91.2 | Very high | 38 Ų | 38 | 40 Ų | 40 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | trans | -94.3 | -21.6 | -178.6 | -65.6 | 150.1 | 154.6 | 0 | 0 | 112.2 | S551 R596 K641 R688 | S551-E553 WeakPolarHBondContact CB-OE2 3.38Å; S551-E553 PolarHBondContact O-N 3.49Å; S551-E553 WeakPolarHBondContact OG-CB 3.31Å; S551-E553 PolarHBondContact OG-N 3.42Å; S551-E553 PolarHBondContact OG-OE2 2.85Å; E553-R596 PolarHBondContact O-NH1 2.93Å; E553-K641 HydrophobicContact CG-CB 4.31Å; E553-K641 HydrophobicContact CG-CD 4.06Å; E553-K641 WeakPolarHBondContact OE1-CE 3.31Å; E553-K641 IonicContact OE1-NZ 3.37Å; E553-K641 PolarHBondContact OE1-NZ 2.94Å; E553-K641 IonicContact OE2-NZ 3.75Å; E553-R688 IonicContact OE1-CZ 2.73Å; E553-R688 VanDerWaalsContact OE1-CZ 3.25Å; E553-R688 IonicContact OE1-NH1 2.77Å; E553-R688 PolarHBondContact OE1-NH1 3.01Å; E553-R688 IonicContact OE1-NH2 2.59Å; E553-R688 PolarHBondContact OE1-NH2 3.46Å | ||
| 554 | L | 87.9 | Confident | 91.2 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -68.9 | 145.8 | 178.8 | -62.3 | -173.7 | 0 | 0 | 0 | 113.2 | H548 E558 V559 | H548-L554 HydrophobicContact CB-CD1 4.21Å; L554-E558 WeakPolarHBondContact CA-OE2 3.44Å; L554-E558 HydrophobicContact CB-CB 4.05Å; L554-E558 HydrophobicContact CD1-CB 4.34Å; L554-E558 HydrophobicContact CD2-CB 4.02Å; L554-E558 HydrophobicContact CG-CB 4.36Å; L554-V559 HydrophobicContact CB-CG2 3.63Å; L554-V559 HydrophobicContact CD1-CG2 4.16Å |
| 555 | L | 89.6 | Confident | 91.2 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | trans | -72.5 | 155.9 | 162.6 | -69 | 172.6 | 0 | 0 | 0 | 111.1 | F557 E558 V559 D595 R596 E597 | L555-F557 HydrophobicContact CB-CD1 3.92Å; L555-F557 HydrophobicContact CB-CE1 3.95Å; L555-F557 HydrophobicContact CD1-CD1 4.3Å; L555-F557 HydrophobicContact CD1-CE1 3.63Å; L555-F557 HydrophobicContact CG-CE1 4.44Å; L555-F557 PolarHBondContact O-N 3.2Å; L555-E558 HydrophobicContact CB-CG 4.31Å; L555-E558 PolarHBondContact N-OE2 3.26Å; L555-E558 PolarHBondContact O-N 3.36Å; L555-V559 WeakPolarHBondContact O-CG2 3.38Å; L555-V559 PolarHBondContact O-N 3.33Å; L555-D595 HydrophobicContact CD2-CB 4.22Å; L555-R596 VanDerWaalsContact CD1-NH2 3.35Å; L555-R596 HydrophobicContact CD2-CG 3.77Å; L555-E597 HydrophobicContact CD2-CB 4.27Å; L555-E597 HydrophobicContact CD2-CG 3.77Å | ||
| 556 | K | 90 | Very high | 91.2 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.5 | -23.5 | -178.1 | 178.5 | -88.4 | 148.1 | -163.3 | 0 | 114.7 | H449 D560 D595 | H449-K556 VanDerWaalsContact O-CE 3.27Å; H449-K556 WeakPolarHBondContact O-CE 3.27Å; K556-D560 WeakPolarHBondContact CE-OD2 3.29Å; K556-D560 IonicContact NZ-OD1 3.35Å; K556-D560 IonicContact NZ-OD2 2.74Å; K556-D560 PolarHBondContact NZ-OD2 2.97Å; K556-D560 PolarHBondContact O-N 3.24Å; K556-D595 WeakPolarHBondContact CB-OD2 3.42Å; K556-D595 PolarHBondContact N-OD2 3.08Å |
| 557 | F | 89 | Confident | 91.1 | Very high | 117 Ų | 117 | 40.4 Ų | 40.4 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -80.2 | -43.6 | 174.4 | 78.6 | -96.3 | 0 | 0 | 0 | 112.4 | L555 V559 D560 E561 | L555-F557 HydrophobicContact CB-CD1 3.92Å; L555-F557 HydrophobicContact CB-CE1 3.95Å; L555-F557 HydrophobicContact CD1-CD1 4.3Å; L555-F557 HydrophobicContact CD1-CE1 3.63Å; L555-F557 HydrophobicContact CG-CE1 4.44Å; L555-F557 PolarHBondContact O-N 3.2Å; F557-V559 PolarHBondContact O-N 3.4Å; F557-D560 PolarHBondContact O-N 3.17Å; F557-D560 VanDerWaalsContact O-N 3.1Å; F557-E561 PolarHBondContact O-N 3.34Å; F557-E561 VanDerWaalsContact O-N 3.1Å |
| 558 | E | 91.5 | Very high | 91 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -36.1 | 174.9 | -53.6 | 174.8 | 123.7 | 0 | 0 | 110.5 | L554 L555 C562 R596 | L554-E558 WeakPolarHBondContact CA-OE2 3.44Å; L554-E558 HydrophobicContact CB-CB 4.05Å; L554-E558 HydrophobicContact CD1-CB 4.34Å; L554-E558 HydrophobicContact CD2-CB 4.02Å; L554-E558 HydrophobicContact CG-CB 4.36Å; L555-E558 HydrophobicContact CB-CG 4.31Å; L555-E558 PolarHBondContact N-OE2 3.26Å; L555-E558 PolarHBondContact O-N 3.36Å; E558-C562 WeakPolarHBondContact O-CB 3.25Å; E558-C562 PolarHBondContact O-N 2.97Å; E558-C562 PolarHBondContact O-SG 2.82Å; E558-R596 IonicContact OE2-NH1 2.83Å; E558-R596 PolarHBondContact OE2-NH1 2.7Å |
| 559 | V | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | L554 L555 F557 C562 V563 A590 P591 V592 | L554-V559 HydrophobicContact CB-CG2 3.63Å; L554-V559 HydrophobicContact CD1-CG2 4.16Å; L555-V559 WeakPolarHBondContact O-CG2 3.38Å; L555-V559 PolarHBondContact O-N 3.33Å; F557-V559 PolarHBondContact O-N 3.4Å; V559-C562 PolarHBondContact O-N 3.03Å; V559-V563 HydrophobicContact CG1-CG2 4.33Å; V559-V563 WeakPolarHBondContact O-CB 3.24Å; V559-V563 VanDerWaalsContact O-CG2 3.24Å; V559-V563 WeakPolarHBondContact O-CG2 3.4Å; V559-V563 PolarHBondContact O-N 3.43Å; V559-A590 HydrophobicContact CG1-CB 4.01Å; V559-P591 HydrophobicContact CG1-CG 4.44Å; V559-P591 HydrophobicContact CG2-CG 3.84Å; V559-V592 HydrophobicContact CG1-CG1 4.34Å |
| 560 | D | 91.2 | Very high | 90.6 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 179 | -80.3 | -1.9 | 0 | 0 | 0 | 110.5 | K556 F557 V563 D564 | K556-D560 WeakPolarHBondContact CE-OD2 3.29Å; K556-D560 IonicContact NZ-OD1 3.35Å; K556-D560 IonicContact NZ-OD2 2.74Å; K556-D560 PolarHBondContact NZ-OD2 2.97Å; K556-D560 PolarHBondContact O-N 3.24Å; F557-D560 PolarHBondContact O-N 3.17Å; F557-D560 VanDerWaalsContact O-N 3.1Å; D560-V563 PolarHBondContact O-N 3.27Å; D560-D564 PolarHBondContact O-N 3.09Å |
| 561 | E | 92.7 | Very high | 89.9 | Confident | 129 Ų | 129 | 39.3 Ų | 39.3 | 60% | 0.603 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.5 | -41.5 | 178.7 | -68.9 | -174.7 | 171.4 | 0 | 0 | 112.6 | F557 S565 | F557-E561 PolarHBondContact O-N 3.34Å; F557-E561 VanDerWaalsContact O-N 3.1Å; E561-S565 VanDerWaalsContact O-CB 3.27Å; E561-S565 WeakPolarHBondContact O-CB 3.22Å; E561-S565 PolarHBondContact O-N 3.14Å; E561-S565 PolarHBondContact O-OG 2.89Å |
| 562 | C | 93.3 | Very high | 89.1 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 173.7 | -69.4 | 0 | 0 | 0 | 0 | 112 | Y545 I549 E558 V559 L566 | Y545-C562 HydrophobicContact CD1-CB 4.27Å; I549-C562 HydrophobicContact CD1-CB 3.89Å; I549-C562 HydrophobicContact CG1-CB 3.62Å; E558-C562 WeakPolarHBondContact O-CB 3.25Å; E558-C562 PolarHBondContact O-N 2.97Å; E558-C562 PolarHBondContact O-SG 2.82Å; V559-C562 PolarHBondContact O-N 3.03Å; C562-L566 VanDerWaalsContact O-CB 3.24Å; C562-L566 WeakPolarHBondContact O-CB 3.39Å; C562-L566 PolarHBondContact O-N 3.18Å |
| 563 | V | 94 | Very high | 88.6 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 179.2 | 163.8 | 0 | 0 | 0 | 0 | 111.3 | I549 V559 D560 L566 L567 A590 | I549-V563 HydrophobicContact CD1-CG2 3.7Å; I549-V563 HydrophobicContact CG1-CG2 4.18Å; I549-V563 HydrophobicContact CG2-CG2 4.46Å; V559-V563 HydrophobicContact CG1-CG2 4.33Å; V559-V563 WeakPolarHBondContact O-CB 3.24Å; V559-V563 VanDerWaalsContact O-CG2 3.24Å; V559-V563 WeakPolarHBondContact O-CG2 3.4Å; V559-V563 PolarHBondContact O-N 3.43Å; D560-V563 PolarHBondContact O-N 3.27Å; V563-L566 PolarHBondContact O-N 2.7Å; V563-L567 HydrophobicContact CG1-CD1 3.75Å; V563-L567 HydrophobicContact CG1-CG 4.46Å; V563-L567 VanDerWaalsContact O-CB 3.29Å; V563-L567 WeakPolarHBondContact O-CB 3.27Å; V563-L567 VanDerWaalsContact O-CG 3.27Å; V563-L567 WeakPolarHBondContact O-CG 3.36Å; V563-L567 PolarHBondContact O-N 3.4Å; V563-A590 HydrophobicContact CG2-CB 4.18Å |
| 564 | D | 93.1 | Very high | 88.6 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 54% | 0.54 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.7 | -35.4 | 178.1 | -87.4 | -19.4 | 0 | 0 | 0 | 112 | D560 L567 S568 | D560-D564 PolarHBondContact O-N 3.09Å; D564-L567 PolarHBondContact O-N 3.46Å; D564-S568 VanDerWaalsContact O-CB 3.27Å; D564-S568 WeakPolarHBondContact O-CB 3.19Å; D564-S568 PolarHBondContact O-N 3.04Å |
| 565 | S | 93.5 | Very high | 88.6 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 32% | 0.315 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 172.5 | -61 | 0 | 0 | 0 | 0 | 112.1 | E561 S568 K569 | E561-S565 VanDerWaalsContact O-CB 3.27Å; E561-S565 WeakPolarHBondContact O-CB 3.22Å; E561-S565 PolarHBondContact O-N 3.14Å; E561-S565 PolarHBondContact O-OG 2.89Å; S565-S568 WeakPolarHBondContact O-CB 3.29Å; S565-S568 PolarHBondContact O-N 2.87Å; S565-K569 PolarHBondContact O-N 3.27Å; S565-K569 VanDerWaalsContact O-N 3.14Å |
| 566 | L | 93.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 176.4 | 178.5 | 56.8 | 0 | 0 | 0 | 112.1 | A542 L546 I549 C562 V563 S568 K569 I570 L586 | A542-L566 HydrophobicContact CB-CD1 3.82Å; A542-L566 WeakPolarHBondContact O-CD1 3.27Å; L546-L566 HydrophobicContact CB-CD2 3.99Å; L546-L566 HydrophobicContact CD1-CD2 4.21Å; I549-L566 HydrophobicContact CD1-CD2 3.93Å; C562-L566 VanDerWaalsContact O-CB 3.24Å; C562-L566 WeakPolarHBondContact O-CB 3.39Å; C562-L566 PolarHBondContact O-N 3.18Å; V563-L566 PolarHBondContact O-N 2.7Å; L566-S568 VanDerWaalsContact C-N 3.29Å; L566-S568 PolarHBondContact O-N 3.17Å; L566-K569 PolarHBondContact O-N 2.88Å; L566-I570 HydrophobicContact CD1-CD1 3.8Å; L566-I570 HydrophobicContact CD1-CG1 4.31Å; L566-I570 HydrophobicContact CG-CD1 3.83Å; L566-I570 WeakPolarHBondContact O-CD1 3.44Å; L566-I570 VanDerWaalsContact O-CG1 3.29Å; L566-I570 WeakPolarHBondContact O-CG1 3.39Å; L566-I570 PolarHBondContact O-N 2.94Å; L566-L586 HydrophobicContact CD2-CD1 3.96Å; L566-L586 HydrophobicContact CD2-CD2 3.96Å; L566-L586 HydrophobicContact CG-CD1 4.32Å |
| 567 | L | 92.4 | Very high | 88.4 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.8 | -27.6 | 176.6 | -75.9 | 172.3 | 0 | 0 | 0 | 113 | V563 D564 G571 A582 R583 L586 | V563-L567 HydrophobicContact CG1-CD1 3.75Å; V563-L567 HydrophobicContact CG1-CG 4.46Å; V563-L567 VanDerWaalsContact O-CB 3.29Å; V563-L567 WeakPolarHBondContact O-CB 3.27Å; V563-L567 VanDerWaalsContact O-CG 3.27Å; V563-L567 WeakPolarHBondContact O-CG 3.36Å; V563-L567 PolarHBondContact O-N 3.4Å; D564-L567 PolarHBondContact O-N 3.46Å; L567-G571 WeakPolarHBondContact O-CA 3.47Å; L567-G571 PolarHBondContact O-N 3.33Å; L567-A582 HydrophobicContact CD2-CB 4.35Å; L567-R583 HydrophobicContact CD1-CG 4.49Å; L567-R583 HydrophobicContact CD2-CB 4.15Å; L567-L586 HydrophobicContact CD1-CD1 4.39Å; L567-L586 HydrophobicContact CD2-CD1 3.86Å; L567-L586 HydrophobicContact CG-CD1 3.84Å |
| 568 | S | 90.4 | Very high | 88.4 | Confident | 80 Ų | 80 | 49.9 Ų | 49.9 | 56% | 0.559 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.4 | -49.3 | 171.9 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | D564 S565 L566 I570 G571 D572 | D564-S568 VanDerWaalsContact O-CB 3.27Å; D564-S568 WeakPolarHBondContact O-CB 3.19Å; D564-S568 PolarHBondContact O-N 3.04Å; S565-S568 WeakPolarHBondContact O-CB 3.29Å; S565-S568 PolarHBondContact O-N 2.87Å; L566-S568 VanDerWaalsContact C-N 3.29Å; L566-S568 PolarHBondContact O-N 3.17Å; S568-I570 PolarHBondContact O-N 3.49Å; S568-G571 WeakPolarHBondContact O-CA 3.41Å; S568-G571 PolarHBondContact O-N 3.11Å; S568-D572 PolarHBondContact O-N 3.43Å |
| 569 | K | 88.5 | Confident | 88.2 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 174.2 | -84.3 | 174.4 | 164.5 | -88.8 | 0 | 113.1 | Y535 D539 E541 A542 Y545 S565 L566 G571 | Y535-K569 PolarHBondContact OH-O 3.41Å; D539-K569 IonicContact OD1-NZ 2.82Å; D539-K569 PolarHBondContact OD1-NZ 3.21Å; D539-K569 IonicContact OD2-NZ 4Å; D539-K569 PolarHBondContact OD2-NZ 2.97Å; E541-K569 HydrophobicContact CB-CD 4.44Å; E541-K569 WeakPolarHBondContact OE2-CE 3.16Å; E541-K569 IonicContact OE2-NZ 3.17Å; E541-K569 PolarHBondContact OE2-NZ 3.27Å; A542-K569 HydrophobicContact CB-CD 4.19Å; Y545-K569 HydrophobicContact CD2-CD 4.44Å; Y545-K569 HydrophobicContact CE2-CD 4.28Å; S565-K569 PolarHBondContact O-N 3.27Å; S565-K569 VanDerWaalsContact O-N 3.14Å; L566-K569 PolarHBondContact O-N 2.88Å; K569-G571 PolarHBondContact O-N 2.93Å |
| 570 | I | 88.3 | Confident | 88 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -27.4 | 173.2 | -62.5 | 162.8 | 0 | 0 | 0 | 110.7 | L532 Y535 V536 L566 S568 C574 R579 A582 | L532-I570 HydrophobicContact CD1-CD1 3.93Å; L532-I570 HydrophobicContact CD1-CG1 4.32Å; L532-I570 HydrophobicContact CD1-CG2 4.26Å; Y535-I570 HydrophobicContact CD1-CG1 4.23Å; Y535-I570 HydrophobicContact CE1-CG1 4.08Å; V536-I570 HydrophobicContact CG2-CD1 4.05Å; V536-I570 HydrophobicContact CG2-CG1 4.2Å; L566-I570 HydrophobicContact CD1-CD1 3.8Å; L566-I570 HydrophobicContact CD1-CG1 4.31Å; L566-I570 HydrophobicContact CG-CD1 3.83Å; L566-I570 WeakPolarHBondContact O-CD1 3.44Å; L566-I570 VanDerWaalsContact O-CG1 3.29Å; L566-I570 WeakPolarHBondContact O-CG1 3.39Å; L566-I570 PolarHBondContact O-N 2.94Å; S568-I570 PolarHBondContact O-N 3.49Å; I570-C574 HydrophobicContact CG2-CB 3.91Å; I570-C574 WeakPolarHBondContact O-CB 3.35Å; I570-C574 PolarHBondContact O-N 2.85Å; I570-C574 VanDerWaalsContact O-N 3.16Å; I570-R579 HydrophobicContact CG2-CG 4.38Å; I570-A582 HydrophobicContact CD1-CB 4.05Å; I570-A582 HydrophobicContact CG2-CB 4.08Å |
| 571 | G | 79.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 53 Ų | 53 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -47.5 | -62.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L567 S568 K569 R579 | L567-G571 WeakPolarHBondContact O-CA 3.47Å; L567-G571 PolarHBondContact O-N 3.33Å; S568-G571 WeakPolarHBondContact O-CA 3.41Å; S568-G571 PolarHBondContact O-N 3.11Å; K569-G571 PolarHBondContact O-N 2.93Å; G571-R579 PolarHBondContact O-NE 2.96Å; G571-R579 VanDerWaalsContact O-NE 3.17Å; G571-R579 PolarHBondContact O-NH2 3.22Å |
| 572 | D | 71.6 | Confident | 87.8 | Confident | 156 Ų | 156 | 46.9 Ų | 46.9 | 83% | 0.834 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -75.7 | -32 | -172 | -76.7 | -19.6 | 0 | 0 | 0 | 113.8 | S568 | S568-D572 PolarHBondContact O-N 3.43Å |
| 573 | S | 76.1 | Confident | 87.7 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -92.8 | -29.3 | -169.7 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | Y535 | Y535-S573 VanDerWaalsContact CE2-CB 3.45Å; Y535-S573 WeakPolarHBondContact CE2-OG 3.31Å; Y535-S573 VanDerWaalsContact CZ-CB 3.42Å; Y535-S573 PolarHBondContact OH-OG 2.96Å; Y535-S573 VanDerWaalsContact OH-OG 3.06Å |
| 574 | C | 83.6 | Confident | 87.4 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 14% | 0.142 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -101.1 | 158.8 | -169.7 | -76.6 | 0 | 0 | 0 | 0 | 115 | I570 V578 R579 | I570-C574 HydrophobicContact CG2-CB 3.91Å; I570-C574 WeakPolarHBondContact O-CB 3.35Å; I570-C574 PolarHBondContact O-N 2.85Å; I570-C574 VanDerWaalsContact O-N 3.16Å; C574-V578 HydrophobicContact CB-CB 4.2Å; C574-V578 HydrophobicContact CB-CG1 3.9Å; C574-R579 PolarHBondContact O-NH2 3.34Å |
| 575 | S | 88 | Confident | 87.3 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 47% | 0.469 | 29% | 0.288 | S | S | . | . | trans | -66.9 | 155.3 | 171.6 | 79.1 | 0 | 0 | 0 | 0 | 112 | V577 V578 R579 | S575-V577 PolarHBondContact O-N 2.98Å; S575-V578 PolarHBondContact O-N 3.19Å; S575-V578 VanDerWaalsContact O-N 3.16Å; S575-V578 WeakPolarHBondContact OG-CG2 3.13Å; S575-V578 PolarHBondContact OG-N 2.88Å; S575-R579 PolarHBondContact O-N 3.39Å | ||
| 576 | A | 88 | Confident | 87.2 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 58% | 0.579 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58.4 | -32 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | S580 | A576-S580 PolarHBondContact O-N 2.97Å; A576-S580 VanDerWaalsContact O-N 3.14Å |
| 577 | V | 86.8 | Confident | 87 | Confident | 92 Ų | 92 | 51 Ų | 51 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.8 | -49.6 | 176.7 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | E528 S575 R579 S580 T581 | E528-V577 HydrophobicContact CG-CG1 3.86Å; S575-V577 PolarHBondContact O-N 2.98Å; V577-R579 PolarHBondContact O-N 3.19Å; V577-S580 WeakPolarHBondContact O-CA 3.38Å; V577-S580 WeakPolarHBondContact O-CB 3.38Å; V577-S580 PolarHBondContact O-N 3.04Å; V577-T581 PolarHBondContact O-N 2.86Å; V577-T581 PolarHBondContact O-OG1 3.3Å |
| 578 | V | 88.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.2 | E528 K531 L532 C574 S575 T581 A582 | E528-V578 HydrophobicContact CB-CG2 4.21Å; E528-V578 HydrophobicContact CG-CG2 4.13Å; K531-V578 HydrophobicContact CB-CG2 4.07Å; K531-V578 HydrophobicContact CD-CG2 4.32Å; L532-V578 HydrophobicContact CB-CG1 4Å; L532-V578 HydrophobicContact CD1-CG1 4.24Å; C574-V578 HydrophobicContact CB-CB 4.2Å; C574-V578 HydrophobicContact CB-CG1 3.9Å; S575-V578 PolarHBondContact O-N 3.19Å; S575-V578 VanDerWaalsContact O-N 3.16Å; S575-V578 WeakPolarHBondContact OG-CG2 3.13Å; S575-V578 PolarHBondContact OG-N 2.88Å; V578-T581 WeakPolarHBondContact O-CB 3.33Å; V578-T581 PolarHBondContact O-N 2.88Å; V578-A582 WeakPolarHBondContact O-CB 3.33Å; V578-A582 PolarHBondContact O-N 2.98Å |
| 579 | R | 88.5 | Confident | 87 | Confident | 89 Ų | 89 | 47.2 Ų | 47.2 | 34% | 0.336 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -33.5 | 174.9 | -159.4 | -174 | -54.8 | 113 | -2.3 | 113.1 | I570 G571 C574 S575 V577 R583 | I570-R579 HydrophobicContact CG2-CG 4.38Å; G571-R579 PolarHBondContact O-NE 2.96Å; G571-R579 VanDerWaalsContact O-NE 3.17Å; G571-R579 PolarHBondContact O-NH2 3.22Å; C574-R579 PolarHBondContact O-NH2 3.34Å; S575-R579 PolarHBondContact O-N 3.39Å; V577-R579 PolarHBondContact O-N 3.19Å; R579-R583 PolarHBondContact O-N 3.49Å; R579-R583 VanDerWaalsContact O-N 3.13Å |
| 580 | S | 87.9 | Confident | 87.2 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 40% | 0.399 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67 | -50.3 | 171.3 | -153.5 | 0 | 0 | 0 | 0 | 110.3 | A576 V577 A582 R583 E584 | A576-S580 PolarHBondContact O-N 2.97Å; A576-S580 VanDerWaalsContact O-N 3.14Å; V577-S580 WeakPolarHBondContact O-CA 3.38Å; V577-S580 WeakPolarHBondContact O-CB 3.38Å; V577-S580 PolarHBondContact O-N 3.04Å; S580-A582 VanDerWaalsContact C-N 3.29Å; S580-A582 PolarHBondContact O-N 2.62Å; S580-R583 PolarHBondContact O-N 3.47Å; S580-R583 VanDerWaalsContact O-N 3.11Å; S580-E584 WeakPolarHBondContact CB-OE1 3.49Å; S580-E584 WeakPolarHBondContact O-CB 3.43Å; S580-E584 VanDerWaalsContact O-CG 3.28Å; S580-E584 WeakPolarHBondContact O-CG 3.47Å; S580-E584 PolarHBondContact O-N 3.28Å; S580-E584 PolarHBondContact OG-OE1 3.17Å |
| 581 | T | 88.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.9 | -44.4 | 174.2 | -61 | 0 | 0 | 0 | 0 | 112.5 | W519 V525 E528 L529 V577 V578 L585 | W519-T581 HydrophobicContact CH2-CG2 4.11Å; W519-T581 HydrophobicContact CZ3-CG2 4.35Å; V525-T581 HydrophobicContact CG1-CG2 3.47Å; V525-T581 VanDerWaalsContact CG1-CG2 3.47Å; E528-T581 HydrophobicContact CB-CG2 4.1Å; L529-T581 HydrophobicContact CD2-CG2 3.76Å; L529-T581 HydrophobicContact CG-CG2 4.1Å; V577-T581 PolarHBondContact O-N 2.86Å; V577-T581 PolarHBondContact O-OG1 3.3Å; V578-T581 WeakPolarHBondContact O-CB 3.33Å; V578-T581 PolarHBondContact O-N 2.88Å; T581-L585 VanDerWaalsContact O-CB 3.25Å; T581-L585 WeakPolarHBondContact O-CB 3.49Å; T581-L585 PolarHBondContact O-N 3.15Å |
| 582 | A | 90.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L532 L567 I570 V578 S580 L585 L586 | L532-A582 HydrophobicContact CD1-CB 3.78Å; L532-A582 HydrophobicContact CD2-CB 3.86Å; L532-A582 HydrophobicContact CG-CB 4.5Å; L567-A582 HydrophobicContact CD2-CB 4.35Å; I570-A582 HydrophobicContact CD1-CB 4.05Å; I570-A582 HydrophobicContact CG2-CB 4.08Å; V578-A582 WeakPolarHBondContact O-CB 3.33Å; V578-A582 PolarHBondContact O-N 2.98Å; S580-A582 VanDerWaalsContact C-N 3.29Å; S580-A582 PolarHBondContact O-N 2.62Å; A582-L585 PolarHBondContact O-N 3.17Å; A582-L586 WeakPolarHBondContact O-CB 3.43Å; A582-L586 VanDerWaalsContact O-CG 3.3Å; A582-L586 WeakPolarHBondContact O-CG 3.41Å; A582-L586 PolarHBondContact O-N 3.48Å |
| 583 | R | 90.4 | Very high | 88.8 | Confident | 118 Ų | 118 | 38.4 Ų | 38.4 | 45% | 0.445 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.7 | -176.9 | 176.9 | -66.5 | -80.2 | -0.4 | 111.8 | L567 R579 S580 L585 L586 E587 | L567-R583 HydrophobicContact CD1-CG 4.49Å; L567-R583 HydrophobicContact CD2-CB 4.15Å; R579-R583 PolarHBondContact O-N 3.49Å; R579-R583 VanDerWaalsContact O-N 3.13Å; S580-R583 PolarHBondContact O-N 3.47Å; S580-R583 VanDerWaalsContact O-N 3.11Å; R583-L585 VanDerWaalsContact C-N 3.34Å; R583-L585 PolarHBondContact O-N 2.96Å; R583-L586 PolarHBondContact O-N 3.03Å; R583-E587 WeakPolarHBondContact O-CB 3.42Å; R583-E587 WeakPolarHBondContact O-CG 3.23Å; R583-E587 PolarHBondContact O-N 3.17Å |
| 584 | E | 87.6 | Confident | 89.6 | Confident | 72 Ų | 72 | 35 Ų | 35 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -69.7 | -30.4 | -178.6 | -63.3 | 161.6 | -135.9 | 0 | 0 | 112.7 | W519 S580 W588 | W519-E584 HydrophobicContact CH2-CB 4.38Å; W519-E584 HydrophobicContact CZ2-CB 3.54Å; W519-E584 PolarHBondContact NE1-O 3.03Å; S580-E584 WeakPolarHBondContact CB-OE1 3.49Å; S580-E584 WeakPolarHBondContact O-CB 3.43Å; S580-E584 VanDerWaalsContact O-CG 3.28Å; S580-E584 WeakPolarHBondContact O-CG 3.47Å; S580-E584 PolarHBondContact O-N 3.28Å; S580-E584 PolarHBondContact OG-OE1 3.17Å; E584-W588 PolarHBondContact O-N 3.06Å |
| 585 | L | 90.9 | Very high | 90 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71 | -46 | 170.8 | 177.4 | 64.9 | 0 | 0 | 0 | 111.3 | L515 W519 L529 L532 F533 T581 A582 R583 W588 V589 | L515-L585 HydrophobicContact CD1-CD1 4.24Å; L515-L585 HydrophobicContact CD2-CD1 4.37Å; L515-L585 HydrophobicContact CG-CD1 4.49Å; W519-L585 HydrophobicContact CD2-CD1 4.11Å; W519-L585 HydrophobicContact CE3-CD1 4.01Å; W519-L585 HydrophobicContact CG-CD1 4.42Å; W519-L585 HydrophobicContact CH2-CB 4.48Å; W519-L585 HydrophobicContact CZ3-CB 4.48Å; L529-L585 HydrophobicContact CD2-CD2 3.92Å; L532-L585 HydrophobicContact CD2-CD2 4.24Å; F533-L585 HydrophobicContact CE2-CD2 4.45Å; F533-L585 HydrophobicContact CZ-CD2 4.12Å; T581-L585 VanDerWaalsContact O-CB 3.25Å; T581-L585 WeakPolarHBondContact O-CB 3.49Å; T581-L585 PolarHBondContact O-N 3.15Å; A582-L585 PolarHBondContact O-N 3.17Å; R583-L585 VanDerWaalsContact C-N 3.34Å; R583-L585 PolarHBondContact O-N 2.96Å; L585-W588 WeakPolarHBondContact O-CA 3.29Å; L585-W588 WeakPolarHBondContact O-CB 3.43Å; L585-W588 PolarHBondContact O-N 2.97Å; L585-V589 HydrophobicContact CD1-CG1 3.98Å; L585-V589 PolarHBondContact O-N 2.92Å |
| 586 | L | 91.9 | Very high | 90.1 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.2 | -73.9 | 170 | 0 | 0 | 0 | 111.9 | L546 I549 L566 L567 A582 R583 W588 V589 A590 | L546-L586 HydrophobicContact CD1-CD2 4.08Å; I549-L586 HydrophobicContact CD1-CD2 4.31Å; L566-L586 HydrophobicContact CD2-CD1 3.96Å; L566-L586 HydrophobicContact CD2-CD2 3.96Å; L566-L586 HydrophobicContact CG-CD1 4.32Å; L567-L586 HydrophobicContact CD1-CD1 4.39Å; L567-L586 HydrophobicContact CD2-CD1 3.86Å; L567-L586 HydrophobicContact CG-CD1 3.84Å; A582-L586 WeakPolarHBondContact O-CB 3.43Å; A582-L586 VanDerWaalsContact O-CG 3.3Å; A582-L586 WeakPolarHBondContact O-CG 3.41Å; A582-L586 PolarHBondContact O-N 3.48Å; R583-L586 PolarHBondContact O-N 3.03Å; L586-W588 PolarHBondContact O-N 3.23Å; L586-V589 HydrophobicContact CD2-CG2 4.38Å; L586-V589 PolarHBondContact O-N 3.06Å; L586-A590 WeakPolarHBondContact O-CB 3.45Å; L586-A590 PolarHBondContact O-N 3.41Å |
| 587 | E | 88.5 | Confident | 90.3 | Very high | 72 Ų | 72 | 32.9 Ų | 32.9 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.6 | -31.7 | 170.1 | -79.7 | -173.5 | -164.9 | 0 | 0 | 112.2 | H439 K440 R583 | H439-E587 PolarHBondContact CE1-O 2.86Å; K440-E587 IonicContact NZ-OE1 2.67Å; K440-E587 PolarHBondContact NZ-OE1 2.94Å; K440-E587 IonicContact NZ-OE2 3.1Å; K440-E587 PolarHBondContact NZ-OE2 2.74Å; R583-E587 WeakPolarHBondContact O-CB 3.42Å; R583-E587 WeakPolarHBondContact O-CG 3.23Å; R583-E587 PolarHBondContact O-N 3.17Å |
| 588 | W | 90.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 4% | 0.038 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -83.8 | -48.4 | 177.5 | -175.3 | -95.5 | 0 | 0 | 0 | 113.8 | H439 I478 G481 Q482 W519 E584 L585 L586 | H439-W588 HydrophobicContact CB-CE3 4.21Å; H439-W588 HydrophobicContact CB-CZ3 3.81Å; H439-W588 AromaticContact CD2-CE3 3.49Å; H439-W588 VanDerWaalsContact CD2-CE3 3.49Å; H439-W588 AromaticContact CD2-CZ3 3.42Å; H439-W588 VanDerWaalsContact CD2-CZ3 3.42Å; H439-W588 WeakPolarHBondContact CD2-CZ3 3.48Å; H439-W588 AromaticContact CG-CE3 3.71Å; H439-W588 AromaticContact CG-CZ3 3.68Å; H439-W588 AromaticContact NE2-CE3 3.83Å; I478-W588 HydrophobicContact CG1-CH2 4.27Å; I478-W588 HydrophobicContact CG2-CH2 4.35Å; G481-W588 PolarHBondContact O-NE1 2.83Å; Q482-W588 HydrophobicContact CG-CD2 4.25Å; Q482-W588 HydrophobicContact CG-CZ2 4.14Å; Q482-W588 WeakPolarHBondContact CG-O 3.43Å; Q482-W588 PolarHBondContact NE2-O 3.28Å; W519-W588 HydrophobicContact CB-CG 4.25Å; W519-W588 VanDerWaalsContact CD1-CB 3.41Å; W519-W588 AromaticContact CD1-CD2 3.88Å; W519-W588 AromaticContact CD1-CG 3.49Å; W519-W588 VanDerWaalsContact CD1-CG 3.49Å; W519-W588 HydrophobicContact CG-CB 4.24Å; W519-W588 HydrophobicContact CG-CG 4.13Å; E584-W588 PolarHBondContact O-N 3.06Å; L585-W588 WeakPolarHBondContact O-CA 3.29Å; L585-W588 WeakPolarHBondContact O-CB 3.43Å; L585-W588 PolarHBondContact O-N 2.97Å; L586-W588 PolarHBondContact O-N 3.23Å |
| 589 | V | 92.6 | Very high | 91 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -83 | -29.2 | -170.6 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | A485 R486 V489 L550 L585 L586 | A485-V589 HydrophobicContact CB-CG1 4.02Å; R486-V589 HydrophobicContact CG-CB 4.13Å; R486-V589 PolarHBondContact NH1-O 2.91Å; V489-V589 HydrophobicContact CG2-CG1 4.41Å; L550-V589 HydrophobicContact CD2-CB 4.09Å; L550-V589 HydrophobicContact CD2-CG2 4.03Å; L585-V589 HydrophobicContact CD1-CG1 3.98Å; L585-V589 PolarHBondContact O-N 2.92Å; L586-V589 HydrophobicContact CD2-CG2 4.38Å; L586-V589 PolarHBondContact O-N 3.06Å |
| 590 | A | 92.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -68.4 | 138 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | I549 V559 V563 L586 V592 | I549-A590 HydrophobicContact CG2-CB 3.76Å; V559-A590 HydrophobicContact CG1-CB 4.01Å; V563-A590 HydrophobicContact CG2-CB 4.18Å; L586-A590 WeakPolarHBondContact O-CB 3.45Å; L586-A590 PolarHBondContact O-N 3.41Å; A590-V592 HydrophobicContact CB-CG1 4.08Å; A590-V592 PolarHBondContact O-N 3.47Å |
| 591 | P | 91.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | trans | -79.2 | 62 | -177.3 | 32.7 | -35.5 | 0 | 0 | 0 | 112.8 | I549 L552 V559 L593 I594 F639 | I549-P591 WeakPolarHBondContact O-CD 3.44Å; L552-P591 HydrophobicContact CD2-CB 3.7Å; L552-P591 HydrophobicContact CD2-CG 3.88Å; V559-P591 HydrophobicContact CG1-CG 4.44Å; V559-P591 HydrophobicContact CG2-CG 3.84Å; P591-L593 VanDerWaalsContact C-N 3.34Å; P591-L593 PolarHBondContact O-N 3.35Å; P591-I594 WeakPolarHBondContact CB-O 3.37Å; P591-F639 HydrophobicContact CB-CD1 4.42Å; P591-F639 HydrophobicContact CB-CE1 4.12Å | ||
| 592 | V | 90.3 | Very high | 91.8 | Very high | 18 Ų | 18 | 24.8 Ų | 24.8 | 11% | 0.109 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -79.2 | -9.2 | -175.6 | -59.2 | 0 | 0 | 0 | 0 | 115.2 | N443 H449 V559 A590 | N443-V592 WeakPolarHBondContact ND2-CG2 3.46Å; H449-V592 HydrophobicContact CB-CB 4.23Å; H449-V592 HydrophobicContact CB-CG2 4.29Å; H449-V592 WeakPolarHBondContact CB-O 3.2Å; V559-V592 HydrophobicContact CG1-CG1 4.34Å; A590-V592 HydrophobicContact CB-CG1 4.08Å; A590-V592 PolarHBondContact O-N 3.47Å |
| 593 | L | 90.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -107.5 | -36 | 175.6 | -71.2 | -171.7 | 0 | 0 | 0 | 113.3 | L442 N443 V447 H449 R456 P591 T598 | L442-L593 HydrophobicContact CG-CD1 4.34Å; N443-L593 WeakPolarHBondContact OD1-CD1 3.43Å; V447-L593 HydrophobicContact CB-CD2 4.29Å; V447-L593 HydrophobicContact CG1-CD2 3.94Å; H449-L593 HydrophobicContact CB-CD2 4.07Å; R456-L593 PolarHBondContact NE-O 3.12Å; P591-L593 VanDerWaalsContact C-N 3.34Å; P591-L593 PolarHBondContact O-N 3.35Å; L593-T598 PolarHBondContact O-OG1 2.69Å |
| 594 | I | 93.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | trans | -121.1 | 113.4 | -168.9 | -49.2 | -62.5 | 0 | 0 | 0 | 108.5 | L460 P591 T598 I599 L635 F639 | L460-I594 HydrophobicContact CD2-CD1 3.4Å; P591-I594 WeakPolarHBondContact CB-O 3.37Å; I594-T598 HydrophobicContact CD1-CG2 4.25Å; I594-I599 HydrophobicContact CG2-CD1 3.57Å; I594-I599 HydrophobicContact CG2-CG1 3.88Å; I594-L635 HydrophobicContact CD1-CD1 4.28Å; I594-L635 HydrophobicContact CD1-CD2 3.94Å; I594-L635 HydrophobicContact CG1-CD2 3.99Å; I594-F639 HydrophobicContact CB-CD1 3.82Å; I594-F639 HydrophobicContact CB-CD2 4.22Å; I594-F639 HydrophobicContact CB-CE1 3.92Å; I594-F639 HydrophobicContact CB-CE2 4.33Å; I594-F639 HydrophobicContact CB-CG 3.98Å; I594-F639 HydrophobicContact CB-CZ 4.19Å; I594-F639 HydrophobicContact CG1-CD1 4.39Å; I594-F639 HydrophobicContact CG1-CD2 4.06Å; I594-F639 HydrophobicContact CG1-CE1 4.18Å; I594-F639 HydrophobicContact CG1-CE2 3.85Å; I594-F639 HydrophobicContact CG1-CG 4.34Å; I594-F639 HydrophobicContact CG1-CZ 3.91Å; I594-F639 HydrophobicContact CG2-CB 3.93Å; I594-F639 HydrophobicContact CG2-CD1 4.03Å; I594-F639 HydrophobicContact CG2-CD2 4.17Å; I594-F639 HydrophobicContact CG2-CG 3.79Å | ||
| 595 | D | 91.8 | Very high | 92 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | trans | -126.4 | 178.3 | 167.6 | 54.1 | 26.8 | 0 | 0 | 0 | 109.6 | R456 L555 K556 E597 T598 I599 | R456-D595 IonicContact CZ-OD2 2.74Å; R456-D595 VanDerWaalsContact NH2-CG 3.27Å; R456-D595 IonicContact NH2-OD1 2.81Å; R456-D595 PolarHBondContact NH2-OD1 3.49Å; R456-D595 IonicContact NH2-OD2 2.72Å; R456-D595 PolarHBondContact NH2-OD2 3.01Å; L555-D595 HydrophobicContact CD2-CB 4.22Å; K556-D595 WeakPolarHBondContact CB-OD2 3.42Å; K556-D595 PolarHBondContact N-OD2 3.08Å; D595-E597 VanDerWaalsContact C-N 3.34Å; D595-E597 PolarHBondContact O-N 3.22Å; D595-T598 PolarHBondContact N-OG1 2.89Å; D595-T598 WeakPolarHBondContact O-CB 3.2Å; D595-T598 PolarHBondContact O-N 3.04Å; D595-T598 WeakPolarHBondContact OD1-CB 3.46Å; D595-T598 PolarHBondContact OD1-N 2.89Å; D595-T598 PolarHBondContact OD1-OG1 2.85Å; D595-I599 PolarHBondContact O-N 2.89Å; D595-I599 VanDerWaalsContact O-N 3.1Å | ||
| 596 | R | 89.5 | Confident | 92 | Very high | 38 Ų | 38 | 22 Ų | 22 | 14% | 0.143 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.5 | -43.3 | -177.3 | 62.1 | -165.5 | -169.9 | -114.2 | -1.1 | 113.4 | E553 L555 E558 I599 D600 A642 L645 I690 | E553-R596 PolarHBondContact O-NH1 2.93Å; L555-R596 VanDerWaalsContact CD1-NH2 3.35Å; L555-R596 HydrophobicContact CD2-CG 3.77Å; E558-R596 IonicContact OE2-NH1 2.83Å; E558-R596 PolarHBondContact OE2-NH1 2.7Å; R596-I599 PolarHBondContact O-N 3.24Å; R596-D600 PolarHBondContact O-N 2.89Å; R596-A642 WeakPolarHBondContact CA-O 3.43Å; R596-L645 HydrophobicContact CB-CD1 4.2Å; R596-L645 HydrophobicContact CB-CG 4.27Å; R596-L645 HydrophobicContact CG-CD1 4.44Å; R596-L645 WeakPolarHBondContact O-CD1 3.34Å; R596-I690 VanDerWaalsContact NH2-CG2 3.31Å |
| 597 | E | 92.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 23.7 Ų | 23.7 | 34% | 0.341 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 173.3 | -74.2 | 172.1 | -163.4 | 0 | 0 | 112.7 | T453 L555 D595 I599 D600 F601 | T453-E597 HydrophobicContact CG2-CB 3.58Å; T453-E597 PolarHBondContact OG1-OE2 3.22Å; T453-E597 VanDerWaalsContact OG1-OE2 3.06Å; L555-E597 HydrophobicContact CD2-CB 4.27Å; L555-E597 HydrophobicContact CD2-CG 3.77Å; D595-E597 VanDerWaalsContact C-N 3.34Å; D595-E597 PolarHBondContact O-N 3.22Å; E597-I599 VanDerWaalsContact C-N 3.27Å; E597-I599 PolarHBondContact O-N 2.9Å; E597-D600 PolarHBondContact O-N 3.49Å; E597-D600 VanDerWaalsContact O-N 3.16Å; E597-F601 VanDerWaalsContact O-CD2 3.25Å; E597-F601 WeakPolarHBondContact O-CD2 3.35Å; E597-F601 PolarHBondContact O-N 3.04Å |
| 598 | T | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 178.5 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | T453 R456 A457 L593 I594 D595 L602 | T453-T598 WeakPolarHBondContact CG2-OG1 3.29Å; R456-T598 PolarHBondContact NH2-OG1 2.79Å; A457-T598 HydrophobicContact CB-CG2 4.01Å; L593-T598 PolarHBondContact O-OG1 2.69Å; I594-T598 HydrophobicContact CD1-CG2 4.25Å; D595-T598 PolarHBondContact N-OG1 2.89Å; D595-T598 WeakPolarHBondContact O-CB 3.2Å; D595-T598 PolarHBondContact O-N 3.04Å; D595-T598 WeakPolarHBondContact OD1-CB 3.46Å; D595-T598 PolarHBondContact OD1-N 2.89Å; D595-T598 PolarHBondContact OD1-OG1 2.85Å; T598-L602 HydrophobicContact CG2-CD1 4.13Å; T598-L602 HydrophobicContact CG2-CG 4.46Å; T598-L602 WeakPolarHBondContact O-CB 3.44Å; T598-L602 WeakPolarHBondContact O-CG 3.35Å; T598-L602 PolarHBondContact O-N 3.31Å; T598-L602 VanDerWaalsContact O-N 3.08Å |
| 599 | I | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.1 | -67.1 | -57.8 | 0 | 0 | 0 | 111.3 | I594 D595 R596 E597 F601 L602 V603 L635 A642 F643 T648 | I594-I599 HydrophobicContact CG2-CD1 3.57Å; I594-I599 HydrophobicContact CG2-CG1 3.88Å; D595-I599 PolarHBondContact O-N 2.89Å; D595-I599 VanDerWaalsContact O-N 3.1Å; R596-I599 PolarHBondContact O-N 3.24Å; E597-I599 VanDerWaalsContact C-N 3.27Å; E597-I599 PolarHBondContact O-N 2.9Å; I599-F601 PolarHBondContact O-N 3.43Å; I599-L602 PolarHBondContact O-N 2.83Å; I599-L602 VanDerWaalsContact O-N 3.14Å; I599-V603 HydrophobicContact CG2-CG2 4.3Å; I599-V603 WeakPolarHBondContact O-CG2 3.43Å; I599-V603 PolarHBondContact O-N 2.99Å; I599-L635 HydrophobicContact CD1-CB 4.15Å; I599-L635 HydrophobicContact CD1-CD1 3.94Å; I599-A642 HydrophobicContact CG1-CB 3.64Å; I599-F643 HydrophobicContact CD1-CD2 4.47Å; I599-F643 HydrophobicContact CD1-CE2 3.75Å; I599-F643 HydrophobicContact CD1-CZ 3.92Å; I599-F643 HydrophobicContact CG1-CD2 4.32Å; I599-F643 HydrophobicContact CG1-CE2 4.09Å; I599-F643 HydrophobicContact CG1-CZ 4.47Å; I599-F643 HydrophobicContact CG2-CD1 3.62Å; I599-F643 HydrophobicContact CG2-CD2 4.04Å; I599-F643 HydrophobicContact CG2-CE1 3.62Å; I599-F643 HydrophobicContact CG2-CE2 4.03Å; I599-F643 HydrophobicContact CG2-CG 3.83Å; I599-F643 HydrophobicContact CG2-CZ 3.83Å; I599-T648 HydrophobicContact CG2-CG2 3.67Å |
| 600 | D | 92.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 8% | 0.08 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | -179.8 | -151.8 | 64.8 | 0 | 0 | 0 | 112 | R596 E597 L602 V603 Q604 L645 N647 T648 | R596-D600 PolarHBondContact O-N 2.89Å; E597-D600 PolarHBondContact O-N 3.49Å; E597-D600 VanDerWaalsContact O-N 3.16Å; D600-L602 VanDerWaalsContact C-N 3.3Å; D600-L602 PolarHBondContact O-N 2.95Å; D600-V603 PolarHBondContact O-N 2.73Å; D600-Q604 WeakPolarHBondContact O-CG 3.36Å; D600-Q604 PolarHBondContact O-N 2.69Å; D600-Q604 PolarHBondContact OD2-NE2 3.2Å; D600-L645 HydrophobicContact CB-CD1 4.06Å; D600-N647 WeakPolarHBondContact OD1-CB 3.16Å; D600-N647 WeakPolarHBondContact OD2-CB 3.37Å; D600-T648 WeakPolarHBondContact CA-OG1 3.2Å; D600-T648 WeakPolarHBondContact OD1-CA 3.41Å; D600-T648 WeakPolarHBondContact OD1-CB 3.41Å; D600-T648 PolarHBondContact OD1-N 3.12Å; D600-T648 PolarHBondContact OD1-OG1 3.17Å |
| 601 | F | 94.5 | Very high | 89.5 | Confident | 62 Ų | 62 | 31.7 Ų | 31.7 | 27% | 0.272 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 174.3 | -74.5 | -67.1 | 0 | 0 | 0 | 112.4 | T453 E454 A457 E597 I599 M605 | T453-F601 HydrophobicContact CG2-CD2 4.19Å; T453-F601 HydrophobicContact CG2-CE2 4.34Å; E454-F601 HydrophobicContact CB-CD1 4.3Å; E454-F601 HydrophobicContact CB-CD2 4.41Å; E454-F601 HydrophobicContact CB-CE1 3.99Å; E454-F601 HydrophobicContact CB-CE2 4.11Å; E454-F601 HydrophobicContact CB-CZ 3.89Å; E454-F601 HydrophobicContact CG-CD1 4.02Å; E454-F601 HydrophobicContact CG-CE1 3.85Å; E454-F601 HydrophobicContact CG-CZ 4.27Å; A457-F601 HydrophobicContact CB-CB 3.65Å; E597-F601 VanDerWaalsContact O-CD2 3.25Å; E597-F601 WeakPolarHBondContact O-CD2 3.35Å; E597-F601 PolarHBondContact O-N 3.04Å; I599-F601 PolarHBondContact O-N 3.43Å; F601-M605 WeakPolarHBondContact O-CB 3.24Å; F601-M605 VanDerWaalsContact O-CG 3.28Å; F601-M605 WeakPolarHBondContact O-CG 3.18Å; F601-M605 PolarHBondContact O-N 3.35Å |
| 602 | L | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.7 | -72.5 | 176.9 | 0 | 0 | 0 | 112.4 | A457 L460 T598 I599 D600 M605 V606 M631 L632 L635 | A457-L602 HydrophobicContact CB-CD2 4.12Å; A457-L602 HydrophobicContact CB-CG 4.12Å; A457-L602 VanDerWaalsContact O-CD2 3.3Å; A457-L602 WeakPolarHBondContact O-CD2 3.39Å; L460-L602 HydrophobicContact CD2-CD1 4.19Å; T598-L602 HydrophobicContact CG2-CD1 4.13Å; T598-L602 HydrophobicContact CG2-CG 4.46Å; T598-L602 WeakPolarHBondContact O-CB 3.44Å; T598-L602 WeakPolarHBondContact O-CG 3.35Å; T598-L602 PolarHBondContact O-N 3.31Å; T598-L602 VanDerWaalsContact O-N 3.08Å; I599-L602 PolarHBondContact O-N 2.83Å; I599-L602 VanDerWaalsContact O-N 3.14Å; D600-L602 VanDerWaalsContact C-N 3.3Å; D600-L602 PolarHBondContact O-N 2.95Å; L602-M605 PolarHBondContact O-N 3.33Å; L602-V606 WeakPolarHBondContact O-CG2 3.37Å; L602-V606 PolarHBondContact O-N 2.91Å; L602-M631 HydrophobicContact CD1-CE 4.35Å; L602-M631 HydrophobicContact CD2-CE 3.76Å; L602-M631 HydrophobicContact CG-CE 4.49Å; L602-L632 HydrophobicContact CB-CD2 4.01Å; L602-L635 HydrophobicContact CD1-CD1 3.72Å |
| 603 | V | 93.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -49.2 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | I599 D600 M605 V606 E607 L632 T648 V652 I655 | I599-V603 HydrophobicContact CG2-CG2 4.3Å; I599-V603 WeakPolarHBondContact O-CG2 3.43Å; I599-V603 PolarHBondContact O-N 2.99Å; D600-V603 PolarHBondContact O-N 2.73Å; V603-M605 VanDerWaalsContact C-N 3.26Å; V603-M605 PolarHBondContact O-N 2.93Å; V603-V606 PolarHBondContact O-N 3.03Å; V603-E607 WeakPolarHBondContact O-CB 3.41Å; V603-E607 PolarHBondContact O-N 2.7Å; V603-L632 HydrophobicContact CG2-CD1 3.96Å; V603-L632 HydrophobicContact CG2-CD2 3.98Å; V603-T648 HydrophobicContact CG2-CG2 4.16Å; V603-V652 HydrophobicContact CG1-CG2 4.25Å; V603-V652 HydrophobicContact CG2-CG2 4.12Å; V603-I655 HydrophobicContact CG1-CD1 4.13Å |
| 604 | Q | 91.1 | Very high | 86 | Confident | 89 Ų | 89 | 39 Ų | 39 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.7 | -38.9 | 176.2 | -65.7 | 172.9 | 31.4 | 0 | 0 | 112.3 | D600 K608 | D600-Q604 WeakPolarHBondContact O-CG 3.36Å; D600-Q604 PolarHBondContact O-N 2.69Å; D600-Q604 PolarHBondContact OD2-NE2 3.2Å; Q604-K608 WeakPolarHBondContact O-CB 3.46Å; Q604-K608 PolarHBondContact O-N 3.48Å; Q604-K608 VanDerWaalsContact O-N 3.14Å |
| 605 | M | 90.1 | Very high | 84.3 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.9 | -37.1 | 175.5 | -75.4 | -174.7 | 75.1 | 0 | 0 | 113.2 | K458 Y461 F601 L602 V603 G609 | K458-M605 HydrophobicContact CB-CE 4.21Å; K458-M605 HydrophobicContact CB-SD 4.11Å; K458-M605 HydrophobicContact CG-CE 3.99Å; Y461-M605 HydrophobicContact CD1-CE 3.44Å; Y461-M605 VanDerWaalsContact CD1-CE 3.44Å; Y461-M605 HydrophobicContact CD2-CB 3.86Å; Y461-M605 HydrophobicContact CD2-CE 4.2Å; Y461-M605 HydrophobicContact CE1-CE 4.07Å; Y461-M605 HydrophobicContact CE2-CB 4Å; Y461-M605 HydrophobicContact CG-CB 4.37Å; Y461-M605 HydrophobicContact CG-CE 3.54Å; Y461-M605 HydrophobicContact CG-SD 4.25Å; F601-M605 WeakPolarHBondContact O-CB 3.24Å; F601-M605 VanDerWaalsContact O-CG 3.28Å; F601-M605 WeakPolarHBondContact O-CG 3.18Å; F601-M605 PolarHBondContact O-N 3.35Å; L602-M605 PolarHBondContact O-N 3.33Å; V603-M605 VanDerWaalsContact C-N 3.26Å; V603-M605 PolarHBondContact O-N 2.93Å; M605-G609 PolarHBondContact O-N 2.87Å |
| 606 | V | 90.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.5 | -45.7 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | Y461 L602 V603 G609 L610 L629 L632 I655 | Y461-V606 HydrophobicContact CD2-CG2 4.22Å; Y461-V606 HydrophobicContact CE2-CG2 3.92Å; L602-V606 WeakPolarHBondContact O-CG2 3.37Å; L602-V606 PolarHBondContact O-N 2.91Å; V603-V606 PolarHBondContact O-N 3.03Å; V606-G609 PolarHBondContact O-N 3.46Å; V606-L610 HydrophobicContact CG1-CD1 3.84Å; V606-L610 HydrophobicContact CG1-CG 4.43Å; V606-L610 WeakPolarHBondContact O-CB 3.24Å; V606-L610 WeakPolarHBondContact O-CG 3.27Å; V606-L610 PolarHBondContact O-N 3.4Å; V606-L629 HydrophobicContact CG1-CB 4.41Å; V606-L632 HydrophobicContact CB-CD1 3.85Å; V606-L632 HydrophobicContact CG1-CD1 3.88Å; V606-L632 HydrophobicContact CG2-CD1 3.76Å; V606-L632 HydrophobicContact CG2-CG 4.02Å; V606-I655 HydrophobicContact CB-CD1 4.3Å; V606-I655 HydrophobicContact CG1-CD1 3.94Å |
| 607 | E | 87.1 | Confident | 80.6 | Confident | 45 Ų | 45 | 49 Ų | 49 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.6 | -56.2 | 173.7 | -178.8 | -179 | -179.8 | 0 | 0 | 110.4 | V603 G609 L610 M611 T654 I655 | V603-E607 WeakPolarHBondContact O-CB 3.41Å; V603-E607 PolarHBondContact O-N 2.7Å; E607-G609 PolarHBondContact O-N 2.89Å; E607-L610 PolarHBondContact O-N 3.44Å; E607-M611 WeakPolarHBondContact O-CG 3.19Å; E607-M611 PolarHBondContact O-N 3.15Å; E607-M611 VanDerWaalsContact O-N 3.07Å; E607-T654 HydrophobicContact CG-CG2 4.3Å; E607-T654 WeakPolarHBondContact OE1-CB 3.09Å; E607-T654 WeakPolarHBondContact OE1-CG2 3.37Å; E607-T654 PolarHBondContact OE1-OG1 3.27Å; E607-I655 HydrophobicContact CB-CD1 4.19Å; E607-I655 HydrophobicContact CB-CG1 4.02Å; E607-I655 HydrophobicContact CG-CG1 4.48Å |
| 608 | K | 84.4 | Confident | 78.9 | Confident | 126 Ų | 126 | 51.9 Ų | 51.9 | 55% | 0.548 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 176.5 | -179.3 | 175.2 | 172.4 | 179 | 0 | 112.8 | Q604 L610 M611 E612 | Q604-K608 WeakPolarHBondContact O-CB 3.46Å; Q604-K608 PolarHBondContact O-N 3.48Å; Q604-K608 VanDerWaalsContact O-N 3.14Å; K608-L610 VanDerWaalsContact C-N 3.32Å; K608-L610 PolarHBondContact O-N 3.19Å; K608-M611 PolarHBondContact O-N 3.01Å; K608-E612 WeakPolarHBondContact CE-OE1 3.33Å; K608-E612 HydrophobicContact CG-CG 4.47Å; K608-E612 IonicContact NZ-OE1 3.56Å; K608-E612 WeakPolarHBondContact O-CG 3.04Å; K608-E612 PolarHBondContact O-N 3.32Å |
| 609 | G | 81.1 | Confident | 77 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -31.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M605 V606 E607 S613 S625 | M605-G609 PolarHBondContact O-N 2.87Å; V606-G609 PolarHBondContact O-N 3.46Å; E607-G609 PolarHBondContact O-N 2.89Å; G609-S613 VanDerWaalsContact O-CB 3.27Å; G609-S613 WeakPolarHBondContact O-CB 3.43Å; G609-S613 PolarHBondContact O-N 3.45Å; G609-S613 PolarHBondContact O-OG 3.31Å; G609-S625 PolarHBondContact O-OG 2.7Å |
| 610 | L | 78.1 | Confident | 75.1 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -51.7 | 172.4 | -75.1 | 162.8 | 0 | 0 | 0 | 110.3 | V606 E607 K608 E612 S613 A614 I655 L660 | V606-L610 HydrophobicContact CG1-CD1 3.84Å; V606-L610 HydrophobicContact CG1-CG 4.43Å; V606-L610 WeakPolarHBondContact O-CB 3.24Å; V606-L610 WeakPolarHBondContact O-CG 3.27Å; V606-L610 PolarHBondContact O-N 3.4Å; E607-L610 PolarHBondContact O-N 3.44Å; K608-L610 VanDerWaalsContact C-N 3.32Å; K608-L610 PolarHBondContact O-N 3.19Å; L610-E612 PolarHBondContact O-N 3.25Å; L610-S613 PolarHBondContact O-N 3.01Å; L610-S613 PolarHBondContact O-OG 2.91Å; L610-A614 PolarHBondContact O-N 2.88Å; L610-I655 HydrophobicContact CD1-CG1 4.11Å; L610-I655 HydrophobicContact CD1-CG2 3.91Å; L610-L660 HydrophobicContact CD1-CD2 4.35Å; L610-L660 HydrophobicContact CD2-CD2 4.01Å |
| 611 | M | 74.1 | Confident | 73.7 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 53% | 0.527 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 177.8 | -64.2 | -166.6 | 109 | 0 | 0 | 112.8 | E607 K608 S613 A614 S615 | E607-M611 WeakPolarHBondContact O-CG 3.19Å; E607-M611 PolarHBondContact O-N 3.15Å; E607-M611 VanDerWaalsContact O-N 3.07Å; K608-M611 PolarHBondContact O-N 3.01Å; M611-S613 VanDerWaalsContact C-N 3.33Å; M611-S613 PolarHBondContact O-N 3.12Å; M611-A614 PolarHBondContact O-N 3.39Å; M611-S615 PolarHBondContact O-N 2.99Å |
| 612 | E | 72.8 | Confident | 72.2 | Confident | 104 Ų | 104 | 64 Ų | 64 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 176.7 | -73.1 | 179.7 | 177.2 | 0 | 0 | 111.4 | K608 L610 A614 S615 S616 | K608-E612 WeakPolarHBondContact CE-OE1 3.33Å; K608-E612 HydrophobicContact CG-CG 4.47Å; K608-E612 IonicContact NZ-OE1 3.56Å; K608-E612 WeakPolarHBondContact O-CG 3.04Å; K608-E612 PolarHBondContact O-N 3.32Å; L610-E612 PolarHBondContact O-N 3.25Å; E612-A614 VanDerWaalsContact C-N 3.34Å; E612-A614 PolarHBondContact O-N 3.44Å; E612-S615 PolarHBondContact O-N 3.24Å; E612-S615 PolarHBondContact O-OG 2.87Å; E612-S616 PolarHBondContact O-N 2.84Å; E612-S616 VanDerWaalsContact O-N 3.14Å |
| 613 | S | 66.6 | Low | 70.9 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.3 | -21.7 | 179.3 | 80.3 | 0 | 0 | 0 | 0 | 115 | G609 L610 M611 S621 R622 S625 | G609-S613 VanDerWaalsContact O-CB 3.27Å; G609-S613 WeakPolarHBondContact O-CB 3.43Å; G609-S613 PolarHBondContact O-N 3.45Å; G609-S613 PolarHBondContact O-OG 3.31Å; L610-S613 PolarHBondContact O-N 3.01Å; L610-S613 PolarHBondContact O-OG 2.91Å; M611-S613 VanDerWaalsContact C-N 3.33Å; M611-S613 PolarHBondContact O-N 3.12Å; S613-S621 WeakPolarHBondContact CA-OG 3.24Å; S613-S621 WeakPolarHBondContact CB-OG 3.45Å; S613-R622 PolarHBondContact O-NE 3.48Å; S613-R622 VanDerWaalsContact O-NE 3.08Å; S613-S625 WeakPolarHBondContact CB-OG 3.5Å; S613-S625 PolarHBondContact OG-OG 3.08Å |
| 614 | A | 59.5 | Low | 69.9 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 60% | 0.595 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.6 | -38.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L610 M611 E612 | L610-A614 PolarHBondContact O-N 2.88Å; M611-A614 PolarHBondContact O-N 3.39Å; E612-A614 VanDerWaalsContact C-N 3.34Å; E612-A614 PolarHBondContact O-N 3.44Å |
| 615 | S | 57.4 | Low | 69 | Low | 99 Ų | 99 | 68.7 Ų | 68.7 | 69% | 0.692 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -75.2 | -29.4 | 179.9 | 80.1 | 0 | 0 | 0 | 0 | 114.3 | M611 E612 | M611-S615 PolarHBondContact O-N 2.99Å; E612-S615 PolarHBondContact O-N 3.24Å; E612-S615 PolarHBondContact O-OG 2.87Å |
| 616 | S | 51.2 | Low | 68.5 | Low | 34 Ų | 34 | 68.4 Ų | 68.4 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | trans | -95.9 | 129.4 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | E612 Q618 | E612-S616 PolarHBondContact O-N 2.84Å; E612-S616 VanDerWaalsContact O-N 3.14Å; S616-Q618 PolarHBondContact O-N 2.65Å; S616-Q618 PolarHBondContact OG-N 3.13Å | ||
| 617 | P | 52.3 | Low | 68.3 | Low | 121 Ų | 121 | 69.7 Ų | 69.7 | 79% | 0.786 | 38% | 0.382 | S | S | * | . | trans | -78.1 | 2.5 | 176.8 | 32.3 | -35.5 | 0 | 0 | 0 | 114 | A619 | P617-A619 PolarHBondContact O-N 3.35Š| ||
| 618 | Q | 55.5 | Low | 68.3 | Low | 134 Ų | 134 | 67.5 Ų | 67.5 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | trans | -83.2 | 114.6 | -179.6 | -68.5 | -176.6 | -12 | 0 | 0 | 111.9 | S616 I620 S621 | S616-Q618 PolarHBondContact O-N 2.65Å; S616-Q618 PolarHBondContact OG-N 3.13Å; Q618-I620 PolarHBondContact O-N 3.08Å; Q618-S621 PolarHBondContact O-N 3.17Å; Q618-S621 VanDerWaalsContact O-N 3.08Å | ||
| 619 | A | 55.2 | Low | 68.5 | Low | 79 Ų | 79 | 61.5 Ų | 61.5 | 65% | 0.653 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.2 | -21.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P617 H623 | P617-A619 PolarHBondContact O-N 3.35Å; A619-H623 WeakPolarHBondContact O-CB 3.15Å; A619-H623 PolarHBondContact O-N 3.24Å |
| 620 | I | 56.2 | Low | 69 | Low | 111 Ų | 111 | 63.1 Ų | 63.1 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | 176.8 | -63.4 | 173.7 | 0 | 0 | 0 | 111 | Q618 H623 Y624 | Q618-I620 PolarHBondContact O-N 3.08Å; I620-H623 PolarHBondContact O-N 3.03Å; I620-Y624 HydrophobicContact CG2-CD2 4.15Å; I620-Y624 HydrophobicContact CG2-CE2 3.5Å; I620-Y624 VanDerWaalsContact CG2-CE2 3.5Å; I620-Y624 WeakPolarHBondContact O-CD2 3.02Å; I620-Y624 PolarHBondContact O-N 3.41Å |
| 621 | S | 62 | Low | 69.8 | Low | 34 Ų | 34 | 62.6 Ų | 62.6 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -52 | -179.7 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | S613 Q618 H623 Y624 S625 | S613-S621 WeakPolarHBondContact CA-OG 3.24Å; S613-S621 WeakPolarHBondContact CB-OG 3.45Å; Q618-S621 PolarHBondContact O-N 3.17Å; Q618-S621 VanDerWaalsContact O-N 3.08Å; S621-H623 VanDerWaalsContact C-N 3.3Å; S621-H623 PolarHBondContact O-N 3.4Å; S621-Y624 WeakPolarHBondContact O-CA 3.38Å; S621-Y624 WeakPolarHBondContact O-CB 3.43Å; S621-Y624 PolarHBondContact O-N 3.36Å; S621-S625 PolarHBondContact O-N 3.36Å; S621-S625 PolarHBondContact O-OG 2.9Å |
| 622 | R | 62.9 | Low | 70.8 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 179.5 | -62.8 | -178.6 | -172.7 | -173 | 0.6 | 113.3 | S613 Y624 S625 S626 | S613-R622 PolarHBondContact O-NE 3.48Å; S613-R622 VanDerWaalsContact O-NE 3.08Å; R622-Y624 VanDerWaalsContact C-N 3.26Å; R622-Y624 PolarHBondContact O-N 3.32Å; R622-S625 PolarHBondContact O-N 3.11Å; R622-S626 PolarHBondContact O-N 2.96Å |
| 623 | H | 67.9 | Low | 71.9 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 44% | 0.44 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -30.6 | 175.2 | 171.8 | -99.6 | 0 | 0 | 0 | 112.6 | A619 I620 S621 R627 | A619-H623 WeakPolarHBondContact O-CB 3.15Å; A619-H623 PolarHBondContact O-N 3.24Å; I620-H623 PolarHBondContact O-N 3.03Å; S621-H623 VanDerWaalsContact C-N 3.3Å; S621-H623 PolarHBondContact O-N 3.4Å; H623-R627 PolarHBondContact CE1-NE 2.87Å; H623-R627 PolarHBondContact NE2-NE 2.94Å; H623-R627 WeakPolarHBondContact O-CB 3.35Å; H623-R627 WeakPolarHBondContact O-CD 3.37Å; H623-R627 VanDerWaalsContact O-CG 3.24Å; H623-R627 WeakPolarHBondContact O-CG 3.47Å; H623-R627 PolarHBondContact O-N 3.01Å |
| 624 | Y | 71.5 | Confident | 73.2 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.5 | -41.3 | 170.2 | -62.7 | -40.5 | 0 | 0 | 0 | 112.2 | S465 I620 S621 R622 R627 S628 | S465-Y624 WeakPolarHBondContact O-CD1 3.48Å; S465-Y624 VanDerWaalsContact O-CE1 3.26Å; S465-Y624 WeakPolarHBondContact O-CE1 3.49Å; I620-Y624 HydrophobicContact CG2-CD2 4.15Å; I620-Y624 HydrophobicContact CG2-CE2 3.5Å; I620-Y624 VanDerWaalsContact CG2-CE2 3.5Å; I620-Y624 WeakPolarHBondContact O-CD2 3.02Å; I620-Y624 PolarHBondContact O-N 3.41Å; S621-Y624 WeakPolarHBondContact O-CA 3.38Å; S621-Y624 WeakPolarHBondContact O-CB 3.43Å; S621-Y624 PolarHBondContact O-N 3.36Å; R622-Y624 VanDerWaalsContact C-N 3.26Å; R622-Y624 PolarHBondContact O-N 3.32Å; Y624-R627 CarbonylContact O-C 3.6Å; Y624-R627 WeakPolarHBondContact O-CB 3.2Å; Y624-R627 PolarHBondContact O-N 2.78Å; Y624-S628 PolarHBondContact O-N 2.71Å; Y624-S628 PolarHBondContact O-OG 2.65Å |
| 625 | S | 72.8 | Confident | 75 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | -179.3 | -45.6 | 0 | 0 | 0 | 0 | 113.4 | G609 S613 S621 R622 R627 S628 L629 | G609-S625 PolarHBondContact O-OG 2.7Å; S613-S625 WeakPolarHBondContact CB-OG 3.5Å; S613-S625 PolarHBondContact OG-OG 3.08Å; S621-S625 PolarHBondContact O-N 3.36Å; S621-S625 PolarHBondContact O-OG 2.9Å; R622-S625 PolarHBondContact O-N 3.11Å; S625-R627 VanDerWaalsContact C-N 3.32Å; S625-R627 PolarHBondContact O-N 2.98Å; S625-S628 WeakPolarHBondContact CA-OG 3.45Å; S625-S628 PolarHBondContact O-N 3.12Å; S625-S628 PolarHBondContact O-OG 3.47Å; S625-S628 VanDerWaalsContact O-OG 3.06Å; S625-L629 PolarHBondContact O-N 3.29Å |
| 626 | S | 80.3 | Confident | 76.7 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 171.3 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | R622 S630 D664 | R622-S626 PolarHBondContact O-N 2.96Å; S626-S630 PolarHBondContact O-N 2.72Å; S626-D664 VanDerWaalsContact CB-OD1 3.23Å; S626-D664 WeakPolarHBondContact CB-OD1 3.38Å; S626-D664 WeakPolarHBondContact CB-OD2 3.41Å; S626-D664 PolarHBondContact OG-OD1 2.66Å |
| 627 | R | 85 | Confident | 78.8 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 173.1 | -80.6 | 173.3 | 162.1 | -154.4 | -7.2 | 112.6 | Y464 S465 V467 D469 H623 Y624 S625 S630 M631 | Y464-R627 WeakPolarHBondContact CD1-O 3.39Å; Y464-R627 WeakPolarHBondContact CE1-O 3.18Å; S465-R627 PolarHBondContact O-NH1 3.05Å; V467-R627 PolarHBondContact O-NH1 2.9Å; V467-R627 PolarHBondContact O-NH2 3.41Å; D469-R627 IonicContact OD1-CZ 3.18Å; D469-R627 IonicContact OD1-NH2 2.65Å; D469-R627 PolarHBondContact OD1-NH2 2.9Å; H623-R627 PolarHBondContact CE1-NE 2.87Å; H623-R627 PolarHBondContact NE2-NE 2.94Å; H623-R627 WeakPolarHBondContact O-CB 3.35Å; H623-R627 WeakPolarHBondContact O-CD 3.37Å; H623-R627 VanDerWaalsContact O-CG 3.24Å; H623-R627 WeakPolarHBondContact O-CG 3.47Å; H623-R627 PolarHBondContact O-N 3.01Å; Y624-R627 CarbonylContact O-C 3.6Å; Y624-R627 WeakPolarHBondContact O-CB 3.2Å; Y624-R627 PolarHBondContact O-N 2.78Å; S625-R627 VanDerWaalsContact C-N 3.32Å; S625-R627 PolarHBondContact O-N 2.98Å; R627-S630 CarbonylContact O-C 3.52Å; R627-S630 WeakPolarHBondContact O-CA 3.38Å; R627-S630 WeakPolarHBondContact O-CB 3.3Å; R627-S630 PolarHBondContact O-N 2.98Å; R627-S630 VanDerWaalsContact O-N 3.12Å; R627-M631 PolarHBondContact O-N 3.02Å |
| 628 | S | 86.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.3 | -30.7 | -178.8 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | Y624 S625 M631 L632 | Y624-S628 PolarHBondContact O-N 2.71Å; Y624-S628 PolarHBondContact O-OG 2.65Å; S625-S628 WeakPolarHBondContact CA-OG 3.45Å; S625-S628 PolarHBondContact O-N 3.12Å; S625-S628 PolarHBondContact O-OG 3.47Å; S625-S628 VanDerWaalsContact O-OG 3.06Å; S628-M631 VanDerWaalsContact O-CB 3.28Å; S628-M631 WeakPolarHBondContact O-CB 3.49Å; S628-M631 PolarHBondContact O-N 2.85Å; S628-L632 PolarHBondContact O-N 2.89Å |
| 629 | L | 90.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 163.5 | -178 | 60.8 | 0 | 0 | 0 | 112.3 | V606 S625 M631 L632 L633 I655 L660 D664 A667 A668 L671 | V606-L629 HydrophobicContact CG1-CB 4.41Å; S625-L629 PolarHBondContact O-N 3.29Å; L629-M631 PolarHBondContact O-N 2.7Å; L629-L632 PolarHBondContact O-N 2.94Å; L629-L632 VanDerWaalsContact O-N 3.17Å; L629-L633 PolarHBondContact O-N 3.42Å; L629-I655 HydrophobicContact CD1-CG2 4.01Å; L629-L660 HydrophobicContact CD2-CD1 4.38Å; L629-D664 HydrophobicContact CD2-CB 3.82Å; L629-D664 WeakPolarHBondContact CD2-O 3.42Å; L629-A667 HydrophobicContact CD2-CB 4.16Å; L629-A667 HydrophobicContact CG-CB 4.3Å; L629-A668 HydrophobicContact CD1-CB 4.45Å; L629-A668 HydrophobicContact CD2-CB 4.35Å; L629-L671 HydrophobicContact CD1-CD1 4.09Å |
| 630 | S | 91.2 | Very high | 84.2 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.8 | -30.9 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 113.1 | Y464 S626 R627 L633 V634 | Y464-S630 PolarHBondContact OH-OG 3.06Å; S626-S630 PolarHBondContact O-N 2.72Å; R627-S630 CarbonylContact O-C 3.52Å; R627-S630 WeakPolarHBondContact O-CA 3.38Å; R627-S630 WeakPolarHBondContact O-CB 3.3Å; R627-S630 PolarHBondContact O-N 2.98Å; R627-S630 VanDerWaalsContact O-N 3.12Å; S630-L633 PolarHBondContact O-N 3.33Å; S630-V634 WeakPolarHBondContact O-CG2 3.33Å; S630-V634 PolarHBondContact O-N 3.46Å; S630-V634 VanDerWaalsContact O-N 3.12Å |
| 631 | M | 94.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -51.4 | 171.5 | -173.4 | 176.2 | 54.6 | 0 | 0 | 111 | L460 Y461 Y464 L602 R627 S628 L629 L633 V634 L635 | L460-M631 HydrophobicContact CD2-SD 4.47Å; L460-M631 HydrophobicContact CG-SD 3.96Å; Y461-M631 HydrophobicContact CD2-CE 4.18Å; Y464-M631 VanDerWaalsContact CB-SD 3.55Å; Y464-M631 HydrophobicContact CD1-CB 3.61Å; Y464-M631 HydrophobicContact CD1-CG 4.15Å; Y464-M631 HydrophobicContact CD1-SD 4.36Å; Y464-M631 HydrophobicContact CD2-CB 3.97Å; Y464-M631 HydrophobicContact CD2-CG 3.66Å; Y464-M631 HydrophobicContact CD2-SD 3.95Å; Y464-M631 HydrophobicContact CE1-CB 3.57Å; Y464-M631 HydrophobicContact CE1-CG 4.35Å; Y464-M631 HydrophobicContact CE2-CB 3.95Å; Y464-M631 HydrophobicContact CE2-CG 3.9Å; Y464-M631 HydrophobicContact CG-CB 3.81Å; Y464-M631 HydrophobicContact CG-CG 3.8Å; Y464-M631 HydrophobicContact CG-SD 3.72Å; L602-M631 HydrophobicContact CD1-CE 4.35Å; L602-M631 HydrophobicContact CD2-CE 3.76Å; L602-M631 HydrophobicContact CG-CE 4.49Å; R627-M631 PolarHBondContact O-N 3.02Å; S628-M631 VanDerWaalsContact O-CB 3.28Å; S628-M631 WeakPolarHBondContact O-CB 3.49Å; S628-M631 PolarHBondContact O-N 2.85Å; L629-M631 PolarHBondContact O-N 2.7Å; M631-L633 PolarHBondContact O-N 3.42Å; M631-V634 PolarHBondContact O-N 2.94Å; M631-L635 HydrophobicContact CG-CD1 3.98Å; M631-L635 HydrophobicContact CG-CG 4.39Å; M631-L635 WeakPolarHBondContact O-CG 3.36Å; M631-L635 PolarHBondContact O-N 3.06Å |
| 632 | L | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 177.8 | -65.2 | 178.9 | 0 | 0 | 0 | 111.6 | L602 V603 V606 S628 L629 L635 S636 I655 L671 | L602-L632 HydrophobicContact CB-CD2 4.01Å; V603-L632 HydrophobicContact CG2-CD1 3.96Å; V603-L632 HydrophobicContact CG2-CD2 3.98Å; V606-L632 HydrophobicContact CB-CD1 3.85Å; V606-L632 HydrophobicContact CG1-CD1 3.88Å; V606-L632 HydrophobicContact CG2-CD1 3.76Å; V606-L632 HydrophobicContact CG2-CG 4.02Å; S628-L632 PolarHBondContact O-N 2.89Å; L629-L632 PolarHBondContact O-N 2.94Å; L629-L632 VanDerWaalsContact O-N 3.17Å; L632-L635 CarbonylContact O-C 3.56Å; L632-L635 PolarHBondContact O-N 3.44Å; L632-S636 WeakPolarHBondContact O-CB 3.5Å; L632-S636 PolarHBondContact O-N 2.83Å; L632-I655 HydrophobicContact CD1-CD1 4.4Å; L632-L671 HydrophobicContact CB-CD1 3.51Å; L632-L671 HydrophobicContact CD1-CD1 4.28Å |
| 633 | L | 95.3 | Very high | 88.3 | Confident | 29 Ų | 29 | 28.2 Ų | 28.2 | 15% | 0.152 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.3 | 175.5 | 60.1 | 0 | 0 | 0 | 112.3 | L629 S630 M631 L635 S636 Y637 A667 H670 L671 | L629-L633 PolarHBondContact O-N 3.42Å; S630-L633 PolarHBondContact O-N 3.33Å; M631-L633 PolarHBondContact O-N 3.42Å; L633-L635 VanDerWaalsContact C-N 3.35Å; L633-S636 PolarHBondContact O-N 3.02Å; L633-S636 PolarHBondContact O-OG 3.04Å; L633-Y637 PolarHBondContact O-N 3.39Å; L633-A667 HydrophobicContact CD2-CB 4.21Å; L633-H670 HydrophobicContact CD1-CB 3.85Å; L633-L671 HydrophobicContact CD1-CB 4.25Å |
| 634 | V | 95.3 | Very high | 89 | Confident | 18 Ų | 18 | 24.4 Ų | 24.4 | 11% | 0.109 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | N476 F479 S630 M631 S638 | N476-V634 HydrophobicContact CB-CG1 4.45Å; N476-V634 HydrophobicContact CB-CG2 4.44Å; F479-V634 HydrophobicContact CB-CG1 3.99Å; F479-V634 HydrophobicContact CD2-CG1 4.16Å; S630-V634 WeakPolarHBondContact O-CG2 3.33Å; S630-V634 PolarHBondContact O-N 3.46Å; S630-V634 VanDerWaalsContact O-N 3.12Å; M631-V634 PolarHBondContact O-N 2.94Å; V634-S638 VanDerWaalsContact O-CB 3.27Å; V634-S638 WeakPolarHBondContact O-CB 3.47Å; V634-S638 PolarHBondContact O-N 3.42Å; V634-S638 PolarHBondContact O-OG 3.34Å |
| 635 | L | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.8 | -34.8 | 176.4 | -65 | 176.3 | 0 | 0 | 0 | 112.4 | F479 I594 I599 L602 M631 L632 L633 Y637 S638 F639 F643 | F479-L635 HydrophobicContact CD2-CD2 4.48Å; I594-L635 HydrophobicContact CD1-CD1 4.28Å; I594-L635 HydrophobicContact CD1-CD2 3.94Å; I594-L635 HydrophobicContact CG1-CD2 3.99Å; I599-L635 HydrophobicContact CD1-CB 4.15Å; I599-L635 HydrophobicContact CD1-CD1 3.94Å; L602-L635 HydrophobicContact CD1-CD1 3.72Å; M631-L635 HydrophobicContact CG-CD1 3.98Å; M631-L635 HydrophobicContact CG-CG 4.39Å; M631-L635 WeakPolarHBondContact O-CG 3.36Å; M631-L635 PolarHBondContact O-N 3.06Å; L632-L635 CarbonylContact O-C 3.56Å; L632-L635 PolarHBondContact O-N 3.44Å; L633-L635 VanDerWaalsContact C-N 3.35Å; L635-Y637 VanDerWaalsContact C-N 3.27Å; L635-Y637 PolarHBondContact O-N 3.33Å; L635-S638 PolarHBondContact O-N 3.05Å; L635-S638 VanDerWaalsContact O-N 3.11Å; L635-F639 HydrophobicContact CD2-CD2 3.63Å; L635-F639 HydrophobicContact CD2-CE2 3.93Å; L635-F639 CarbonylContact O-C 3.51Å; L635-F639 WeakPolarHBondContact O-CA 3.16Å; L635-F639 PolarHBondContact O-N 3.34Å; L635-F643 HydrophobicContact CB-CE2 4.22Å; L635-F643 HydrophobicContact CB-CZ 4.18Å |
| 636 | S | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -33.1 | 177.1 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | L632 L633 T640 N674 | L632-S636 WeakPolarHBondContact O-CB 3.5Å; L632-S636 PolarHBondContact O-N 2.83Å; L633-S636 PolarHBondContact O-N 3.02Å; L633-S636 PolarHBondContact O-OG 3.04Å; S636-T640 WeakPolarHBondContact O-CA 3.41Å; S636-T640 WeakPolarHBondContact O-CB 3.25Å; S636-T640 PolarHBondContact O-OG1 3.48Å; S636-N674 PolarHBondContact OG-ND2 2.84Å |
| 637 | Y | 94 | Very high | 89.8 | Confident | 120 Ų | 120 | 27.3 Ų | 27.3 | 47% | 0.471 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -78.8 | -38.8 | 170.4 | 175.1 | -98.4 | 0 | 0 | 0 | 112.6 | I480 A483 L633 L635 | I480-Y637 HydrophobicContact CG1-CD1 4.24Å; I480-Y637 HydrophobicContact CG1-CE1 4.34Å; I480-Y637 HydrophobicContact CG2-CE1 4.2Å; A483-Y637 HydrophobicContact CB-CE1 4.31Å; L633-Y637 PolarHBondContact O-N 3.39Å; L635-Y637 VanDerWaalsContact C-N 3.27Å; L635-Y637 PolarHBondContact O-N 3.33Å |
| 638 | S | 93.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -88.7 | -26.5 | -168.2 | -52.2 | 0 | 0 | 0 | 0 | 114.3 | F479 R486 V634 L635 | F479-S638 PolarHBondContact O-OG 3.21Å; R486-S638 PolarHBondContact NH2-O 3.4Å; V634-S638 VanDerWaalsContact O-CB 3.27Å; V634-S638 WeakPolarHBondContact O-CB 3.47Å; V634-S638 PolarHBondContact O-N 3.42Å; V634-S638 PolarHBondContact O-OG 3.34Å; L635-S638 PolarHBondContact O-N 3.05Å; L635-S638 VanDerWaalsContact O-N 3.11Å |
| 639 | F | 93.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -138.8 | 38 | -172.1 | -62.7 | -89 | 0 | 0 | 0 | 111.4 | F479 R486 L552 P591 I594 L635 K641 A642 | F479-F639 HydrophobicContact CB-CE2 4.4Å; F479-F639 AromaticContact CD1-CE2 3.79Å; F479-F639 HydrophobicContact CD1-CE2 3.79Å; F479-F639 HydrophobicContact CD1-CZ 4.27Å; F479-F639 HydrophobicContact CE1-CE2 4.45Å; F479-F639 HydrophobicContact CG-CE2 4.36Å; R486-F639 VanDerWaalsContact NH2-CZ 3.34Å; L552-F639 HydrophobicContact CD2-CD1 3.99Å; L552-F639 HydrophobicContact CD2-CE1 4.41Å; P591-F639 HydrophobicContact CB-CD1 4.42Å; P591-F639 HydrophobicContact CB-CE1 4.12Å; I594-F639 HydrophobicContact CB-CD1 3.82Å; I594-F639 HydrophobicContact CB-CD2 4.22Å; I594-F639 HydrophobicContact CB-CE1 3.92Å; I594-F639 HydrophobicContact CB-CE2 4.33Å; I594-F639 HydrophobicContact CB-CG 3.98Å; I594-F639 HydrophobicContact CB-CZ 4.19Å; I594-F639 HydrophobicContact CG1-CD1 4.39Å; I594-F639 HydrophobicContact CG1-CD2 4.06Å; I594-F639 HydrophobicContact CG1-CE1 4.18Å; I594-F639 HydrophobicContact CG1-CE2 3.85Å; I594-F639 HydrophobicContact CG1-CG 4.34Å; I594-F639 HydrophobicContact CG1-CZ 3.91Å; I594-F639 HydrophobicContact CG2-CB 3.93Å; I594-F639 HydrophobicContact CG2-CD1 4.03Å; I594-F639 HydrophobicContact CG2-CD2 4.17Å; I594-F639 HydrophobicContact CG2-CG 3.79Å; L635-F639 HydrophobicContact CD2-CD2 3.63Å; L635-F639 HydrophobicContact CD2-CE2 3.93Å; L635-F639 CarbonylContact O-C 3.51Å; L635-F639 WeakPolarHBondContact O-CA 3.16Å; L635-F639 PolarHBondContact O-N 3.34Å; F639-K641 VanDerWaalsContact C-N 3.32Å; F639-K641 PolarHBondContact O-N 3.35Å; F639-K641 VanDerWaalsContact O-N 3.12Å; F639-A642 HydrophobicContact CB-CB 4.45Å; F639-A642 WeakPolarHBondContact O-CB 3.18Å; F639-A642 PolarHBondContact O-N 2.97Å |
| 640 | T | 89.5 | Confident | 89.4 | Confident | 39 Ų | 39 | 30.7 Ų | 30.7 | 24% | 0.239 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -45.6 | -48.4 | -170.1 | -44.7 | 0 | 0 | 0 | 0 | 114.2 | S636 A642 F643 N674 V675 M678 | S636-T640 WeakPolarHBondContact O-CA 3.41Å; S636-T640 WeakPolarHBondContact O-CB 3.25Å; S636-T640 PolarHBondContact O-OG1 3.48Å; T640-A642 PolarHBondContact O-N 3.49Å; T640-A642 VanDerWaalsContact O-N 3.14Å; T640-F643 PolarHBondContact O-N 2.92Å; T640-F643 VanDerWaalsContact O-N 3.09Å; T640-N674 WeakPolarHBondContact CG2-O 3.38Å; T640-V675 HydrophobicContact CG2-CB 4.4Å; T640-V675 HydrophobicContact CG2-CG1 3.82Å; T640-M678 HydrophobicContact CG2-CG 4.09Å |
| 641 | K | 87.6 | Confident | 89.2 | Confident | 77 Ų | 77 | 29 Ų | 29 | 34% | 0.335 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -64.6 | -12.5 | -179.3 | -81.8 | -179.4 | 162.9 | -155.2 | 0 | 115.7 | S551 L552 E553 F639 F643 M678 | S551-K641 WeakPolarHBondContact O-CD 3.39Å; L552-K641 HydrophobicContact CB-CB 4.11Å; E553-K641 HydrophobicContact CG-CB 4.31Å; E553-K641 HydrophobicContact CG-CD 4.06Å; E553-K641 WeakPolarHBondContact OE1-CE 3.31Å; E553-K641 IonicContact OE1-NZ 3.37Å; E553-K641 PolarHBondContact OE1-NZ 2.94Å; E553-K641 IonicContact OE2-NZ 3.75Å; F639-K641 VanDerWaalsContact C-N 3.32Å; F639-K641 PolarHBondContact O-N 3.35Å; F639-K641 VanDerWaalsContact O-N 3.12Å; K641-F643 VanDerWaalsContact C-N 3.29Å; K641-M678 HydrophobicContact CB-SD 4.16Å; K641-M678 HydrophobicContact CG-SD 3.48Å; K641-M678 WeakPolarHBondContact CG-SD 3.46Å |
| 642 | A | 89.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -77.7 | -13.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R596 I599 F639 T640 C644 | R596-A642 WeakPolarHBondContact CA-O 3.43Å; I599-A642 HydrophobicContact CG1-CB 3.64Å; F639-A642 HydrophobicContact CB-CB 4.45Å; F639-A642 WeakPolarHBondContact O-CB 3.18Å; F639-A642 PolarHBondContact O-N 2.97Å; T640-A642 PolarHBondContact O-N 3.49Å; T640-A642 VanDerWaalsContact O-N 3.14Å; A642-C644 PolarHBondContact O-N 3.11Å; A642-C644 VanDerWaalsContact O-N 3.11Å |
| 643 | F | 89.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -84.3 | 40.3 | 176.8 | -69.8 | -106.4 | 0 | 0 | 0 | 112.4 | I599 L635 T640 K641 T648 L671 V675 F679 | I599-F643 HydrophobicContact CD1-CD2 4.47Å; I599-F643 HydrophobicContact CD1-CE2 3.75Å; I599-F643 HydrophobicContact CD1-CZ 3.92Å; I599-F643 HydrophobicContact CG1-CD2 4.32Å; I599-F643 HydrophobicContact CG1-CE2 4.09Å; I599-F643 HydrophobicContact CG1-CZ 4.47Å; I599-F643 HydrophobicContact CG2-CD1 3.62Å; I599-F643 HydrophobicContact CG2-CD2 4.04Å; I599-F643 HydrophobicContact CG2-CE1 3.62Å; I599-F643 HydrophobicContact CG2-CE2 4.03Å; I599-F643 HydrophobicContact CG2-CG 3.83Å; I599-F643 HydrophobicContact CG2-CZ 3.83Å; L635-F643 HydrophobicContact CB-CE2 4.22Å; L635-F643 HydrophobicContact CB-CZ 4.18Å; T640-F643 PolarHBondContact O-N 2.92Å; T640-F643 VanDerWaalsContact O-N 3.09Å; K641-F643 VanDerWaalsContact C-N 3.29Å; F643-T648 HydrophobicContact CB-CG2 4.22Å; F643-T648 HydrophobicContact CD1-CG2 3.78Å; F643-T648 HydrophobicContact CG-CG2 4.32Å; F643-L671 HydrophobicContact CE1-CD2 4.5Å; F643-V675 HydrophobicContact CB-CB 3.94Å; F643-V675 HydrophobicContact CB-CG1 3.71Å; F643-V675 HydrophobicContact CB-CG2 4.41Å; F643-V675 HydrophobicContact CD1-CG1 4.14Å; F643-V675 HydrophobicContact CD1-CG2 4.46Å; F643-V675 HydrophobicContact CD2-CG1 3.73Å; F643-V675 HydrophobicContact CE2-CG1 4.38Å; F643-V675 HydrophobicContact CG-CB 4.27Å; F643-V675 HydrophobicContact CG-CG1 3.59Å; F643-F679 HydrophobicContact CB-CE1 4.37Å; F643-F679 WeakPolarHBondContact O-CE1 3.23Å | ||
| 644 | C | 83.1 | Confident | 88.1 | Confident | 14 Ų | 14 | 29.6 Ų | 29.6 | 10% | 0.095 | 15% | 0.154 | C | C | . | . | trans | -104.9 | 6.6 | -170.7 | 72 | 0 | 0 | 0 | 0 | 114.9 | A642 | A642-C644 PolarHBondContact O-N 3.11Å; A642-C644 VanDerWaalsContact O-N 3.11Å | ||
| 645 | L | 82.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 28.9 Ų | 28.9 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -94.6 | 140.2 | -179.1 | -64.7 | 176.4 | 0 | 0 | 0 | 110.8 | R596 D600 N647 T648 A649 | R596-L645 HydrophobicContact CB-CD1 4.2Å; R596-L645 HydrophobicContact CB-CG 4.27Å; R596-L645 HydrophobicContact CG-CD1 4.44Å; R596-L645 WeakPolarHBondContact O-CD1 3.34Å; D600-L645 HydrophobicContact CB-CD1 4.06Å; L645-N647 VanDerWaalsContact C-N 3.29Å; L645-N647 PolarHBondContact O-N 2.99Å; L645-T648 WeakPolarHBondContact O-CB 3.47Å; L645-T648 PolarHBondContact O-N 3.33Å; L645-A649 PolarHBondContact O-N 3.24Å; L645-A649 VanDerWaalsContact O-N 3.1Å |
| 646 | P | 77.2 | Confident | 87.4 | Confident | 43 Ų | 43 | 29 Ų | 29 | 28% | 0.279 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.8 | -39.8 | 179.5 | -26.6 | 35.1 | 0 | 0 | 0 | 113.4 | T648 A649 Q650 F682 I708 | P646-T648 VanDerWaalsContact C-N 3.32Å; P646-T648 PolarHBondContact O-N 3.04Å; P646-A649 PolarHBondContact O-N 3.07Å; P646-Q650 PolarHBondContact O-N 3.32Å; P646-F682 HydrophobicContact CG-CE1 4.16Å; P646-F682 HydrophobicContact CG-CZ 3.84Å; P646-I708 HydrophobicContact CB-CG1 4.34Å; P646-I708 HydrophobicContact CG-CD1 4.07Å; P646-I708 HydrophobicContact CG-CG1 4.38Å |
| 647 | N | 81.8 | Confident | 87.1 | Confident | 109 Ų | 109 | 33.4 Ų | 33.4 | 58% | 0.583 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -58.9 | -41.8 | 174.6 | -68.2 | -1 | 0 | 0 | 0 | 112 | D600 L645 Q650 G651 | D600-N647 WeakPolarHBondContact OD1-CB 3.16Å; D600-N647 WeakPolarHBondContact OD2-CB 3.37Å; L645-N647 VanDerWaalsContact C-N 3.29Å; L645-N647 PolarHBondContact O-N 2.99Å; N647-Q650 PolarHBondContact O-N 3.41Å; N647-G651 PolarHBondContact O-N 3.13Å |
| 648 | T | 87.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.4 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | I599 D600 V603 F643 L645 P646 V652 | I599-T648 HydrophobicContact CG2-CG2 3.67Å; D600-T648 WeakPolarHBondContact CA-OG1 3.2Å; D600-T648 WeakPolarHBondContact OD1-CA 3.41Å; D600-T648 WeakPolarHBondContact OD1-CB 3.41Å; D600-T648 PolarHBondContact OD1-N 3.12Å; D600-T648 PolarHBondContact OD1-OG1 3.17Å; V603-T648 HydrophobicContact CG2-CG2 4.16Å; F643-T648 HydrophobicContact CB-CG2 4.22Å; F643-T648 HydrophobicContact CD1-CG2 3.78Å; F643-T648 HydrophobicContact CG-CG2 4.32Å; L645-T648 WeakPolarHBondContact O-CB 3.47Å; L645-T648 PolarHBondContact O-N 3.33Å; P646-T648 VanDerWaalsContact C-N 3.32Å; P646-T648 PolarHBondContact O-N 3.04Å; T648-V652 WeakPolarHBondContact O-CB 3.46Å; T648-V652 VanDerWaalsContact O-CG2 3.28Å; T648-V652 WeakPolarHBondContact O-CG2 3.08Å; T648-V652 PolarHBondContact O-N 3.47Å |
| 649 | A | 82.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L645 P646 V652 L653 F679 | L645-A649 PolarHBondContact O-N 3.24Å; L645-A649 VanDerWaalsContact O-N 3.1Å; P646-A649 PolarHBondContact O-N 3.07Å; A649-V652 PolarHBondContact O-N 2.87Å; A649-L653 PolarHBondContact O-N 2.82Å; A649-F679 HydrophobicContact CB-CD1 3.7Å; A649-F679 HydrophobicContact CB-CE1 3.72Å; A649-F679 HydrophobicContact CB-CG 4.23Å; A649-F679 HydrophobicContact CB-CZ 4.25Å |
| 650 | Q | 83.3 | Confident | 85.4 | Confident | 82 Ų | 82 | 36.6 Ų | 36.6 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.8 | -178.6 | 56.8 | 76.4 | 0 | 0 | 112.8 | P646 N647 L653 T654 | P646-Q650 PolarHBondContact O-N 3.32Å; N647-Q650 PolarHBondContact O-N 3.41Å; Q650-L653 WeakPolarHBondContact O-CB 2.96Å; Q650-L653 PolarHBondContact O-N 2.71Å; Q650-T654 PolarHBondContact O-N 3.08Å; Q650-T654 PolarHBondContact O-OG1 2.9Å; Q650-T654 VanDerWaalsContact O-OG1 3.08Å |
| 651 | G | 86.9 | Confident | 85.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N647 L653 T654 I655 | N647-G651 PolarHBondContact O-N 3.13Å; G651-L653 VanDerWaalsContact C-N 3.32Å; G651-T654 PolarHBondContact O-N 3.15Å; G651-I655 VanDerWaalsContact O-CG1 3.27Å; G651-I655 WeakPolarHBondContact O-CG1 3.34Å; G651-I655 PolarHBondContact O-N 2.95Å |
| 652 | V | 89 | Confident | 85.1 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 171 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | V603 T648 A649 L656 L671 V672 F679 | V603-V652 HydrophobicContact CG1-CG2 4.25Å; V603-V652 HydrophobicContact CG2-CG2 4.12Å; T648-V652 WeakPolarHBondContact O-CB 3.46Å; T648-V652 VanDerWaalsContact O-CG2 3.28Å; T648-V652 WeakPolarHBondContact O-CG2 3.08Å; T648-V652 PolarHBondContact O-N 3.47Å; A649-V652 PolarHBondContact O-N 2.87Å; V652-L656 WeakPolarHBondContact O-CB 3.48Å; V652-L656 PolarHBondContact O-N 3.41Å; V652-L656 VanDerWaalsContact O-N 3.08Å; V652-L671 HydrophobicContact CG1-CD2 3.8Å; V652-L671 HydrophobicContact CG2-CD2 4.07Å; V652-V672 HydrophobicContact CG1-CG2 3.65Å; V652-F679 HydrophobicContact CB-CZ 4.27Å; V652-F679 HydrophobicContact CG1-CE2 4.27Å; V652-F679 HydrophobicContact CG1-CZ 4.15Å; V652-F679 HydrophobicContact CG2-CZ 4.5Å |
| 653 | L | 86.8 | Confident | 84.9 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 172.3 | 179.1 | 61.7 | 0 | 0 | 0 | 111.8 | A649 Q650 G651 I655 L656 Q657 L715 E718 | A649-L653 PolarHBondContact O-N 2.82Å; Q650-L653 WeakPolarHBondContact O-CB 2.96Å; Q650-L653 PolarHBondContact O-N 2.71Å; G651-L653 VanDerWaalsContact C-N 3.32Å; L653-I655 PolarHBondContact O-N 3.33Å; L653-L656 PolarHBondContact O-N 3.27Å; L653-L656 VanDerWaalsContact O-N 3.08Å; L653-Q657 HydrophobicContact CD1-CG 4.23Å; L653-Q657 WeakPolarHBondContact O-CG 3.33Å; L653-Q657 PolarHBondContact O-N 3.16Å; L653-L715 HydrophobicContact CD1-CB 4.17Å; L653-L715 HydrophobicContact CD1-CD1 4.07Å; L653-E718 HydrophobicContact CD1-CB 4.43Å |
| 654 | T | 87.3 | Confident | 84.8 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 21% | 0.209 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.2 | -45.7 | 0 | 0 | 0 | 0 | 111.2 | E607 Q650 G651 L656 Q657 D658 | E607-T654 HydrophobicContact CG-CG2 4.3Å; E607-T654 WeakPolarHBondContact OE1-CB 3.09Å; E607-T654 WeakPolarHBondContact OE1-CG2 3.37Å; E607-T654 PolarHBondContact OE1-OG1 3.27Å; Q650-T654 PolarHBondContact O-N 3.08Å; Q650-T654 PolarHBondContact O-OG1 2.9Å; Q650-T654 VanDerWaalsContact O-OG1 3.08Å; G651-T654 PolarHBondContact O-N 3.15Å; T654-L656 PolarHBondContact O-N 3.37Å; T654-Q657 PolarHBondContact O-N 3.39Å; T654-Q657 VanDerWaalsContact O-N 3.13Å; T654-D658 PolarHBondContact O-N 3.26Å |
| 655 | I | 88.9 | Confident | 85.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -33.5 | 175.5 | -70.5 | 166 | 0 | 0 | 0 | 111.6 | V603 V606 E607 L610 L629 L632 G651 L653 L660 | V603-I655 HydrophobicContact CG1-CD1 4.13Å; V606-I655 HydrophobicContact CB-CD1 4.3Å; V606-I655 HydrophobicContact CG1-CD1 3.94Å; E607-I655 HydrophobicContact CB-CD1 4.19Å; E607-I655 HydrophobicContact CB-CG1 4.02Å; E607-I655 HydrophobicContact CG-CG1 4.48Å; L610-I655 HydrophobicContact CD1-CG1 4.11Å; L610-I655 HydrophobicContact CD1-CG2 3.91Å; L629-I655 HydrophobicContact CD1-CG2 4.01Å; L632-I655 HydrophobicContact CD1-CD1 4.4Å; G651-I655 VanDerWaalsContact O-CG1 3.27Å; G651-I655 WeakPolarHBondContact O-CG1 3.34Å; G651-I655 PolarHBondContact O-N 2.95Å; L653-I655 PolarHBondContact O-N 3.33Å; I655-L660 WeakPolarHBondContact O-CD1 3.35Å |
| 656 | L | 87.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79 | -30.5 | 177.9 | -169.3 | 65.1 | 0 | 0 | 0 | 112.9 | V652 L653 T654 D658 A668 V669 V672 L715 E718 R722 | V652-L656 WeakPolarHBondContact O-CB 3.48Å; V652-L656 PolarHBondContact O-N 3.41Å; V652-L656 VanDerWaalsContact O-N 3.08Å; L653-L656 PolarHBondContact O-N 3.27Å; L653-L656 VanDerWaalsContact O-N 3.08Å; T654-L656 PolarHBondContact O-N 3.37Å; L656-D658 VanDerWaalsContact C-N 3.33Å; L656-A668 HydrophobicContact CD1-CB 3.95Å; L656-V669 HydrophobicContact CD1-CG2 3.63Å; L656-V672 HydrophobicContact CD2-CG2 4.38Å; L656-L715 HydrophobicContact CD2-CD1 3.87Å; L656-E718 HydrophobicContact CB-CG 4.35Å; L656-E718 HydrophobicContact CD2-CB 4.41Å; L656-E718 HydrophobicContact CD2-CG 3.53Å; L656-E718 HydrophobicContact CG-CG 3.59Å; L656-R722 PolarHBondContact O-NH2 3.46Å |
| 657 | Q | 86.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 43.5 Ų | 43.5 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77.4 | -18 | 175.7 | -71.2 | 174.8 | -11.7 | 0 | 0 | 112.9 | L653 T654 S714 E718 | L653-Q657 HydrophobicContact CD1-CG 4.23Å; L653-Q657 WeakPolarHBondContact O-CG 3.33Å; L653-Q657 PolarHBondContact O-N 3.16Å; T654-Q657 PolarHBondContact O-N 3.39Å; T654-Q657 VanDerWaalsContact O-N 3.13Å; Q657-S714 PolarHBondContact NE2-OG 3.42Å; Q657-S714 VanDerWaalsContact NE2-OG 3.16Å; Q657-E718 HydrophobicContact CG-CG 4.42Å |
| 658 | D | 82.8 | Confident | 86.7 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -68.1 | 149.3 | 176.8 | -112.8 | -7.7 | 0 | 0 | 0 | 112.8 | T654 L656 L660 | T654-D658 PolarHBondContact O-N 3.26Å; L656-D658 VanDerWaalsContact C-N 3.33Å; D658-L660 VanDerWaalsContact C-N 3.28Å; D658-L660 PolarHBondContact O-N 2.78Å |
| 659 | P | 80.9 | Confident | 86.9 | Confident | 126 Ų | 126 | 38.5 Ų | 38.5 | 82% | 0.818 | 22% | 0.217 | S | C | * | . | trans | -78.3 | 70.9 | -177.6 | 32.6 | -35.8 | 0 | 0 | 0 | 112.6 | ||||
| 660 | L | 83.1 | Confident | 87.5 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | trans | -69.6 | 150.7 | 179.3 | -60.6 | 179.1 | 0 | 0 | 0 | 113.8 | L610 L629 I655 D658 D664 A665 A668 | L610-L660 HydrophobicContact CD1-CD2 4.35Å; L610-L660 HydrophobicContact CD2-CD2 4.01Å; L629-L660 HydrophobicContact CD2-CD1 4.38Å; I655-L660 WeakPolarHBondContact O-CD1 3.35Å; D658-L660 VanDerWaalsContact C-N 3.28Å; D658-L660 PolarHBondContact O-N 2.78Å; L660-D664 HydrophobicContact CB-CB 4.19Å; L660-D664 HydrophobicContact CD1-CB 4.42Å; L660-D664 HydrophobicContact CD2-CB 4.42Å; L660-A665 HydrophobicContact CB-CB 4.11Å; L660-A668 HydrophobicContact CD1-CB 3.84Å | ||
| 661 | E | 83.5 | Confident | 88 | Confident | 133 Ų | 133 | 36.4 Ų | 36.4 | 62% | 0.621 | 21% | 0.205 | S | C | * | . | trans | -67.7 | 153.8 | 165.5 | -65.9 | -168.8 | -165.2 | 0 | 0 | 110.8 | A663 D664 A665 | E661-A663 VanDerWaalsContact C-N 3.27Å; E661-A663 PolarHBondContact O-N 3.31Å; E661-A663 VanDerWaalsContact O-N 3.08Å; E661-D664 PolarHBondContact O-N 2.89Å; E661-A665 PolarHBondContact O-N 3.22Å | ||
| 662 | E | 85.6 | Confident | 88.3 | Confident | 96 Ų | 96 | 36.2 Ų | 36.2 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -49.3 | -43.8 | -171.6 | -169.2 | -152.6 | 138.8 | 0 | 0 | 113.4 | D664 A665 I666 V727 K729 | E662-D664 PolarHBondContact O-N 3.27Å; E662-A665 PolarHBondContact O-N 3.29Å; E662-I666 HydrophobicContact CG-CD1 3.84Å; E662-I666 WeakPolarHBondContact O-CB 3.29Å; E662-I666 WeakPolarHBondContact O-CD1 3.28Å; E662-I666 WeakPolarHBondContact O-CG1 3.38Å; E662-I666 PolarHBondContact O-N 3.04Å; E662-I666 WeakPolarHBondContact OE1-CD1 3.34Å; E662-V727 HydrophobicContact CG-CG1 4.13Å; E662-K729 IonicContact OE1-NZ 2.83Å; E662-K729 PolarHBondContact OE1-NZ 2.99Å |
| 663 | A | 85.9 | Confident | 88.4 | Confident | 72 Ų | 72 | 36 Ų | 36 | 60% | 0.595 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.8 | -39.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E661 A667 | E661-A663 VanDerWaalsContact C-N 3.27Å; E661-A663 PolarHBondContact O-N 3.31Å; E661-A663 VanDerWaalsContact O-N 3.08Å; A663-A667 PolarHBondContact O-N 3.2Å; A663-A667 VanDerWaalsContact O-N 3.13Å |
| 664 | D | 87.3 | Confident | 88.7 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77.5 | -37.4 | 178.3 | -68.7 | -32.7 | 0 | 0 | 0 | 110.7 | S626 L629 L660 E661 E662 I666 A667 A668 | S626-D664 VanDerWaalsContact CB-OD1 3.23Å; S626-D664 WeakPolarHBondContact CB-OD1 3.38Å; S626-D664 WeakPolarHBondContact CB-OD2 3.41Å; S626-D664 PolarHBondContact OG-OD1 2.66Å; L629-D664 HydrophobicContact CD2-CB 3.82Å; L629-D664 WeakPolarHBondContact CD2-O 3.42Å; L660-D664 HydrophobicContact CB-CB 4.19Å; L660-D664 HydrophobicContact CD1-CB 4.42Å; L660-D664 HydrophobicContact CD2-CB 4.42Å; E661-D664 PolarHBondContact O-N 2.89Å; E662-D664 PolarHBondContact O-N 3.27Å; D664-I666 VanDerWaalsContact C-N 3.32Å; D664-I666 PolarHBondContact O-N 2.98Å; D664-A667 CarbonylContact O-C 3.4Å; D664-A667 WeakPolarHBondContact O-CA 3.42Å; D664-A667 WeakPolarHBondContact O-CB 3.35Å; D664-A667 PolarHBondContact O-N 2.85Å; D664-A668 WeakPolarHBondContact O-CB 3.43Å; D664-A668 PolarHBondContact O-N 3.28Å |
| 665 | A | 89.5 | Confident | 88.9 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L660 E661 E662 V669 | L660-A665 HydrophobicContact CB-CB 4.11Å; E661-A665 PolarHBondContact O-N 3.22Å; E662-A665 PolarHBondContact O-N 3.29Å; A665-V669 WeakPolarHBondContact O-CG2 3.42Å; A665-V669 PolarHBondContact O-N 3.29Å; A665-V669 VanDerWaalsContact O-N 3.07Å |
| 666 | I | 91.2 | Very high | 88.7 | Confident | 24 Ų | 24 | 34.7 Ų | 34.7 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 172 | -68.9 | 159.7 | 0 | 0 | 0 | 110.9 | E662 D664 H670 K729 Q730 F733 | E662-I666 HydrophobicContact CG-CD1 3.84Å; E662-I666 WeakPolarHBondContact O-CB 3.29Å; E662-I666 WeakPolarHBondContact O-CD1 3.28Å; E662-I666 WeakPolarHBondContact O-CG1 3.38Å; E662-I666 PolarHBondContact O-N 3.04Å; E662-I666 WeakPolarHBondContact OE1-CD1 3.34Å; D664-I666 VanDerWaalsContact C-N 3.32Å; D664-I666 PolarHBondContact O-N 2.98Å; I666-H670 WeakPolarHBondContact O-CB 3.22Å; I666-H670 PolarHBondContact O-N 2.95Å; I666-K729 HydrophobicContact CD1-CB 3.68Å; I666-K729 HydrophobicContact CD1-CD 3.96Å; I666-K729 HydrophobicContact CD1-CG 4.33Å; I666-K729 HydrophobicContact CG1-CB 4.13Å; I666-K729 HydrophobicContact CG2-CB 4.46Å; I666-Q730 HydrophobicContact CG1-CB 4.17Å; I666-F733 HydrophobicContact CG2-CD2 4.12Å; I666-F733 HydrophobicContact CG2-CE2 3.9Å |
| 667 | A | 91.7 | Very high | 88.4 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L629 L633 A663 D664 H670 L671 | L629-A667 HydrophobicContact CD2-CB 4.16Å; L629-A667 HydrophobicContact CG-CB 4.3Å; L633-A667 HydrophobicContact CD2-CB 4.21Å; A663-A667 PolarHBondContact O-N 3.2Å; A663-A667 VanDerWaalsContact O-N 3.13Å; D664-A667 CarbonylContact O-C 3.4Å; D664-A667 WeakPolarHBondContact O-CA 3.42Å; D664-A667 WeakPolarHBondContact O-CB 3.35Å; D664-A667 PolarHBondContact O-N 2.85Å; A667-H670 PolarHBondContact O-N 2.88Å; A667-L671 WeakPolarHBondContact O-CB 3.32Å; A667-L671 PolarHBondContact O-N 3.48Å |
| 668 | A | 92.1 | Very high | 88 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L629 L656 L660 D664 H670 L671 V672 | L629-A668 HydrophobicContact CD1-CB 4.45Å; L629-A668 HydrophobicContact CD2-CB 4.35Å; L656-A668 HydrophobicContact CD1-CB 3.95Å; L660-A668 HydrophobicContact CD1-CB 3.84Å; D664-A668 WeakPolarHBondContact O-CB 3.43Å; D664-A668 PolarHBondContact O-N 3.28Å; A668-H670 VanDerWaalsContact C-N 3.33Å; A668-H670 PolarHBondContact O-N 2.72Å; A668-L671 WeakPolarHBondContact O-CB 3.44Å; A668-L671 PolarHBondContact O-N 3.06Å; A668-V672 PolarHBondContact O-N 3.34Å |
| 669 | V | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -35.6 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | L656 A665 L671 V672 S673 L719 R722 Q730 F733 V734 | L656-V669 HydrophobicContact CD1-CG2 3.63Å; A665-V669 WeakPolarHBondContact O-CG2 3.42Å; A665-V669 PolarHBondContact O-N 3.29Å; A665-V669 VanDerWaalsContact O-N 3.07Å; V669-L671 VanDerWaalsContact C-N 3.34Å; V669-L671 PolarHBondContact O-N 3.41Å; V669-V672 PolarHBondContact O-N 3.29Å; V669-S673 VanDerWaalsContact O-CB 3.31Å; V669-S673 WeakPolarHBondContact O-CB 3.39Å; V669-S673 PolarHBondContact O-N 2.91Å; V669-S673 PolarHBondContact O-OG 2.68Å; V669-L719 HydrophobicContact CG1-CD2 4.2Å; V669-R722 HydrophobicContact CG2-CG 4.37Å; V669-Q730 HydrophobicContact CB-CG 4.12Å; V669-Q730 HydrophobicContact CG1-CG 4.42Å; V669-Q730 HydrophobicContact CG2-CG 3.78Å; V669-Q730 VanDerWaalsContact CG2-NE2 3.3Å; V669-F733 HydrophobicContact CB-CB 4.3Å; V669-F733 HydrophobicContact CG1-CB 3.65Å; V669-V734 HydrophobicContact CG1-CB 4.41Å; V669-V734 HydrophobicContact CG1-CG2 3.7Å |
| 670 | H | 94.1 | Very high | 86.8 | Confident | 51 Ų | 51 | 30 Ų | 30 | 24% | 0.236 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | 174.4 | -172.7 | -170.7 | 0 | 0 | 0 | 111.8 | L633 I666 A667 A668 S673 N674 F733 | L633-H670 HydrophobicContact CD1-CB 3.85Å; I666-H670 WeakPolarHBondContact O-CB 3.22Å; I666-H670 PolarHBondContact O-N 2.95Å; A667-H670 PolarHBondContact O-N 2.88Å; A668-H670 VanDerWaalsContact C-N 3.33Å; A668-H670 PolarHBondContact O-N 2.72Å; H670-S673 WeakPolarHBondContact CA-OG 3.49Å; H670-S673 PolarHBondContact O-N 2.59Å; H670-S673 PolarHBondContact O-OG 3.06Å; H670-N674 PolarHBondContact O-N 2.91Å; H670-N674 PolarHBondContact O-ND2 3.17Å; H670-F733 HydrophobicContact CB-CB 4.48Å; H670-F733 HydrophobicContact CB-CD1 3.83Å; H670-F733 HydrophobicContact CB-CD2 4Å; H670-F733 HydrophobicContact CB-CE1 3.97Å; H670-F733 HydrophobicContact CB-CE2 4.13Å; H670-F733 HydrophobicContact CB-CG 3.85Å; H670-F733 HydrophobicContact CB-CZ 4.11Å; H670-F733 AromaticContact CD2-CD1 3.4Å; H670-F733 WeakPolarHBondContact CD2-CD1 3.35Å; H670-F733 AromaticContact CD2-CE1 3.13Å; H670-F733 WeakPolarHBondContact CD2-CE1 3.48Å; H670-F733 AromaticContact CD2-CZ 3.88Å; H670-F733 AromaticContact CE1-CE1 3.73Å; H670-F733 AromaticContact CE1-CZ 3.87Å; H670-F733 AromaticContact CG-CD1 3.63Å; H670-F733 AromaticContact CG-CE1 3.34Å; H670-F733 AromaticContact CG-CZ 3.63Å; H670-F733 AromaticContact ND1-CE1 3.7Å; H670-F733 AromaticContact ND1-CZ 3.62Å; H670-F733 AromaticContact NE2-CE1 3.39Å; H670-F733 WeakPolarHBondContact NE2-CE1 3.2Å |
| 671 | L | 94.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.6 | -55.1 | 172.8 | 177.9 | 175.6 | 0 | 0 | 0 | 110 | L629 L632 L633 F643 V652 A667 A668 V669 S673 N674 V675 | L629-L671 HydrophobicContact CD1-CD1 4.09Å; L632-L671 HydrophobicContact CB-CD1 3.51Å; L632-L671 HydrophobicContact CD1-CD1 4.28Å; L633-L671 HydrophobicContact CD1-CB 4.25Å; F643-L671 HydrophobicContact CE1-CD2 4.5Å; V652-L671 HydrophobicContact CG1-CD2 3.8Å; V652-L671 HydrophobicContact CG2-CD2 4.07Å; A667-L671 WeakPolarHBondContact O-CB 3.32Å; A667-L671 PolarHBondContact O-N 3.48Å; A668-L671 WeakPolarHBondContact O-CB 3.44Å; A668-L671 PolarHBondContact O-N 3.06Å; V669-L671 VanDerWaalsContact C-N 3.34Å; V669-L671 PolarHBondContact O-N 3.41Å; L671-S673 VanDerWaalsContact C-N 3.27Å; L671-S673 PolarHBondContact O-N 3.39Å; L671-N674 WeakPolarHBondContact O-CB 3.38Å; L671-N674 PolarHBondContact O-N 3.39Å; L671-V675 HydrophobicContact CD2-CG2 4.04Å; L671-V675 PolarHBondContact O-N 3.25Å |
| 672 | V | 92.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.3 | -45.4 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V652 L656 A668 V669 N674 V675 A676 L715 L719 A737 | V652-V672 HydrophobicContact CG1-CG2 3.65Å; L656-V672 HydrophobicContact CD2-CG2 4.38Å; A668-V672 PolarHBondContact O-N 3.34Å; V669-V672 PolarHBondContact O-N 3.29Å; V672-N674 PolarHBondContact O-N 3.16Å; V672-V675 PolarHBondContact O-N 2.97Å; V672-V675 VanDerWaalsContact O-N 3.1Å; V672-A676 WeakPolarHBondContact O-CB 3.4Å; V672-A676 PolarHBondContact O-N 3.43Å; V672-L715 HydrophobicContact CG1-CD1 4.23Å; V672-L715 HydrophobicContact CG1-CD2 4.36Å; V672-L719 HydrophobicContact CG1-CD1 4.49Å; V672-A737 HydrophobicContact CG1-CB 4.08Å |
| 673 | S | 92.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -4.3 | 178.8 | 83.9 | 0 | 0 | 0 | 0 | 115.4 | V669 H670 L671 F733 R740 | V669-S673 VanDerWaalsContact O-CB 3.31Å; V669-S673 WeakPolarHBondContact O-CB 3.39Å; V669-S673 PolarHBondContact O-N 2.91Å; V669-S673 PolarHBondContact O-OG 2.68Å; H670-S673 WeakPolarHBondContact CA-OG 3.49Å; H670-S673 PolarHBondContact O-N 2.59Å; H670-S673 PolarHBondContact O-OG 3.06Å; L671-S673 VanDerWaalsContact C-N 3.27Å; L671-S673 PolarHBondContact O-N 3.39Å; S673-F733 VanDerWaalsContact CB-O 3.27Å; S673-F733 WeakPolarHBondContact CB-O 3.49Å; S673-R740 PolarHBondContact O-NE 3.1Å; S673-R740 VanDerWaalsContact O-NE 3.11Å; S673-R740 PolarHBondContact O-NH2 3.23Å |
| 674 | N | 92.5 | Very high | 80.3 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -98.4 | -36.2 | 170.7 | -68.2 | -29.6 | 0 | 0 | 0 | 113 | S636 T640 H670 L671 V672 R740 | S636-N674 PolarHBondContact OG-ND2 2.84Å; T640-N674 WeakPolarHBondContact CG2-O 3.38Å; H670-N674 PolarHBondContact O-N 2.91Å; H670-N674 PolarHBondContact O-ND2 3.17Å; L671-N674 WeakPolarHBondContact O-CB 3.38Å; L671-N674 PolarHBondContact O-N 3.39Å; V672-N674 PolarHBondContact O-N 3.16Å; N674-R740 PolarHBondContact O-NH1 3.37Å; N674-R740 VanDerWaalsContact O-NH1 3.07Å |
| 675 | V | 90.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -108.2 | -3.7 | -171.1 | -65.5 | 0 | 0 | 0 | 0 | 115 | T640 F643 L671 V672 D677 M678 F679 | T640-V675 HydrophobicContact CG2-CB 4.4Å; T640-V675 HydrophobicContact CG2-CG1 3.82Å; F643-V675 HydrophobicContact CB-CB 3.94Å; F643-V675 HydrophobicContact CB-CG1 3.71Å; F643-V675 HydrophobicContact CB-CG2 4.41Å; F643-V675 HydrophobicContact CD1-CG1 4.14Å; F643-V675 HydrophobicContact CD1-CG2 4.46Å; F643-V675 HydrophobicContact CD2-CG1 3.73Å; F643-V675 HydrophobicContact CE2-CG1 4.38Å; F643-V675 HydrophobicContact CG-CB 4.27Å; F643-V675 HydrophobicContact CG-CG1 3.59Å; L671-V675 HydrophobicContact CD2-CG2 4.04Å; L671-V675 PolarHBondContact O-N 3.25Å; V672-V675 PolarHBondContact O-N 2.97Å; V672-V675 VanDerWaalsContact O-N 3.1Å; V675-D677 PolarHBondContact O-N 3.05Å; V675-M678 WeakPolarHBondContact O-CA 3.34Å; V675-M678 VanDerWaalsContact O-CB 3.31Å; V675-M678 WeakPolarHBondContact O-CB 3.47Å; V675-M678 PolarHBondContact O-N 3.3Å; V675-F679 HydrophobicContact CB-CZ 4.47Å; V675-F679 HydrophobicContact CG2-CE1 4.12Å; V675-F679 HydrophobicContact CG2-CE2 3.78Å; V675-F679 HydrophobicContact CG2-CZ 3.53Å; V675-F679 PolarHBondContact O-N 3.1Å |
| 676 | A | 85.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -49.1 | -34.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | V672 M678 F679 N680 R740 I741 | V672-A676 WeakPolarHBondContact O-CB 3.4Å; V672-A676 PolarHBondContact O-N 3.43Å; A676-M678 VanDerWaalsContact C-N 3.32Å; A676-M678 PolarHBondContact O-N 2.71Å; A676-F679 WeakPolarHBondContact O-CB 3.38Å; A676-F679 PolarHBondContact O-N 3.01Å; A676-N680 PolarHBondContact O-N 3.26Å; A676-R740 HydrophobicContact CB-CB 3.8Å; A676-I741 HydrophobicContact CB-CD1 3.86Å; A676-I741 HydrophobicContact CB-CG1 3.68Å |
| 677 | D | 80.2 | Confident | 73.8 | Confident | 46 Ų | 46 | 36 Ų | 36 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.1 | -27.4 | 176.9 | -15 | -112.5 | 0 | 0 | 0 | 112.2 | V675 N680 N681 R740 | V675-D677 PolarHBondContact O-N 3.05Å; D677-N680 PolarHBondContact O-N 2.77Å; D677-N681 WeakPolarHBondContact O-CB 3.38Å; D677-N681 PolarHBondContact O-N 3.22Å; D677-N681 PolarHBondContact O-OD1 3.26Å; D677-R740 WeakPolarHBondContact OD1-CB 3.15Å; D677-R740 WeakPolarHBondContact OD1-CD 3.49Å; D677-R740 WeakPolarHBondContact OD1-CG 3.12Å; D677-R740 IonicContact OD1-NH1 3.39Å; D677-R740 IonicContact OD2-CZ 2.69Å; D677-R740 IonicContact OD2-NE 2.7Å; D677-R740 IonicContact OD2-NH1 3.47Å; D677-R740 PolarHBondContact OD2-NH1 3.24Å |
| 678 | M | 78.5 | Confident | 71.7 | Confident | 38 Ų | 38 | 38.7 Ų | 38.7 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.6 | -14.4 | 174.3 | -53.6 | -66 | 82.7 | 0 | 0 | 112.6 | T640 K641 V675 A676 | T640-M678 HydrophobicContact CG2-CG 4.09Å; K641-M678 HydrophobicContact CB-SD 4.16Å; K641-M678 HydrophobicContact CG-SD 3.48Å; K641-M678 WeakPolarHBondContact CG-SD 3.46Å; V675-M678 WeakPolarHBondContact O-CA 3.34Å; V675-M678 VanDerWaalsContact O-CB 3.31Å; V675-M678 WeakPolarHBondContact O-CB 3.47Å; V675-M678 PolarHBondContact O-N 3.3Å; A676-M678 VanDerWaalsContact C-N 3.32Å; A676-M678 PolarHBondContact O-N 2.71Å |
| 679 | F | 74 | Confident | 69.5 | Low | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -81.6 | -56.2 | 161.5 | -52.8 | -26.7 | 0 | 0 | 0 | 108.1 | F643 A649 V652 V675 A676 N681 F682 F712 L715 | F643-F679 HydrophobicContact CB-CE1 4.37Å; F643-F679 WeakPolarHBondContact O-CE1 3.23Å; A649-F679 HydrophobicContact CB-CD1 3.7Å; A649-F679 HydrophobicContact CB-CE1 3.72Å; A649-F679 HydrophobicContact CB-CG 4.23Å; A649-F679 HydrophobicContact CB-CZ 4.25Å; V652-F679 HydrophobicContact CB-CZ 4.27Å; V652-F679 HydrophobicContact CG1-CE2 4.27Å; V652-F679 HydrophobicContact CG1-CZ 4.15Å; V652-F679 HydrophobicContact CG2-CZ 4.5Å; V675-F679 HydrophobicContact CB-CZ 4.47Å; V675-F679 HydrophobicContact CG2-CE1 4.12Å; V675-F679 HydrophobicContact CG2-CE2 3.78Å; V675-F679 HydrophobicContact CG2-CZ 3.53Å; V675-F679 PolarHBondContact O-N 3.1Å; A676-F679 WeakPolarHBondContact O-CB 3.38Å; A676-F679 PolarHBondContact O-N 3.01Å; F679-N681 PolarHBondContact O-N 2.64Å; F679-F682 VanDerWaalsContact O-CD2 3.28Å; F679-F682 WeakPolarHBondContact O-CD2 3.13Å; F679-F712 HydrophobicContact CB-CE1 3.39Å; F679-F712 HydrophobicContact CB-CZ 3.44Å; F679-F712 VanDerWaalsContact CB-CZ 3.44Å; F679-F712 WeakPolarHBondContact O-CZ 3.41Å; F679-L715 HydrophobicContact CD2-CD2 3.94Å; F679-L715 HydrophobicContact CE2-CD2 4.4Å |
| 680 | N | 64.7 | Low | 67.3 | Low | 69 Ų | 69 | 46.6 Ų | 46.6 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.1 | -39.6 | -170.9 | -150.8 | 10.2 | 0 | 0 | 0 | 114.6 | A676 D677 F682 R740 I741 | A676-N680 PolarHBondContact O-N 3.26Å; D677-N680 PolarHBondContact O-N 2.77Å; N680-F682 VanDerWaalsContact C-N 3.35Å; N680-F682 PolarHBondContact O-N 3.42Å; N680-R740 PolarHBondContact ND2-O 2.64Å; N680-I741 PolarHBondContact ND2-O 3.15Å |
| 681 | N | 56.1 | Low | 65.1 | Low | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | trans | -83.5 | 53.3 | -168.3 | -70.6 | 30.3 | 0 | 0 | 0 | 115.3 | D677 F679 D684 | D677-N681 WeakPolarHBondContact O-CB 3.38Å; D677-N681 PolarHBondContact O-N 3.22Å; D677-N681 PolarHBondContact O-OD1 3.26Å; F679-N681 PolarHBondContact O-N 2.64Å; N681-D684 HydrophobicContact CB-CB 4.26Å; N681-D684 PolarHBondContact ND2-OD2 3.22Å; N681-D684 PolarHBondContact O-N 2.93Å | ||
| 682 | F | 53.8 | Low | 63 | Low | 30 Ų | 30 | 50.3 Ų | 50.3 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.6 | -21.5 | 177.5 | -99 | -82.4 | 0 | 0 | 0 | 115.5 | P646 F679 N680 L685 K686 I708 | P646-F682 HydrophobicContact CG-CE1 4.16Å; P646-F682 HydrophobicContact CG-CZ 3.84Å; F679-F682 VanDerWaalsContact O-CD2 3.28Å; F679-F682 WeakPolarHBondContact O-CD2 3.13Å; N680-F682 VanDerWaalsContact C-N 3.35Å; N680-F682 PolarHBondContact O-N 3.42Å; F682-L685 HydrophobicContact CD1-CB 4.02Å; F682-L685 HydrophobicContact CD1-CD1 3.72Å; F682-L685 HydrophobicContact CD1-CG 4.46Å; F682-L685 HydrophobicContact CD2-CD1 4.33Å; F682-L685 HydrophobicContact CE1-CB 4.47Å; F682-L685 HydrophobicContact CE1-CD1 3.72Å; F682-L685 HydrophobicContact CE2-CD1 4.32Å; F682-L685 HydrophobicContact CG-CD1 4.04Å; F682-L685 HydrophobicContact CZ-CD1 4.01Å; F682-L685 WeakPolarHBondContact O-CB 3.2Å; F682-L685 PolarHBondContact O-N 3.21Å; F682-L685 VanDerWaalsContact O-N 3.1Å; F682-K686 PolarHBondContact O-N 3.19Å; F682-I708 HydrophobicContact CB-CG2 4.4Å; F682-I708 HydrophobicContact CD1-CD1 3.6Å; F682-I708 HydrophobicContact CD2-CD1 3.96Å; F682-I708 HydrophobicContact CD2-CG2 3.72Å; F682-I708 HydrophobicContact CE1-CD1 3.62Å; F682-I708 HydrophobicContact CE2-CD1 3.99Å; F682-I708 HydrophobicContact CE2-CG1 4.45Å; F682-I708 HydrophobicContact CE2-CG2 4.27Å; F682-I708 HydrophobicContact CG-CD1 3.78Å; F682-I708 HydrophobicContact CG-CG2 4.11Å; F682-I708 HydrophobicContact CZ-CD1 3.83Å |
| 683 | D | 46.5 | Very low | 61 | Low | 119 Ų | 119 | 57 Ų | 57 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.2 | -33.6 | 171.1 | -77.3 | -41.9 | 0 | 0 | 0 | 112.5 | L685 K686 | D683-L685 PolarHBondContact O-N 2.84Å; D683-K686 WeakPolarHBondContact O-CB 3.44Å; D683-K686 PolarHBondContact O-N 2.73Å; D683-K686 WeakPolarHBondContact OD1-CD 3.15Å; D683-K686 WeakPolarHBondContact OD1-CE 3.37Å; D683-K686 IonicContact OD1-NZ 3.58Å; D683-K686 PolarHBondContact OD1-NZ 2.75Å |
| 684 | D | 46.7 | Very low | 59 | Low | 85 Ų | 85 | 63.5 Ų | 63.5 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -28.6 | 168.8 | -96 | -20.5 | 0 | 0 | 0 | 111.6 | N681 S687 R688 | N681-D684 HydrophobicContact CB-CB 4.26Å; N681-D684 PolarHBondContact ND2-OD2 3.22Å; N681-D684 PolarHBondContact O-N 2.93Å; D684-S687 PolarHBondContact O-N 3.19Å; D684-S687 PolarHBondContact O-OG 3.34Å; D684-R688 WeakPolarHBondContact O-CG 3.31Å; D684-R688 PolarHBondContact O-NE 3.18Å |
| 685 | L | 44.9 | Very low | 57.1 | Low | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.9 | -31.7 | 177.2 | -83.7 | 144.2 | 0 | 0 | 0 | 112.1 | F682 D683 S687 R688 L691 | F682-L685 HydrophobicContact CD1-CB 4.02Å; F682-L685 HydrophobicContact CD1-CD1 3.72Å; F682-L685 HydrophobicContact CD1-CG 4.46Å; F682-L685 HydrophobicContact CD2-CD1 4.33Å; F682-L685 HydrophobicContact CE1-CB 4.47Å; F682-L685 HydrophobicContact CE1-CD1 3.72Å; F682-L685 HydrophobicContact CE2-CD1 4.32Å; F682-L685 HydrophobicContact CG-CD1 4.04Å; F682-L685 HydrophobicContact CZ-CD1 4.01Å; F682-L685 WeakPolarHBondContact O-CB 3.2Å; F682-L685 PolarHBondContact O-N 3.21Å; F682-L685 VanDerWaalsContact O-N 3.1Å; D683-L685 PolarHBondContact O-N 2.84Å; L685-S687 PolarHBondContact O-N 2.93Å; L685-R688 PolarHBondContact O-N 3.04Å; L685-R688 VanDerWaalsContact O-N 3.13Å; L685-L691 HydrophobicContact CB-CD1 3.78Å; L685-L691 HydrophobicContact CD2-CD1 3.69Å; L685-L691 HydrophobicContact CG-CD1 4.37Å; L685-L691 WeakPolarHBondContact O-CD1 3.34Å |
| 686 | K | 43.1 | Very low | 55.4 | Low | 101 Ų | 101 | 72.4 Ų | 72.4 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -26.9 | 170.2 | -63.3 | 175.5 | 180 | 158.6 | 0 | 113.1 | F682 D683 R688 E701 | F682-K686 PolarHBondContact O-N 3.19Å; D683-K686 WeakPolarHBondContact O-CB 3.44Å; D683-K686 PolarHBondContact O-N 2.73Å; D683-K686 WeakPolarHBondContact OD1-CD 3.15Å; D683-K686 WeakPolarHBondContact OD1-CE 3.37Å; D683-K686 IonicContact OD1-NZ 3.58Å; D683-K686 PolarHBondContact OD1-NZ 2.75Å; K686-R688 VanDerWaalsContact C-N 3.29Å; K686-R688 PolarHBondContact O-N 3Å; K686-E701 WeakPolarHBondContact CE-OE1 3.2Å |
| 687 | S | 43.4 | Very low | 54.1 | Low | 89 Ų | 89 | 76.6 Ų | 76.6 | 62% | 0.622 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -9.6 | 178.4 | 79.8 | 0 | 0 | 0 | 0 | 114.6 | D684 L685 | D684-S687 PolarHBondContact O-N 3.19Å; D684-S687 PolarHBondContact O-OG 3.34Å; L685-S687 PolarHBondContact O-N 2.93Å |
| 688 | R | 46.9 | Very low | 53.2 | Low | 71 Ų | 71 | 82 Ų | 82 | 27% | 0.268 | 43% | 0.427 | S | S | . | . | trans | -95.6 | 126.6 | -167.5 | -64.6 | 172.7 | -175.9 | -134.4 | -19 | 111.2 | E553 D684 L685 K686 I690 L691 | E553-R688 IonicContact OE1-CZ 2.73Å; E553-R688 VanDerWaalsContact OE1-CZ 3.25Å; E553-R688 IonicContact OE1-NH1 2.77Å; E553-R688 PolarHBondContact OE1-NH1 3.01Å; E553-R688 IonicContact OE1-NH2 2.59Å; E553-R688 PolarHBondContact OE1-NH2 3.46Å; D684-R688 WeakPolarHBondContact O-CG 3.31Å; D684-R688 PolarHBondContact O-NE 3.18Å; L685-R688 PolarHBondContact O-N 3.04Å; L685-R688 VanDerWaalsContact O-N 3.13Å; K686-R688 VanDerWaalsContact C-N 3.29Å; K686-R688 PolarHBondContact O-N 3Å; R688-I690 PolarHBondContact O-N 3.11Å; R688-L691 PolarHBondContact O-N 3.42Å | ||
| 689 | P | 46 | Very low | 52.3 | Low | 100 Ų | 100 | 89.8 Ų | 89.8 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.6 | -20.9 | -173.6 | 24.6 | -34.7 | 0 | 0 | 0 | 114 | L691 N692 | P689-L691 VanDerWaalsContact C-N 3.31Å; P689-L691 PolarHBondContact O-N 2.9Å; P689-N692 PolarHBondContact O-N 3.37Å |
| 690 | I | 47.6 | Very low | 51.6 | Low | 70 Ų | 70 | 91.1 Ų | 91.1 | 36% | 0.359 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.5 | -17.7 | -175.9 | -60.5 | 169.9 | 0 | 0 | 0 | 112.8 | R596 R688 | R596-I690 VanDerWaalsContact NH2-CG2 3.31Å; R688-I690 PolarHBondContact O-N 3.11Å |
| 691 | L | 46.4 | Very low | 51.2 | Low | 38 Ų | 38 | 91.4 Ų | 91.4 | 20% | 0.199 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -92.4 | -22.5 | 176.1 | -78.2 | 169 | 0 | 0 | 0 | 113.8 | L685 R688 P689 D693 L694 Y695 | L685-L691 HydrophobicContact CB-CD1 3.78Å; L685-L691 HydrophobicContact CD2-CD1 3.69Å; L685-L691 HydrophobicContact CG-CD1 4.37Å; L685-L691 WeakPolarHBondContact O-CD1 3.34Å; R688-L691 PolarHBondContact O-N 3.42Å; P689-L691 VanDerWaalsContact C-N 3.31Å; P689-L691 PolarHBondContact O-N 2.9Å; L691-D693 PolarHBondContact O-N 3.11Å; L691-D693 VanDerWaalsContact O-N 3.17Å; L691-L694 PolarHBondContact O-N 3.19Å; L691-Y695 HydrophobicContact CB-CD2 4.27Å; L691-Y695 HydrophobicContact CB-CE2 4.34Å; L691-Y695 HydrophobicContact CD2-CD2 4.43Å; L691-Y695 HydrophobicContact CD2-CE2 3.84Å; L691-Y695 VanDerWaalsContact O-CD2 3.24Å; L691-Y695 WeakPolarHBondContact O-CD2 3.26Å; L691-Y695 PolarHBondContact O-N 3.17Å |
| 692 | N | 49.8 | Very low | 51.6 | Low | 94 Ų | 94 | 94.3 Ų | 94.3 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.7 | -32.8 | -176.6 | -70.3 | -6.8 | 0 | 0 | 0 | 113.3 | P689 L694 Y695 N696 | P689-N692 PolarHBondContact O-N 3.37Å; N692-L694 PolarHBondContact O-N 2.96Å; N692-Y695 PolarHBondContact O-N 3.36Å; N692-N696 PolarHBondContact O-ND2 3.29Å; N692-N696 VanDerWaalsContact O-ND2 3.08Å |
| 693 | D | 51.2 | Low | 52.1 | Low | 143 Ų | 143 | 98 Ų | 98 | 77% | 0.765 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.9 | 177 | -72.2 | -22.6 | 0 | 0 | 0 | 113.3 | L691 N696 | L691-D693 PolarHBondContact O-N 3.11Å; L691-D693 VanDerWaalsContact O-N 3.17Å; D693-N696 PolarHBondContact O-ND2 3.47Å |
| 694 | L | 50 | Low | 52.9 | Low | 136 Ų | 136 | 94.5 Ų | 94.5 | 71% | 0.712 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -17.2 | 175 | -76.8 | 166.8 | 0 | 0 | 0 | 113.3 | L691 N692 | L691-L694 PolarHBondContact O-N 3.19Å; N692-L694 PolarHBondContact O-N 2.96Å |
| 695 | Y | 53 | Low | 53.7 | Low | 61 Ų | 61 | 92.2 Ų | 92.2 | 24% | 0.239 | 47% | 0.473 | C | S | . | . | trans | -109.4 | 41.4 | -166.8 | -81.4 | -118.7 | 0 | 0 | 0 | 113 | L691 N692 D697 E701 I704 | L691-Y695 HydrophobicContact CB-CD2 4.27Å; L691-Y695 HydrophobicContact CB-CE2 4.34Å; L691-Y695 HydrophobicContact CD2-CD2 4.43Å; L691-Y695 HydrophobicContact CD2-CE2 3.84Å; L691-Y695 VanDerWaalsContact O-CD2 3.24Å; L691-Y695 WeakPolarHBondContact O-CD2 3.26Å; L691-Y695 PolarHBondContact O-N 3.17Å; N692-Y695 PolarHBondContact O-N 3.36Å; Y695-D697 VanDerWaalsContact C-N 3.26Å; Y695-D697 PolarHBondContact O-N 3.38Å; Y695-E701 HydrophobicContact CD1-CB 3.98Å; Y695-E701 HydrophobicContact CD1-CG 4.05Å; Y695-E701 HydrophobicContact CE1-CB 4.31Å; Y695-E701 HydrophobicContact CE1-CG 4.16Å; Y695-I704 HydrophobicContact CE1-CD1 4.23Å; Y695-I704 HydrophobicContact CE2-CD1 4.21Å; Y695-I704 WeakPolarHBondContact OH-CG2 3.27Å | ||
| 696 | N | 55 | Low | 54.8 | Low | 140 Ų | 140 | 94.7 Ų | 94.7 | 75% | 0.749 | 49% | 0.491 | S | S | * | . | trans | -86.3 | 20 | 177.6 | -73.7 | -77.7 | 0 | 0 | 0 | 114.2 | N692 D693 | N692-N696 PolarHBondContact O-ND2 3.29Å; N692-N696 VanDerWaalsContact O-ND2 3.08Å; D693-N696 PolarHBondContact O-ND2 3.47Å | ||
| 697 | D | 59.2 | Low | 55.9 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | trans | -144.4 | 116.6 | 174.4 | -176.7 | -7.8 | 0 | 0 | 0 | 110 | Y695 R699 A700 E701 | Y695-D697 VanDerWaalsContact C-N 3.26Å; Y695-D697 PolarHBondContact O-N 3.38Å; D697-R699 PolarHBondContact O-N 3.36Å; D697-R699 VanDerWaalsContact O-N 3.11Å; D697-R699 VanDerWaalsContact OD1-CB 3.3Å; D697-R699 WeakPolarHBondContact OD1-CB 3.37Å; D697-R699 PolarHBondContact OD1-N 3.39Å; D697-A700 HydrophobicContact CB-CB 4.23Å; D697-A700 WeakPolarHBondContact O-CB 3.44Å; D697-A700 PolarHBondContact O-N 3.18Å; D697-E701 PolarHBondContact O-N 2.78Å | ||
| 698 | E | 60.6 | Low | 56.8 | Low | 160 Ų | 160 | 90.6 Ų | 90.6 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.8 | -28.4 | 177.4 | -61.5 | 178.1 | 144.9 | 0 | 0 | 112.5 | E701 L702 | E698-E701 PolarHBondContact O-N 3.44Å; E698-L702 PolarHBondContact O-N 3.33Å; E698-L702 VanDerWaalsContact O-N 3.07Å |
| 699 | R | 60.1 | Low | 57.9 | Low | 201 Ų | 201 | 92.5 Ų | 92.5 | 76% | 0.758 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.5 | -32.3 | 176.6 | -64.3 | 178.9 | 167.7 | -176.2 | -2.6 | 112.4 | D697 L703 | D697-R699 PolarHBondContact O-N 3.36Å; D697-R699 VanDerWaalsContact O-N 3.11Å; D697-R699 VanDerWaalsContact OD1-CB 3.3Å; D697-R699 WeakPolarHBondContact OD1-CB 3.37Å; D697-R699 PolarHBondContact OD1-N 3.39Å; R699-L703 WeakPolarHBondContact O-CB 3.39Å; R699-L703 PolarHBondContact O-N 3.44Å; R699-L703 VanDerWaalsContact O-N 3.13Å |
| 700 | A | 58.6 | Low | 59.1 | Low | 33 Ų | 33 | 97.2 Ų | 97.2 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | D697 L703 I704 | D697-A700 HydrophobicContact CB-CB 4.23Å; D697-A700 WeakPolarHBondContact O-CB 3.44Å; D697-A700 PolarHBondContact O-N 3.18Å; A700-L703 PolarHBondContact O-N 2.79Å; A700-I704 WeakPolarHBondContact O-CB 3.25Å; A700-I704 WeakPolarHBondContact O-CD1 3.32Å; A700-I704 WeakPolarHBondContact O-CG1 3.41Å; A700-I704 PolarHBondContact O-N 3.03Å |
| 701 | E | 56.5 | Low | 60 | Low | 75 Ų | 75 | 94.7 Ų | 94.7 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -53.9 | 176.3 | -172.9 | -178.3 | 177.4 | 0 | 0 | 112 | K686 Y695 D697 E698 L703 I704 S705 | K686-E701 WeakPolarHBondContact CE-OE1 3.2Å; Y695-E701 HydrophobicContact CD1-CB 3.98Å; Y695-E701 HydrophobicContact CD1-CG 4.05Å; Y695-E701 HydrophobicContact CE1-CB 4.31Å; Y695-E701 HydrophobicContact CE1-CG 4.16Å; D697-E701 PolarHBondContact O-N 2.78Å; E698-E701 PolarHBondContact O-N 3.44Å; E701-L703 VanDerWaalsContact C-N 3.31Å; E701-L703 PolarHBondContact O-N 3.29Å; E701-I704 PolarHBondContact O-N 2.98Å; E701-S705 PolarHBondContact O-N 3.48Å |
| 702 | L | 64.9 | Low | 61.4 | Low | 126 Ų | 126 | 94.3 Ų | 94.3 | 66% | 0.66 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.4 | -40.3 | 178.8 | -76.2 | 168.8 | 0 | 0 | 0 | 112.6 | E698 S706 | E698-L702 PolarHBondContact O-N 3.33Å; E698-L702 VanDerWaalsContact O-N 3.07Å; L702-S706 WeakPolarHBondContact O-CB 3.27Å; L702-S706 PolarHBondContact O-N 3.5Å |
| 703 | L | 63.9 | Low | 62.8 | Low | 109 Ų | 109 | 92.9 Ų | 92.9 | 57% | 0.571 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.2 | -34.2 | -179.3 | -170.6 | 142.1 | 0 | 0 | 0 | 111.8 | R699 A700 E701 I707 | R699-L703 WeakPolarHBondContact O-CB 3.39Å; R699-L703 PolarHBondContact O-N 3.44Å; R699-L703 VanDerWaalsContact O-N 3.13Å; A700-L703 PolarHBondContact O-N 2.79Å; E701-L703 VanDerWaalsContact C-N 3.31Å; E701-L703 PolarHBondContact O-N 3.29Å; L703-I707 HydrophobicContact CD2-CD1 3.66Å; L703-I707 WeakPolarHBondContact O-CD1 3.33Å; L703-I707 VanDerWaalsContact O-CG1 3.27Å; L703-I707 WeakPolarHBondContact O-CG1 3.47Å; L703-I707 PolarHBondContact O-N 3.11Å; L703-I707 VanDerWaalsContact O-N 3.12Å |
| 704 | I | 62.3 | Low | 64.4 | Low | 45 Ų | 45 | 87.6 Ų | 87.6 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70.4 | -44.9 | 173.2 | -68 | 164.2 | 0 | 0 | 0 | 110.7 | Y695 A700 E701 S706 I707 I708 | Y695-I704 HydrophobicContact CE1-CD1 4.23Å; Y695-I704 HydrophobicContact CE2-CD1 4.21Å; Y695-I704 WeakPolarHBondContact OH-CG2 3.27Å; A700-I704 WeakPolarHBondContact O-CB 3.25Å; A700-I704 WeakPolarHBondContact O-CD1 3.32Å; A700-I704 WeakPolarHBondContact O-CG1 3.41Å; A700-I704 PolarHBondContact O-N 3.03Å; E701-I704 PolarHBondContact O-N 2.98Å; I704-S706 VanDerWaalsContact C-N 3.32Å; I704-S706 PolarHBondContact O-N 2.93Å; I704-I707 PolarHBondContact O-N 3.03Å; I704-I708 HydrophobicContact CG2-CD1 3.46Å; I704-I708 VanDerWaalsContact CG2-CD1 3.46Å; I704-I708 HydrophobicContact CG2-CG1 4.25Å; I704-I708 WeakPolarHBondContact O-CB 3.27Å; I704-I708 WeakPolarHBondContact O-CD1 3.44Å; I704-I708 VanDerWaalsContact O-CG1 3.23Å; I704-I708 WeakPolarHBondContact O-CG1 3.32Å; I704-I708 PolarHBondContact O-N 3.3Å |
| 705 | S | 64.4 | Low | 66 | Low | 37 Ų | 37 | 81.5 Ų | 81.5 | 26% | 0.259 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.8 | -46.8 | 174.5 | -161.5 | 0 | 0 | 0 | 0 | 111.3 | E701 I707 I708 E709 | E701-S705 PolarHBondContact O-N 3.48Å; S705-I707 PolarHBondContact O-N 2.98Å; S705-I708 PolarHBondContact O-N 3.31Å; S705-I708 VanDerWaalsContact O-N 3.13Å; S705-E709 WeakPolarHBondContact O-CG 3.27Å; S705-E709 PolarHBondContact O-N 2.95Å; S705-E709 PolarHBondContact OG-OE1 2.54Å |
| 706 | S | 68.2 | Low | 67.6 | Low | 71 Ų | 71 | 81 Ų | 81 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 113.8 | L702 I704 R710 | L702-S706 WeakPolarHBondContact O-CB 3.27Å; L702-S706 PolarHBondContact O-N 3.5Å; I704-S706 VanDerWaalsContact C-N 3.32Å; I704-S706 PolarHBondContact O-N 2.93Å; S706-R710 VanDerWaalsContact O-CB 3.29Å; S706-R710 WeakPolarHBondContact O-CB 3.47Å; S706-R710 PolarHBondContact O-N 3.19Å |
| 707 | I | 65.1 | Low | 69.2 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 46% | 0.456 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 173.4 | -73.1 | 167.3 | 0 | 0 | 0 | 110.6 | L703 I704 S705 R710 A711 | L703-I707 HydrophobicContact CD2-CD1 3.66Å; L703-I707 WeakPolarHBondContact O-CD1 3.33Å; L703-I707 VanDerWaalsContact O-CG1 3.27Å; L703-I707 WeakPolarHBondContact O-CG1 3.47Å; L703-I707 PolarHBondContact O-N 3.11Å; L703-I707 VanDerWaalsContact O-N 3.12Å; I704-I707 PolarHBondContact O-N 3.03Å; S705-I707 PolarHBondContact O-N 2.98Å; I707-R710 PolarHBondContact O-N 2.94Å; I707-A711 PolarHBondContact O-N 2.73Å |
| 708 | I | 63.9 | Low | 70.6 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.9 | -49.4 | -177.7 | -71.9 | 169.6 | 0 | 0 | 0 | 111.1 | P646 F682 I704 S705 R710 A711 F712 | P646-I708 HydrophobicContact CB-CG1 4.34Å; P646-I708 HydrophobicContact CG-CD1 4.07Å; P646-I708 HydrophobicContact CG-CG1 4.38Å; F682-I708 HydrophobicContact CB-CG2 4.4Å; F682-I708 HydrophobicContact CD1-CD1 3.6Å; F682-I708 HydrophobicContact CD2-CD1 3.96Å; F682-I708 HydrophobicContact CD2-CG2 3.72Å; F682-I708 HydrophobicContact CE1-CD1 3.62Å; F682-I708 HydrophobicContact CE2-CD1 3.99Å; F682-I708 HydrophobicContact CE2-CG1 4.45Å; F682-I708 HydrophobicContact CE2-CG2 4.27Å; F682-I708 HydrophobicContact CG-CD1 3.78Å; F682-I708 HydrophobicContact CG-CG2 4.11Å; F682-I708 HydrophobicContact CZ-CD1 3.83Å; I704-I708 HydrophobicContact CG2-CD1 3.46Å; I704-I708 VanDerWaalsContact CG2-CD1 3.46Å; I704-I708 HydrophobicContact CG2-CG1 4.25Å; I704-I708 WeakPolarHBondContact O-CB 3.27Å; I704-I708 WeakPolarHBondContact O-CD1 3.44Å; I704-I708 VanDerWaalsContact O-CG1 3.23Å; I704-I708 WeakPolarHBondContact O-CG1 3.32Å; I704-I708 PolarHBondContact O-N 3.3Å; S705-I708 PolarHBondContact O-N 3.31Å; S705-I708 VanDerWaalsContact O-N 3.13Å; I708-R710 VanDerWaalsContact C-N 3.26Å; I708-R710 PolarHBondContact O-N 2.94Å; I708-A711 WeakPolarHBondContact O-CB 3.32Å; I708-A711 PolarHBondContact O-N 2.78Å; I708-A711 VanDerWaalsContact O-N 3.11Å; I708-F712 HydrophobicContact CG2-CD2 3.97Å; I708-F712 HydrophobicContact CG2-CE2 3.42Å; I708-F712 VanDerWaalsContact CG2-CE2 3.42Å; I708-F712 HydrophobicContact CG2-CZ 4.44Å; I708-F712 WeakPolarHBondContact O-CD2 3.42Å; I708-F712 PolarHBondContact O-N 2.97Å |
| 709 | E | 68.9 | Low | 72 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.7 | -42.2 | 173 | -72.9 | 160.6 | -140.8 | 0 | 0 | 111.7 | S705 F712 S713 | S705-E709 WeakPolarHBondContact O-CG 3.27Å; S705-E709 PolarHBondContact O-N 2.95Å; S705-E709 PolarHBondContact OG-OE1 2.54Å; E709-F712 WeakPolarHBondContact O-CB 3.33Å; E709-F712 PolarHBondContact O-N 2.93Å; E709-S713 PolarHBondContact O-N 3.04Å; E709-S713 PolarHBondContact O-OG 2.94Å |
| 710 | R | 71.2 | Confident | 73.4 | Confident | 200 Ų | 200 | 62.1 Ų | 62.1 | 76% | 0.755 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.2 | -37.8 | 177.6 | -173.5 | 175.2 | -174.5 | 145.4 | 5.9 | 112.8 | S706 I707 I708 F712 S714 | S706-R710 VanDerWaalsContact O-CB 3.29Å; S706-R710 WeakPolarHBondContact O-CB 3.47Å; S706-R710 PolarHBondContact O-N 3.19Å; I707-R710 PolarHBondContact O-N 2.94Å; I708-R710 VanDerWaalsContact C-N 3.26Å; I708-R710 PolarHBondContact O-N 2.94Å; R710-F712 VanDerWaalsContact C-N 3.31Å; R710-S714 WeakPolarHBondContact O-CB 3.19Å; R710-S714 PolarHBondContact O-N 2.71Å; R710-S714 VanDerWaalsContact O-N 3.11Å |
| 711 | A | 67.7 | Low | 74.9 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 13% | 0.132 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -35.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I707 I708 L715 | I707-A711 PolarHBondContact O-N 2.73Å; I708-A711 WeakPolarHBondContact O-CB 3.32Å; I708-A711 PolarHBondContact O-N 2.78Å; I708-A711 VanDerWaalsContact O-N 3.11Å; A711-L715 VanDerWaalsContact O-CB 3.24Å; A711-L715 WeakPolarHBondContact O-CB 3.18Å; A711-L715 PolarHBondContact O-N 3.32Å |
| 712 | F | 74.3 | Confident | 76.4 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -49.7 | 172.4 | -78.1 | -57.4 | 0 | 0 | 0 | 113.8 | F679 I708 E709 R710 S714 L715 K716 I741 | F679-F712 HydrophobicContact CB-CE1 3.39Å; F679-F712 HydrophobicContact CB-CZ 3.44Å; F679-F712 VanDerWaalsContact CB-CZ 3.44Å; F679-F712 WeakPolarHBondContact O-CZ 3.41Å; I708-F712 HydrophobicContact CG2-CD2 3.97Å; I708-F712 HydrophobicContact CG2-CE2 3.42Å; I708-F712 VanDerWaalsContact CG2-CE2 3.42Å; I708-F712 HydrophobicContact CG2-CZ 4.44Å; I708-F712 WeakPolarHBondContact O-CD2 3.42Å; I708-F712 PolarHBondContact O-N 2.97Å; E709-F712 WeakPolarHBondContact O-CB 3.33Å; E709-F712 PolarHBondContact O-N 2.93Å; R710-F712 VanDerWaalsContact C-N 3.31Å; F712-S714 VanDerWaalsContact C-N 3.27Å; F712-S714 PolarHBondContact O-N 3.11Å; F712-L715 PolarHBondContact O-N 3.1Å; F712-L715 VanDerWaalsContact O-N 3.15Å; F712-K716 PolarHBondContact O-N 2.97Å; F712-I741 HydrophobicContact CD1-CG2 4.07Å |
| 713 | S | 80.2 | Confident | 77.5 | Confident | 65 Ų | 65 | 59 Ų | 59 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56 | -47.2 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | E709 L715 K716 E717 | E709-S713 PolarHBondContact O-N 3.04Å; E709-S713 PolarHBondContact O-OG 2.94Å; S713-L715 PolarHBondContact O-N 3.19Å; S713-K716 PolarHBondContact O-N 3.09Å; S713-E717 WeakPolarHBondContact O-CB 3.32Å; S713-E717 VanDerWaalsContact O-CG 3.28Å; S713-E717 WeakPolarHBondContact O-CG 3.47Å; S713-E717 PolarHBondContact O-N 3.48Å |
| 714 | S | 83.5 | Confident | 78.6 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.2 | -29.4 | 179.3 | -162.8 | 0 | 0 | 0 | 0 | 113.7 | Q657 R710 F712 E718 | Q657-S714 PolarHBondContact NE2-OG 3.42Å; Q657-S714 VanDerWaalsContact NE2-OG 3.16Å; R710-S714 WeakPolarHBondContact O-CB 3.19Å; R710-S714 PolarHBondContact O-N 2.71Å; R710-S714 VanDerWaalsContact O-N 3.11Å; F712-S714 VanDerWaalsContact C-N 3.27Å; F712-S714 PolarHBondContact O-N 3.11Å; S714-E718 WeakPolarHBondContact O-CB 3.25Å; S714-E718 PolarHBondContact O-N 2.96Å |
| 715 | L | 85.1 | Confident | 79.7 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 171.6 | -178.6 | 61.6 | 0 | 0 | 0 | 112.2 | L653 L656 V672 F679 A711 F712 S713 L719 I741 | L653-L715 HydrophobicContact CD1-CB 4.17Å; L653-L715 HydrophobicContact CD1-CD1 4.07Å; L656-L715 HydrophobicContact CD2-CD1 3.87Å; V672-L715 HydrophobicContact CG1-CD1 4.23Å; V672-L715 HydrophobicContact CG1-CD2 4.36Å; F679-L715 HydrophobicContact CD2-CD2 3.94Å; F679-L715 HydrophobicContact CE2-CD2 4.4Å; A711-L715 VanDerWaalsContact O-CB 3.24Å; A711-L715 WeakPolarHBondContact O-CB 3.18Å; A711-L715 PolarHBondContact O-N 3.32Å; F712-L715 PolarHBondContact O-N 3.1Å; F712-L715 VanDerWaalsContact O-N 3.15Å; S713-L715 PolarHBondContact O-N 3.19Å; L715-L719 HydrophobicContact CD1-CD1 4.35Å; L715-L719 HydrophobicContact CD1-CG 4.39Å; L715-L719 HydrophobicContact CG-CD1 4.15Å; L715-L719 WeakPolarHBondContact O-CB 3.37Å; L715-L719 VanDerWaalsContact O-CG 3.22Å; L715-L719 WeakPolarHBondContact O-CG 3.47Å; L715-L719 PolarHBondContact O-N 2.84Å; L715-I741 HydrophobicContact CD2-CD1 3.95Å; L715-I741 HydrophobicContact CG-CD1 4.42Å |
| 716 | K | 86.3 | Confident | 80.7 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 172 | -75.6 | -170.6 | 176.6 | -170.8 | 0 | 110.4 | F712 S713 E718 L719 E720 I741 E746 | F712-K716 PolarHBondContact O-N 2.97Å; S713-K716 PolarHBondContact O-N 3.09Å; K716-E718 VanDerWaalsContact C-N 3.34Å; K716-E718 PolarHBondContact O-N 3.42Å; K716-L719 PolarHBondContact O-N 2.94Å; K716-L719 VanDerWaalsContact O-N 3.16Å; K716-E720 WeakPolarHBondContact O-CG 3.4Å; K716-E720 PolarHBondContact O-N 3.42Å; K716-I741 HydrophobicContact CG-CG2 4.18Å; K716-E746 WeakPolarHBondContact CE-OE1 3.41Å; K716-E746 IonicContact NZ-OE1 3.61Å; K716-E746 PolarHBondContact NZ-OE1 3.46Å; K716-E746 IonicContact NZ-OE2 2.71Å; K716-E746 PolarHBondContact NZ-OE2 3.04Å |
| 717 | E | 88.2 | Confident | 81.6 | Confident | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.2 | -45.5 | 175.6 | -73.6 | 167.5 | -176.9 | 0 | 0 | 112.5 | S713 E720 Q721 | S713-E717 WeakPolarHBondContact O-CB 3.32Å; S713-E717 VanDerWaalsContact O-CG 3.28Å; S713-E717 WeakPolarHBondContact O-CG 3.47Å; S713-E717 PolarHBondContact O-N 3.48Å; E717-E720 PolarHBondContact O-N 2.83Å; E717-Q721 WeakPolarHBondContact O-CG 3.34Å; E717-Q721 PolarHBondContact O-N 3.49Å |
| 718 | E | 88.6 | Confident | 82.5 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 9% | 0.089 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 177.2 | 179.2 | 59.3 | -146.6 | 0 | 0 | 111.4 | L653 L656 Q657 S714 K716 E720 Q721 R722 | L653-E718 HydrophobicContact CD1-CB 4.43Å; L656-E718 HydrophobicContact CB-CG 4.35Å; L656-E718 HydrophobicContact CD2-CB 4.41Å; L656-E718 HydrophobicContact CD2-CG 3.53Å; L656-E718 HydrophobicContact CG-CG 3.59Å; Q657-E718 HydrophobicContact CG-CG 4.42Å; S714-E718 WeakPolarHBondContact O-CB 3.25Å; S714-E718 PolarHBondContact O-N 2.96Å; K716-E718 VanDerWaalsContact C-N 3.34Å; K716-E718 PolarHBondContact O-N 3.42Å; E718-E720 VanDerWaalsContact C-N 3.31Å; E718-E720 PolarHBondContact O-N 3.37Å; E718-Q721 PolarHBondContact O-N 2.92Å; E718-R722 WeakPolarHBondContact O-CG 3.43Å; E718-R722 PolarHBondContact O-N 3.15Å; E718-R722 IonicContact OE1-CZ 2.85Å; E718-R722 IonicContact OE1-NE 2.82Å; E718-R722 PolarHBondContact OE1-NE 3.01Å; E718-R722 IonicContact OE1-NH2 2.7Å; E718-R722 PolarHBondContact OE1-NH2 3.05Å |
| 719 | L | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 175.5 | -74.5 | 170.1 | 0 | 0 | 0 | 112.6 | V669 V672 L715 K716 R722 L723 V734 A737 F738 I741 | V669-L719 HydrophobicContact CG1-CD2 4.2Å; V672-L719 HydrophobicContact CG1-CD1 4.49Å; L715-L719 HydrophobicContact CD1-CD1 4.35Å; L715-L719 HydrophobicContact CD1-CG 4.39Å; L715-L719 HydrophobicContact CG-CD1 4.15Å; L715-L719 WeakPolarHBondContact O-CB 3.37Å; L715-L719 VanDerWaalsContact O-CG 3.22Å; L715-L719 WeakPolarHBondContact O-CG 3.47Å; L715-L719 PolarHBondContact O-N 2.84Å; K716-L719 PolarHBondContact O-N 2.94Å; K716-L719 VanDerWaalsContact O-N 3.16Å; L719-R722 CarbonylContact O-C 3.59Å; L719-R722 PolarHBondContact O-N 2.65Å; L719-L723 PolarHBondContact O-N 3.39Å; L719-V734 HydrophobicContact CB-CG1 4.27Å; L719-V734 HydrophobicContact CD2-CG1 4.34Å; L719-V734 HydrophobicContact CD2-CG2 4.3Å; L719-V734 VanDerWaalsContact O-CG1 3.3Å; L719-V734 WeakPolarHBondContact O-CG1 3.46Å; L719-A737 HydrophobicContact CD1-CB 3.68Å; L719-A737 HydrophobicContact CD2-CB 4.02Å; L719-F738 HydrophobicContact CB-CD1 4.44Å; L719-F738 HydrophobicContact CB-CE1 3.62Å; L719-F738 HydrophobicContact CB-CE2 4.48Å; L719-F738 HydrophobicContact CB-CZ 3.65Å; L719-F738 HydrophobicContact CD1-CD1 4.47Å; L719-F738 HydrophobicContact CD1-CE1 4.34Å; L719-I741 HydrophobicContact CD1-CD1 3.87Å |
| 720 | E | 90.2 | Very high | 84.6 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 172.6 | -73 | -175.4 | 162.2 | 0 | 0 | 111.5 | K716 E717 E718 R722 L723 L724 F738 K750 | K716-E720 WeakPolarHBondContact O-CG 3.4Å; K716-E720 PolarHBondContact O-N 3.42Å; E717-E720 PolarHBondContact O-N 2.83Å; E718-E720 VanDerWaalsContact C-N 3.31Å; E718-E720 PolarHBondContact O-N 3.37Å; E720-R722 VanDerWaalsContact C-N 3.29Å; E720-R722 PolarHBondContact O-N 3.25Å; E720-L723 WeakPolarHBondContact O-CA 3.39Å; E720-L723 VanDerWaalsContact O-CB 3.28Å; E720-L723 WeakPolarHBondContact O-CB 3.24Å; E720-L723 PolarHBondContact O-N 3Å; E720-L724 WeakPolarHBondContact O-CG 3.49Å; E720-L724 PolarHBondContact O-N 2.87Å; E720-F738 HydrophobicContact CG-CE1 4.29Å; E720-F738 HydrophobicContact CG-CZ 3.75Å; E720-K750 WeakPolarHBondContact OE1-CE 3.43Å; E720-K750 IonicContact OE1-NZ 2.69Å; E720-K750 PolarHBondContact OE1-NZ 3.19Å |
| 721 | Q | 89.5 | Confident | 85.5 | Confident | 123 Ų | 123 | 42.8 Ų | 42.8 | 58% | 0.575 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.5 | -37.3 | 172.9 | -72.3 | -178.1 | 65.1 | 0 | 0 | 112.1 | E717 E718 L723 L724 A725 | E717-Q721 WeakPolarHBondContact O-CG 3.34Å; E717-Q721 PolarHBondContact O-N 3.49Å; E718-Q721 PolarHBondContact O-N 2.92Å; Q721-L723 VanDerWaalsContact C-N 3.3Å; Q721-L723 PolarHBondContact O-N 3.19Å; Q721-L724 PolarHBondContact O-N 3.11Å; Q721-A725 WeakPolarHBondContact O-CB 3.34Å; Q721-A725 PolarHBondContact O-N 3.17Å |
| 722 | R | 88.8 | Confident | 86.6 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72 | -18.8 | 172.6 | -61.5 | -46.5 | -176.7 | 137.4 | 2.8 | 114 | L656 V669 E718 L719 E720 V734 | L656-R722 PolarHBondContact O-NH2 3.46Å; V669-R722 HydrophobicContact CG2-CG 4.37Å; E718-R722 WeakPolarHBondContact O-CG 3.43Å; E718-R722 PolarHBondContact O-N 3.15Å; E718-R722 IonicContact OE1-CZ 2.85Å; E718-R722 IonicContact OE1-NE 2.82Å; E718-R722 PolarHBondContact OE1-NE 3.01Å; E718-R722 IonicContact OE1-NH2 2.7Å; E718-R722 PolarHBondContact OE1-NH2 3.05Å; L719-R722 CarbonylContact O-C 3.59Å; L719-R722 PolarHBondContact O-N 2.65Å; E720-R722 VanDerWaalsContact C-N 3.29Å; E720-R722 PolarHBondContact O-N 3.25Å; R722-V734 HydrophobicContact CB-CG2 3.81Å |
| 723 | L | 87.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.2 | -50.1 | 170.1 | -158.8 | 76 | 0 | 0 | 0 | 110.5 | L719 E720 Q721 A725 H726 T731 V734 V735 F738 L754 | L719-L723 PolarHBondContact O-N 3.39Å; E720-L723 WeakPolarHBondContact O-CA 3.39Å; E720-L723 VanDerWaalsContact O-CB 3.28Å; E720-L723 WeakPolarHBondContact O-CB 3.24Å; E720-L723 PolarHBondContact O-N 3Å; Q721-L723 VanDerWaalsContact C-N 3.3Å; Q721-L723 PolarHBondContact O-N 3.19Å; L723-A725 PolarHBondContact O-N 3.11Å; L723-H726 PolarHBondContact O-N 3.16Å; L723-H726 PolarHBondContact O-ND1 3.12Å; L723-T731 HydrophobicContact CD1-CG2 3.89Å; L723-V734 HydrophobicContact CB-CG1 4.18Å; L723-V734 HydrophobicContact CD1-CB 4.18Å; L723-V734 HydrophobicContact CD1-CG1 3.67Å; L723-V735 HydrophobicContact CD1-CG2 4.36Å; L723-F738 HydrophobicContact CD1-CE2 4.39Å; L723-F738 HydrophobicContact CD2-CE2 4.27Å; L723-L754 HydrophobicContact CD1-CD1 4.21Å; L723-L754 HydrophobicContact CD1-CD2 4.16Å; L723-L754 HydrophobicContact CD2-CD1 4.46Å; L723-L754 HydrophobicContact CD2-CD2 4.1Å; L723-L754 HydrophobicContact CD2-CG 4.24Å; L723-L754 HydrophobicContact CG-CD2 4.12Å |
| 724 | L | 86.7 | Confident | 88.2 | Confident | 97 Ų | 97 | 40.3 Ų | 40.3 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.5 | -18 | 178.1 | -64.2 | 171.3 | 0 | 0 | 0 | 113.5 | E720 Q721 H726 | E720-L724 WeakPolarHBondContact O-CG 3.49Å; E720-L724 PolarHBondContact O-N 2.87Å; Q721-L724 PolarHBondContact O-N 3.11Å; L724-H726 PolarHBondContact O-CD2 2.89Å; L724-H726 PolarHBondContact O-N 2.97Å; L724-H726 PolarHBondContact O-NE2 3.37Å |
| 725 | A | 85.2 | Confident | 88.6 | Confident | 54 Ų | 54 | 39 Ų | 39 | 45% | 0.446 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q721 L723 V727 | Q721-A725 WeakPolarHBondContact O-CB 3.34Å; Q721-A725 PolarHBondContact O-N 3.17Å; L723-A725 PolarHBondContact O-N 3.11Å; A725-V727 VanDerWaalsContact C-N 3.29Å; A725-V727 HydrophobicContact CB-CG2 4.49Å; A725-V727 PolarHBondContact O-N 3.41Å; A725-V727 VanDerWaalsContact O-N 3.13Å |
| 726 | H | 84.8 | Confident | 88.9 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 27% | 0.269 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 41.5 | 175.5 | -54.4 | -59.5 | 0 | 0 | 0 | 114.8 | L723 L724 E757 S767 | L723-H726 PolarHBondContact O-N 3.16Å; L723-H726 PolarHBondContact O-ND1 3.12Å; L724-H726 PolarHBondContact O-CD2 2.89Å; L724-H726 PolarHBondContact O-N 2.97Å; L724-H726 PolarHBondContact O-NE2 3.37Å; H726-E757 IonicContact CE1-OE2 3.39Å; H726-S767 PolarHBondContact O-OG 2.67Å |
| 727 | V | 87.8 | Confident | 89.1 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | trans | -91.9 | 111.3 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | E662 A725 K729 Q730 T731 | E662-V727 HydrophobicContact CG-CG1 4.13Å; A725-V727 VanDerWaalsContact C-N 3.29Å; A725-V727 HydrophobicContact CB-CG2 4.49Å; A725-V727 PolarHBondContact O-N 3.41Å; A725-V727 VanDerWaalsContact O-N 3.13Å; V727-K729 VanDerWaalsContact C-N 3.33Å; V727-K729 PolarHBondContact O-N 3.29Å; V727-K729 VanDerWaalsContact O-N 3.1Å; V727-Q730 HydrophobicContact CB-CB 3.91Å; V727-Q730 HydrophobicContact CG1-CB 3.95Å; V727-Q730 WeakPolarHBondContact O-CA 3.29Å; V727-Q730 WeakPolarHBondContact O-CB 3.32Å; V727-Q730 PolarHBondContact O-N 2.84Å; V727-T731 PolarHBondContact O-N 3.48Å; V727-T731 PolarHBondContact O-OG1 3.06Å; V727-T731 VanDerWaalsContact O-OG1 3.12Å | ||
| 728 | P | 83.9 | Confident | 89.3 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 25% | 0.247 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -36.3 | -162 | -23.5 | 28.4 | 0 | 0 | 0 | 115.3 | Q730 P766 S767 Y770 | P728-Q730 VanDerWaalsContact C-N 3.34Å; P728-P766 HydrophobicContact CG-CB 3.97Å; P728-S767 VanDerWaalsContact CA-OG 3.27Å; P728-S767 WeakPolarHBondContact CA-OG 3.18Å; P728-S767 WeakPolarHBondContact CD-OG 3.49Å; P728-S767 WeakPolarHBondContact CG-OG 3.3Å; P728-S767 VanDerWaalsContact N-OG 3.12Å; P728-Y770 HydrophobicContact CB-CD2 4.21Å; P728-Y770 HydrophobicContact CB-CG 4.18Å; P728-Y770 WeakPolarHBondContact O-CB 3.07Å; P728-Y770 VanDerWaalsContact O-CD1 3.3Å; P728-Y770 WeakPolarHBondContact O-CD1 3.45Å |
| 729 | K | 84.7 | Confident | 89.3 | Confident | 51 Ų | 51 | 35.6 Ų | 35.6 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.4 | -32.3 | 178.1 | -51.1 | -173.5 | -150.6 | 72.9 | 0 | 111.4 | E662 I666 V727 F733 | E662-K729 IonicContact OE1-NZ 2.83Å; E662-K729 PolarHBondContact OE1-NZ 2.99Å; I666-K729 HydrophobicContact CD1-CB 3.68Å; I666-K729 HydrophobicContact CD1-CD 3.96Å; I666-K729 HydrophobicContact CD1-CG 4.33Å; I666-K729 HydrophobicContact CG1-CB 4.13Å; I666-K729 HydrophobicContact CG2-CB 4.46Å; V727-K729 VanDerWaalsContact C-N 3.33Å; V727-K729 PolarHBondContact O-N 3.29Å; V727-K729 VanDerWaalsContact O-N 3.1Å; K729-F733 WeakPolarHBondContact O-CD2 3.34Å; K729-F733 WeakPolarHBondContact O-CE2 3.38Å |
| 730 | Q | 91 | Very high | 89.1 | Confident | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.7 | -46.7 | -179.5 | -163.8 | 170.4 | 14.5 | 0 | 0 | 110.9 | I666 V669 V727 P728 K732 F733 V734 | I666-Q730 HydrophobicContact CG1-CB 4.17Å; V669-Q730 HydrophobicContact CB-CG 4.12Å; V669-Q730 HydrophobicContact CG1-CG 4.42Å; V669-Q730 HydrophobicContact CG2-CG 3.78Å; V669-Q730 VanDerWaalsContact CG2-NE2 3.3Å; V727-Q730 HydrophobicContact CB-CB 3.91Å; V727-Q730 HydrophobicContact CG1-CB 3.95Å; V727-Q730 WeakPolarHBondContact O-CA 3.29Å; V727-Q730 WeakPolarHBondContact O-CB 3.32Å; V727-Q730 PolarHBondContact O-N 2.84Å; P728-Q730 VanDerWaalsContact C-N 3.34Å; Q730-K732 PolarHBondContact O-N 2.93Å; Q730-K732 VanDerWaalsContact O-N 3.11Å; Q730-F733 CarbonylContact O-C 3.59Å; Q730-F733 WeakPolarHBondContact O-CA 3.37Å; Q730-F733 PolarHBondContact O-N 3.08Å; Q730-V734 HydrophobicContact CG-CG2 4.34Å; Q730-V734 WeakPolarHBondContact O-CG2 3.44Å; Q730-V734 PolarHBondContact O-N 2.65Å |
| 731 | T | 92 | Very high | 88.8 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -47.4 | -42.6 | 175.3 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | L723 V727 F733 V734 V735 L754 S767 | L723-T731 HydrophobicContact CD1-CG2 3.89Å; V727-T731 PolarHBondContact O-N 3.48Å; V727-T731 PolarHBondContact O-OG1 3.06Å; V727-T731 VanDerWaalsContact O-OG1 3.12Å; T731-F733 VanDerWaalsContact C-N 3.28Å; T731-F733 PolarHBondContact O-N 2.87Å; T731-V734 PolarHBondContact O-N 3.03Å; T731-V735 WeakPolarHBondContact O-CG2 3.23Å; T731-V735 PolarHBondContact O-N 2.76Å; T731-L754 HydrophobicContact CG2-CD2 4.49Å; T731-S767 WeakPolarHBondContact CG2-O 3.4Å |
| 732 | K | 90.7 | Very high | 88.6 | Confident | 38 Ų | 38 | 30.8 Ų | 30.8 | 17% | 0.165 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -25.6 | 177.3 | -180 | -100.6 | 167.7 | -174.2 | 0 | 114.3 | Q730 R736 Y770 E774 | Q730-K732 PolarHBondContact O-N 2.93Å; Q730-K732 VanDerWaalsContact O-N 3.11Å; K732-R736 VanDerWaalsContact NZ-CZ 3.33Å; K732-R736 WeakPolarHBondContact O-CD 3.27Å; K732-R736 WeakPolarHBondContact O-CG 3.32Å; K732-Y770 HydrophobicContact CB-CD1 4.1Å; K732-Y770 HydrophobicContact CG-CD1 4.48Å; K732-E774 WeakPolarHBondContact CE-OE2 3.46Å; K732-E774 HydrophobicContact CG-CB 4.07Å; K732-E774 HydrophobicContact CG-CG 4.01Å; K732-E774 WeakPolarHBondContact CG-OE2 3.46Å |
| 733 | F | 93.5 | Very high | 88.4 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 9% | 0.088 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -93.6 | -30.5 | 172.4 | -62.1 | -67.5 | 0 | 0 | 0 | 112.4 | I666 V669 H670 S673 K729 Q730 T731 R736 A737 | I666-F733 HydrophobicContact CG2-CD2 4.12Å; I666-F733 HydrophobicContact CG2-CE2 3.9Å; V669-F733 HydrophobicContact CB-CB 4.3Å; V669-F733 HydrophobicContact CG1-CB 3.65Å; H670-F733 HydrophobicContact CB-CB 4.48Å; H670-F733 HydrophobicContact CB-CD1 3.83Å; H670-F733 HydrophobicContact CB-CD2 4Å; H670-F733 HydrophobicContact CB-CE1 3.97Å; H670-F733 HydrophobicContact CB-CE2 4.13Å; H670-F733 HydrophobicContact CB-CG 3.85Å; H670-F733 HydrophobicContact CB-CZ 4.11Å; H670-F733 AromaticContact CD2-CD1 3.4Å; H670-F733 WeakPolarHBondContact CD2-CD1 3.35Å; H670-F733 AromaticContact CD2-CE1 3.13Å; H670-F733 WeakPolarHBondContact CD2-CE1 3.48Å; H670-F733 AromaticContact CD2-CZ 3.88Å; H670-F733 AromaticContact CE1-CE1 3.73Å; H670-F733 AromaticContact CE1-CZ 3.87Å; H670-F733 AromaticContact CG-CD1 3.63Å; H670-F733 AromaticContact CG-CE1 3.34Å; H670-F733 AromaticContact CG-CZ 3.63Å; H670-F733 AromaticContact ND1-CE1 3.7Å; H670-F733 AromaticContact ND1-CZ 3.62Å; H670-F733 AromaticContact NE2-CE1 3.39Å; H670-F733 WeakPolarHBondContact NE2-CE1 3.2Å; S673-F733 VanDerWaalsContact CB-O 3.27Å; S673-F733 WeakPolarHBondContact CB-O 3.49Å; K729-F733 WeakPolarHBondContact O-CD2 3.34Å; K729-F733 WeakPolarHBondContact O-CE2 3.38Å; Q730-F733 CarbonylContact O-C 3.59Å; Q730-F733 WeakPolarHBondContact O-CA 3.37Å; Q730-F733 PolarHBondContact O-N 3.08Å; T731-F733 VanDerWaalsContact C-N 3.28Å; T731-F733 PolarHBondContact O-N 2.87Å; F733-R736 WeakPolarHBondContact O-CB 3.32Å; F733-R736 PolarHBondContact O-N 3.01Å; F733-A737 PolarHBondContact O-N 3.4Å |
| 734 | V | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | 170.2 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | V669 L719 R722 L723 Q730 T731 R736 A737 F738 | V669-V734 HydrophobicContact CG1-CB 4.41Å; V669-V734 HydrophobicContact CG1-CG2 3.7Å; L719-V734 HydrophobicContact CB-CG1 4.27Å; L719-V734 HydrophobicContact CD2-CG1 4.34Å; L719-V734 HydrophobicContact CD2-CG2 4.3Å; L719-V734 VanDerWaalsContact O-CG1 3.3Å; L719-V734 WeakPolarHBondContact O-CG1 3.46Å; R722-V734 HydrophobicContact CB-CG2 3.81Å; L723-V734 HydrophobicContact CB-CG1 4.18Å; L723-V734 HydrophobicContact CD1-CB 4.18Å; L723-V734 HydrophobicContact CD1-CG1 3.67Å; Q730-V734 HydrophobicContact CG-CG2 4.34Å; Q730-V734 WeakPolarHBondContact O-CG2 3.44Å; Q730-V734 PolarHBondContact O-N 2.65Å; T731-V734 PolarHBondContact O-N 3.03Å; V734-R736 PolarHBondContact O-N 2.95Å; V734-A737 WeakPolarHBondContact O-CA 3.44Å; V734-A737 WeakPolarHBondContact O-CB 3.29Å; V734-A737 PolarHBondContact O-N 2.53Å; V734-F738 HydrophobicContact CG1-CD2 3.7Å; V734-F738 HydrophobicContact CG1-CE2 3.31Å; V734-F738 HydrophobicContact CG1-CZ 3.99Å; V734-F738 PolarHBondContact O-N 3.42Å |
| 735 | V | 92.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.7 | -32.5 | 177.4 | 168.2 | 0 | 0 | 0 | 0 | 112.7 | L723 T731 H739 F747 L754 E774 A775 | L723-V735 HydrophobicContact CD1-CG2 4.36Å; T731-V735 WeakPolarHBondContact O-CG2 3.23Å; T731-V735 PolarHBondContact O-N 2.76Å; V735-H739 WeakPolarHBondContact O-CB 3.27Å; V735-H739 PolarHBondContact O-N 3.4Å; V735-H739 VanDerWaalsContact O-N 3.07Å; V735-F747 HydrophobicContact CG1-CE2 4.06Å; V735-F747 HydrophobicContact CG1-CZ 4.16Å; V735-F747 WeakPolarHBondContact O-CE2 3.09Å; V735-L754 HydrophobicContact CG2-CD1 3.76Å; V735-E774 HydrophobicContact CG1-CB 4.39Å; V735-A775 HydrophobicContact CG1-CB 3.81Å |
| 736 | R | 91.9 | Very high | 88.3 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73 | -27.7 | 173.1 | -75.6 | 170.3 | 168.4 | -140.5 | -8.2 | 113.7 | K732 F733 V734 R740 E774 L778 | K732-R736 VanDerWaalsContact NZ-CZ 3.33Å; K732-R736 WeakPolarHBondContact O-CD 3.27Å; K732-R736 WeakPolarHBondContact O-CG 3.32Å; F733-R736 WeakPolarHBondContact O-CB 3.32Å; F733-R736 PolarHBondContact O-N 3.01Å; V734-R736 PolarHBondContact O-N 2.95Å; R736-R740 WeakPolarHBondContact O-CG 3.47Å; R736-E774 HydrophobicContact CG-CG 3.83Å; R736-E774 IonicContact CZ-OE1 2.73Å; R736-E774 IonicContact NE-OE1 2.75Å; R736-E774 PolarHBondContact NE-OE1 3.25Å; R736-E774 IonicContact NH2-OE1 3.46Å; R736-E774 PolarHBondContact NH2-OE1 3.09Å; R736-L778 HydrophobicContact CG-CD1 4.07Å |
| 737 | A | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.2 | -47.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V672 L719 F733 V734 H739 R740 I741 | V672-A737 HydrophobicContact CG1-CB 4.08Å; L719-A737 HydrophobicContact CD1-CB 3.68Å; L719-A737 HydrophobicContact CD2-CB 4.02Å; F733-A737 PolarHBondContact O-N 3.4Å; V734-A737 WeakPolarHBondContact O-CA 3.44Å; V734-A737 WeakPolarHBondContact O-CB 3.29Å; V734-A737 PolarHBondContact O-N 2.53Å; A737-H739 VanDerWaalsContact C-N 3.33Å; A737-H739 PolarHBondContact O-N 2.72Å; A737-R740 PolarHBondContact O-N 3.02Å; A737-I741 HydrophobicContact CB-CD1 4.41Å; A737-I741 WeakPolarHBondContact O-CG1 3.49Å; A737-I741 PolarHBondContact O-N 3.03Å; A737-I741 VanDerWaalsContact O-N 3.1Å |
| 738 | F | 91 | Very high | 88.5 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.8 | -42.5 | 175.2 | -69.7 | -42.9 | 0 | 0 | 0 | 112.8 | L719 E720 L723 V734 R740 I741 C742 F747 | L719-F738 HydrophobicContact CB-CD1 4.44Å; L719-F738 HydrophobicContact CB-CE1 3.62Å; L719-F738 HydrophobicContact CB-CE2 4.48Å; L719-F738 HydrophobicContact CB-CZ 3.65Å; L719-F738 HydrophobicContact CD1-CD1 4.47Å; L719-F738 HydrophobicContact CD1-CE1 4.34Å; E720-F738 HydrophobicContact CG-CE1 4.29Å; E720-F738 HydrophobicContact CG-CZ 3.75Å; L723-F738 HydrophobicContact CD1-CE2 4.39Å; L723-F738 HydrophobicContact CD2-CE2 4.27Å; V734-F738 HydrophobicContact CG1-CD2 3.7Å; V734-F738 HydrophobicContact CG1-CE2 3.31Å; V734-F738 HydrophobicContact CG1-CZ 3.99Å; V734-F738 PolarHBondContact O-N 3.42Å; F738-R740 PolarHBondContact O-N 3.29Å; F738-I741 PolarHBondContact O-N 3.03Å; F738-C742 VanDerWaalsContact CD1-SG 3.53Å; F738-C742 WeakPolarHBondContact O-CB 3.35Å; F738-C742 PolarHBondContact O-N 2.99Å; F738-F747 HydrophobicContact CB-CD2 4Å; F738-F747 HydrophobicContact CB-CE2 4.31Å |
| 739 | H | 89.5 | Confident | 88.8 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 22% | 0.222 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -15.2 | 174.8 | 176.7 | -109.5 | 0 | 0 | 0 | 115.3 | V735 A737 F747 L778 R779 | V735-H739 WeakPolarHBondContact O-CB 3.27Å; V735-H739 PolarHBondContact O-N 3.4Å; V735-H739 VanDerWaalsContact O-N 3.07Å; A737-H739 VanDerWaalsContact C-N 3.33Å; A737-H739 PolarHBondContact O-N 2.72Å; H739-F747 HydrophobicContact CB-CD2 4.17Å; H739-F747 HydrophobicContact CB-CE1 4.31Å; H739-F747 HydrophobicContact CB-CE2 3.68Å; H739-F747 HydrophobicContact CB-CZ 3.76Å; H739-F747 AromaticContact CD2-CE1 3.92Å; H739-L778 HydrophobicContact CB-CD1 3.77Å; H739-R779 PolarHBondContact NE2-NE 3.4Å |
| 740 | R | 86.4 | Confident | 88.9 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -110.9 | -18.8 | -179.7 | -61.2 | 174.7 | -177.1 | -129.4 | 24.1 | 114.4 | S673 N674 A676 D677 N680 R736 A737 F738 | S673-R740 PolarHBondContact O-NE 3.1Å; S673-R740 VanDerWaalsContact O-NE 3.11Å; S673-R740 PolarHBondContact O-NH2 3.23Å; N674-R740 PolarHBondContact O-NH1 3.37Å; N674-R740 VanDerWaalsContact O-NH1 3.07Å; A676-R740 HydrophobicContact CB-CB 3.8Å; D677-R740 WeakPolarHBondContact OD1-CB 3.15Å; D677-R740 WeakPolarHBondContact OD1-CD 3.49Å; D677-R740 WeakPolarHBondContact OD1-CG 3.12Å; D677-R740 IonicContact OD1-NH1 3.39Å; D677-R740 IonicContact OD2-CZ 2.69Å; D677-R740 IonicContact OD2-NE 2.7Å; D677-R740 IonicContact OD2-NH1 3.47Å; D677-R740 PolarHBondContact OD2-NH1 3.24Å; N680-R740 PolarHBondContact ND2-O 2.64Å; R736-R740 WeakPolarHBondContact O-CG 3.47Å; A737-R740 PolarHBondContact O-N 3.02Å; F738-R740 PolarHBondContact O-N 3.29Å |
| 741 | I | 83.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -109.7 | -32.4 | -176.2 | -51.7 | 171 | 0 | 0 | 0 | 111.2 | A676 N680 F712 L715 K716 L719 A737 F738 | A676-I741 HydrophobicContact CB-CD1 3.86Å; A676-I741 HydrophobicContact CB-CG1 3.68Å; N680-I741 PolarHBondContact ND2-O 3.15Å; F712-I741 HydrophobicContact CD1-CG2 4.07Å; L715-I741 HydrophobicContact CD2-CD1 3.95Å; L715-I741 HydrophobicContact CG-CD1 4.42Å; K716-I741 HydrophobicContact CG-CG2 4.18Å; L719-I741 HydrophobicContact CD1-CD1 3.87Å; A737-I741 HydrophobicContact CB-CD1 4.41Å; A737-I741 WeakPolarHBondContact O-CG1 3.49Å; A737-I741 PolarHBondContact O-N 3.03Å; A737-I741 VanDerWaalsContact O-N 3.1Å; F738-I741 PolarHBondContact O-N 3.03Å |
| 742 | C | 85 | Confident | 88.6 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 9% | 0.088 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -88.3 | 150.7 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | F738 E746 F747 | F738-C742 VanDerWaalsContact CD1-SG 3.53Å; F738-C742 WeakPolarHBondContact O-CB 3.35Å; F738-C742 PolarHBondContact O-N 2.99Å; C742-E746 WeakPolarHBondContact CA-OE2 3.39Å; C742-E746 HydrophobicContact CB-CB 4.03Å; C742-E746 VanDerWaalsContact CB-CD 3.48Å; C742-E746 HydrophobicContact CB-CG 3.84Å; C742-E746 VanDerWaalsContact CB-OE2 3.28Å; C742-E746 WeakPolarHBondContact CB-OE2 3.19Å; C742-E746 PolarHBondContact SG-OE1 2.95Å; C742-F747 HydrophobicContact CB-CB 4.22Å |
| 743 | E | 83.9 | Confident | 88.3 | Confident | 152 Ų | 152 | 45.1 Ų | 45.1 | 71% | 0.71 | 21% | 0.214 | S | C | * | . | trans | -70.4 | 164 | 167.1 | -62.7 | -172.4 | 164.8 | 0 | 0 | 110.7 | D745 E746 F747 | E743-D745 VanDerWaalsContact C-N 3.26Å; E743-D745 PolarHBondContact O-N 2.9Å; E743-E746 PolarHBondContact N-OE2 3.18Å; E743-E746 PolarHBondContact O-N 3.32Å; E743-F747 WeakPolarHBondContact O-CB 3.18Å; E743-F747 PolarHBondContact O-N 3.2Å | ||
| 744 | D | 84.4 | Confident | 87.9 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 31% | 0.305 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.6 | -30.3 | -173.5 | -92 | -34.4 | 0 | 0 | 0 | 113.5 | S748 R779 | D744-S748 WeakPolarHBondContact O-CB 3.31Å; D744-S748 PolarHBondContact O-N 3.28Å; D744-S748 VanDerWaalsContact O-N 3.07Å; D744-S748 PolarHBondContact O-OG 3.48Å; D744-R779 VanDerWaalsContact CG-NH1 3.26Å; D744-R779 IonicContact OD1-CZ 2.77Å; D744-R779 IonicContact OD1-NE 2.7Å; D744-R779 PolarHBondContact OD1-NE 2.88Å; D744-R779 IonicContact OD1-NH1 2.71Å; D744-R779 PolarHBondContact OD1-NH1 3.46Å; D744-R779 VanDerWaalsContact OD1-NH1 3.1Å; D744-R779 IonicContact OD1-NH2 3.48Å; D744-R779 PolarHBondContact OD1-NH2 2.56Å; D744-R779 IonicContact OD2-CZ 2.86Å; D744-R779 IonicContact OD2-NH1 2.61Å; D744-R779 PolarHBondContact OD2-NH1 3.41Å; D744-R779 IonicContact OD2-NH2 2.65Å; D744-R779 PolarHBondContact OD2-NH2 3.11Å |
| 745 | D | 86.5 | Confident | 87.6 | Confident | 138 Ų | 138 | 47.3 Ų | 47.3 | 74% | 0.738 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -72.8 | -47.8 | 175.1 | -70.7 | -17 | 0 | 0 | 0 | 111.7 | E743 F747 S748 E749 | E743-D745 VanDerWaalsContact C-N 3.26Å; E743-D745 PolarHBondContact O-N 2.9Å; D745-F747 VanDerWaalsContact C-N 3.33Å; D745-F747 PolarHBondContact O-N 3.22Å; D745-S748 WeakPolarHBondContact O-CA 3.45Å; D745-S748 WeakPolarHBondContact O-CB 3.38Å; D745-S748 PolarHBondContact O-N 3.5Å; D745-S748 VanDerWaalsContact O-N 3.09Å; D745-E749 PolarHBondContact O-N 3.39Å |
| 746 | E | 87.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 176 | -178.6 | -168.1 | 178.1 | 0 | 0 | 111.3 | K716 C742 E743 S748 E749 K750 | K716-E746 WeakPolarHBondContact CE-OE1 3.41Å; K716-E746 IonicContact NZ-OE1 3.61Å; K716-E746 PolarHBondContact NZ-OE1 3.46Å; K716-E746 IonicContact NZ-OE2 2.71Å; K716-E746 PolarHBondContact NZ-OE2 3.04Å; C742-E746 WeakPolarHBondContact CA-OE2 3.39Å; C742-E746 HydrophobicContact CB-CB 4.03Å; C742-E746 VanDerWaalsContact CB-CD 3.48Å; C742-E746 HydrophobicContact CB-CG 3.84Å; C742-E746 VanDerWaalsContact CB-OE2 3.28Å; C742-E746 WeakPolarHBondContact CB-OE2 3.19Å; C742-E746 PolarHBondContact SG-OE1 2.95Å; E743-E746 PolarHBondContact N-OE2 3.18Å; E743-E746 PolarHBondContact O-N 3.32Å; E746-S748 VanDerWaalsContact C-N 3.3Å; E746-S748 PolarHBondContact O-N 3.11Å; E746-E749 WeakPolarHBondContact O-CB 3.29Å; E746-E749 PolarHBondContact O-N 3.38Å; E746-K750 WeakPolarHBondContact O-CG 3.38Å; E746-K750 PolarHBondContact O-N 2.93Å; E746-K750 VanDerWaalsContact O-N 3.12Å |
| 747 | F | 89.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -35.8 | 174.3 | -178 | -114.9 | 0 | 0 | 0 | 112.1 | V735 F738 H739 C742 E743 D745 F751 A775 R779 F783 | V735-F747 HydrophobicContact CG1-CE2 4.06Å; V735-F747 HydrophobicContact CG1-CZ 4.16Å; V735-F747 WeakPolarHBondContact O-CE2 3.09Å; F738-F747 HydrophobicContact CB-CD2 4Å; F738-F747 HydrophobicContact CB-CE2 4.31Å; H739-F747 HydrophobicContact CB-CD2 4.17Å; H739-F747 HydrophobicContact CB-CE1 4.31Å; H739-F747 HydrophobicContact CB-CE2 3.68Å; H739-F747 HydrophobicContact CB-CZ 3.76Å; H739-F747 AromaticContact CD2-CE1 3.92Å; C742-F747 HydrophobicContact CB-CB 4.22Å; E743-F747 WeakPolarHBondContact O-CB 3.18Å; E743-F747 PolarHBondContact O-N 3.2Å; D745-F747 VanDerWaalsContact C-N 3.33Å; D745-F747 PolarHBondContact O-N 3.22Å; F747-F751 PolarHBondContact O-N 3.04Å; F747-A775 HydrophobicContact CE1-CB 4.49Å; F747-A775 HydrophobicContact CZ-CB 3.95Å; F747-R779 HydrophobicContact CE1-CG 4.11Å; F747-F783 HydrophobicContact CD1-CE2 4.3Å; F747-F783 HydrophobicContact CD1-CZ 4.4Å; F747-F783 AromaticContact CE1-CE2 3.95Å; F747-F783 HydrophobicContact CE1-CE2 3.95Å; F747-F783 HydrophobicContact CE1-CZ 4.48Å |
| 748 | S | 88.4 | Confident | 86.5 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -39.2 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | D744 D745 E746 K750 F751 H752 F783 | D744-S748 WeakPolarHBondContact O-CB 3.31Å; D744-S748 PolarHBondContact O-N 3.28Å; D744-S748 VanDerWaalsContact O-N 3.07Å; D744-S748 PolarHBondContact O-OG 3.48Å; D745-S748 WeakPolarHBondContact O-CA 3.45Å; D745-S748 WeakPolarHBondContact O-CB 3.38Å; D745-S748 PolarHBondContact O-N 3.5Å; D745-S748 VanDerWaalsContact O-N 3.09Å; E746-S748 VanDerWaalsContact C-N 3.3Å; E746-S748 PolarHBondContact O-N 3.11Å; S748-K750 PolarHBondContact O-N 3.28Å; S748-F751 WeakPolarHBondContact O-CB 3.31Å; S748-F751 PolarHBondContact O-N 3.25Å; S748-H752 PolarHBondContact O-CD2 2.99Å; S748-H752 PolarHBondContact O-N 3.29Å; S748-F783 WeakPolarHBondContact OG-CZ 3.49Å |
| 749 | E | 89 | Confident | 86 | Confident | 124 Ų | 124 | 51.9 Ų | 51.9 | 58% | 0.579 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.5 | -50 | 172.4 | -170 | -171.8 | 176.8 | 0 | 0 | 111.3 | D745 E746 F751 H752 Q753 | D745-E749 PolarHBondContact O-N 3.39Å; E746-E749 WeakPolarHBondContact O-CB 3.29Å; E746-E749 PolarHBondContact O-N 3.38Å; E749-F751 VanDerWaalsContact C-N 3.26Å; E749-F751 PolarHBondContact O-N 3.39Å; E749-H752 PolarHBondContact O-N 2.95Å; E749-H752 VanDerWaalsContact O-N 3.16Å; E749-Q753 PolarHBondContact O-N 2.87Å |
| 750 | K | 87.4 | Confident | 85.7 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -31 | 177.1 | -57.1 | -41.4 | -174 | -172.1 | 0 | 112.8 | E720 E746 S748 L754 | E720-K750 WeakPolarHBondContact OE1-CE 3.43Å; E720-K750 IonicContact OE1-NZ 2.69Å; E720-K750 PolarHBondContact OE1-NZ 3.19Å; E746-K750 WeakPolarHBondContact O-CG 3.38Å; E746-K750 PolarHBondContact O-N 2.93Å; E746-K750 VanDerWaalsContact O-N 3.12Å; S748-K750 PolarHBondContact O-N 3.28Å; K750-L754 WeakPolarHBondContact O-CG 3.27Å; K750-L754 PolarHBondContact O-N 3.41Å |
| 751 | F | 87.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 171.8 | 174.8 | -94.5 | 0 | 0 | 0 | 112.1 | F747 S748 E749 Q753 L754 Y755 I772 A775 V776 F783 E786 | F747-F751 PolarHBondContact O-N 3.04Å; S748-F751 WeakPolarHBondContact O-CB 3.31Å; S748-F751 PolarHBondContact O-N 3.25Å; E749-F751 VanDerWaalsContact C-N 3.26Å; E749-F751 PolarHBondContact O-N 3.39Å; F751-Q753 VanDerWaalsContact C-N 3.32Å; F751-Q753 PolarHBondContact O-N 3.29Å; F751-L754 PolarHBondContact O-N 3.4Å; F751-Y755 WeakPolarHBondContact O-CB 3.49Å; F751-Y755 PolarHBondContact O-N 3.25Å; F751-I772 HydrophobicContact CE2-CB 4.2Å; F751-I772 HydrophobicContact CE2-CG1 4.11Å; F751-I772 HydrophobicContact CE2-CG2 3.98Å; F751-I772 HydrophobicContact CZ-CG2 4.3Å; F751-A775 HydrophobicContact CD2-CB 3.53Å; F751-A775 HydrophobicContact CE2-CB 4.06Å; F751-V776 HydrophobicContact CE2-CG2 4Å; F751-V776 HydrophobicContact CZ-CG2 4.25Å; F751-F783 HydrophobicContact CB-CE1 4.07Å; F751-F783 HydrophobicContact CB-CE2 4.37Å; F751-F783 HydrophobicContact CB-CZ 4Å; F751-F783 HydrophobicContact CD1-CB 4.22Å; F751-F783 AromaticContact CD1-CD1 3.26Å; F751-F783 HydrophobicContact CD1-CD1 3.26Å; F751-F783 HydrophobicContact CD1-CD2 4.34Å; F751-F783 AromaticContact CD1-CE1 3.6Å; F751-F783 HydrophobicContact CD1-CE1 3.6Å; F751-F783 AromaticContact CD1-CG 3.68Å; F751-F783 HydrophobicContact CD1-CG 3.68Å; F751-F783 HydrophobicContact CD1-CZ 4.27Å; F751-F783 HydrophobicContact CD2-CD2 4.2Å; F751-F783 HydrophobicContact CD2-CG 4.2Å; F751-F783 HydrophobicContact CE1-CB 3.65Å; F751-F783 AromaticContact CE1-CD1 3.51Å; F751-F783 HydrophobicContact CE1-CD1 3.51Å; F751-F783 HydrophobicContact CE1-CE1 4.31Å; F751-F783 AromaticContact CE1-CG 3.65Å; F751-F783 HydrophobicContact CE1-CG 3.65Å; F751-F783 HydrophobicContact CE2-CB 4.11Å; F751-F783 HydrophobicContact CE2-CD2 4.38Å; F751-F783 HydrophobicContact CE2-CG 4.14Å; F751-F783 AromaticContact CG-CD1 3.84Å; F751-F783 HydrophobicContact CG-CD1 3.84Å; F751-F783 HydrophobicContact CG-CD2 4.16Å; F751-F783 AromaticContact CG-CE1 3.91Å; F751-F783 HydrophobicContact CG-CE1 3.91Å; F751-F783 HydrophobicContact CG-CE2 4.23Å; F751-F783 AromaticContact CG-CG 3.97Å; F751-F783 HydrophobicContact CG-CG 3.97Å; F751-F783 HydrophobicContact CG-CZ 4.11Å; F751-F783 HydrophobicContact CZ-CB 3.59Å; F751-F783 HydrophobicContact CZ-CD1 4.23Å; F751-F783 AromaticContact CZ-CG 3.89Å; F751-F783 HydrophobicContact CZ-CG 3.89Å; F751-E786 HydrophobicContact CE1-CB 3.92Å; F751-E786 HydrophobicContact CE1-CG 4.15Å; F751-E786 HydrophobicContact CZ-CB 4.13Å |
| 752 | H | 88 | Confident | 85.2 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.6 | -33.6 | -179.5 | -70.3 | -60.3 | 0 | 0 | 0 | 112.4 | S748 E749 Y755 A756 E786 | S748-H752 PolarHBondContact O-CD2 2.99Å; S748-H752 PolarHBondContact O-N 3.29Å; E749-H752 PolarHBondContact O-N 2.95Å; E749-H752 VanDerWaalsContact O-N 3.16Å; H752-Y755 PolarHBondContact O-N 2.91Å; H752-A756 PolarHBondContact O-N 3.07Å; H752-E786 IonicContact CE1-OE1 3.51Å |
| 753 | Q | 85.8 | Confident | 85.1 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.7 | -56.1 | 168.3 | -179 | -175.9 | -7.3 | 0 | 0 | 111.1 | E749 F751 Y755 A756 E757 | E749-Q753 PolarHBondContact O-N 2.87Å; F751-Q753 VanDerWaalsContact C-N 3.32Å; F751-Q753 PolarHBondContact O-N 3.29Å; Q753-Y755 PolarHBondContact O-N 3.12Å; Q753-A756 PolarHBondContact O-N 3.24Å; Q753-A756 VanDerWaalsContact O-N 3.15Å; Q753-E757 VanDerWaalsContact CG-OE1 3.24Å; Q753-E757 WeakPolarHBondContact CG-OE1 3.29Å; Q753-E757 PolarHBondContact NE2-OE1 3.38Å; Q753-E757 WeakPolarHBondContact O-CG 3.41Å; Q753-E757 PolarHBondContact O-N 2.86Å |
| 754 | L | 85.4 | Confident | 85.2 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -33.6 | 179.2 | -73.2 | 170.1 | 0 | 0 | 0 | 112.9 | L723 T731 V735 K750 F751 A758 S768 | L723-L754 HydrophobicContact CD1-CD1 4.21Å; L723-L754 HydrophobicContact CD1-CD2 4.16Å; L723-L754 HydrophobicContact CD2-CD1 4.46Å; L723-L754 HydrophobicContact CD2-CD2 4.1Å; L723-L754 HydrophobicContact CD2-CG 4.24Å; L723-L754 HydrophobicContact CG-CD2 4.12Å; T731-L754 HydrophobicContact CG2-CD2 4.49Å; V735-L754 HydrophobicContact CG2-CD1 3.76Å; K750-L754 WeakPolarHBondContact O-CG 3.27Å; K750-L754 PolarHBondContact O-N 3.41Å; F751-L754 PolarHBondContact O-N 3.4Å; L754-A758 WeakPolarHBondContact O-CB 3.32Å; L754-A758 PolarHBondContact O-N 2.99Å; L754-S768 WeakPolarHBondContact O-CB 3.5Å; L754-S768 PolarHBondContact O-OG 3.32Å |
| 755 | Y | 86.3 | Confident | 85.5 | Confident | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 177 | 175.7 | -102.9 | 0 | 0 | 0 | 112.7 | F751 H752 Q753 A758 E786 N789 T790 | F751-Y755 WeakPolarHBondContact O-CB 3.49Å; F751-Y755 PolarHBondContact O-N 3.25Å; H752-Y755 PolarHBondContact O-N 2.91Å; Q753-Y755 PolarHBondContact O-N 3.12Å; Y755-A758 WeakPolarHBondContact O-CB 3.4Å; Y755-E786 HydrophobicContact CD2-CB 4.01Å; Y755-E786 HydrophobicContact CE1-CB 4.5Å; Y755-E786 HydrophobicContact CE1-CG 4.46Å; Y755-E786 HydrophobicContact CE2-CB 3.83Å; Y755-E786 VanDerWaalsContact CE2-O 3.3Å; Y755-E786 WeakPolarHBondContact CE2-O 3.39Å; Y755-E786 HydrophobicContact CG-CB 4.42Å; Y755-N789 WeakPolarHBondContact OH-CB 3.38Å; Y755-T790 WeakPolarHBondContact CE2-OG1 3.36Å |
| 756 | A | 86.2 | Confident | 85.6 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 48% | 0.479 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.6 | -53.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H752 Q753 A758 | H752-A756 PolarHBondContact O-N 3.07Å; Q753-A756 PolarHBondContact O-N 3.24Å; Q753-A756 VanDerWaalsContact O-N 3.15Å; A756-A758 PolarHBondContact O-N 3.17Å; A756-A758 VanDerWaalsContact O-N 3.11Å |
| 757 | E | 84.5 | Confident | 85.7 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -28.8 | 179.8 | -69.3 | 173.6 | -172.5 | 0 | 0 | 113 | H726 Q753 F759 E760 V764 | H726-E757 IonicContact CE1-OE2 3.39Å; Q753-E757 VanDerWaalsContact CG-OE1 3.24Å; Q753-E757 WeakPolarHBondContact CG-OE1 3.29Å; Q753-E757 PolarHBondContact NE2-OE1 3.38Å; Q753-E757 WeakPolarHBondContact O-CG 3.41Å; Q753-E757 PolarHBondContact O-N 2.86Å; E757-F759 PolarHBondContact O-N 2.88Å; E757-E760 PolarHBondContact O-N 3.33Å; E757-V764 HydrophobicContact CB-CG1 4.37Å |
| 758 | A | 81.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L754 Y755 A756 L765 I772 | L754-A758 WeakPolarHBondContact O-CB 3.32Å; L754-A758 PolarHBondContact O-N 2.99Å; Y755-A758 WeakPolarHBondContact O-CB 3.4Å; A756-A758 PolarHBondContact O-N 3.17Å; A756-A758 VanDerWaalsContact O-N 3.11Å; A758-L765 WeakPolarHBondContact O-CA 3.17Å; A758-L765 VanDerWaalsContact O-CB 3.26Å; A758-L765 WeakPolarHBondContact O-CB 3.44Å; A758-L765 WeakPolarHBondContact O-CD1 3.39Å; A758-I772 HydrophobicContact CB-CD1 3.97Å |
| 759 | F | 80.5 | Confident | 85.9 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 9.1 | -175.3 | -62 | -76 | 0 | 0 | 0 | 114 | E757 L765 L769 T790 C793 A794 | E757-F759 PolarHBondContact O-N 2.88Å; F759-L765 HydrophobicContact CD1-CD1 3.93Å; F759-L765 HydrophobicContact CE1-CD1 3.68Å; F759-L765 HydrophobicContact CZ-CD1 4.28Å; F759-L769 HydrophobicContact CZ-CD2 4.48Å; F759-T790 HydrophobicContact CE2-CG2 4.12Å; F759-T790 HydrophobicContact CZ-CG2 4.02Å; F759-C793 HydrophobicContact CD1-CB 4.28Å; F759-C793 HydrophobicContact CD2-CB 4.01Å; F759-C793 HydrophobicContact CE1-CB 3.84Å; F759-C793 HydrophobicContact CE2-CB 3.54Å; F759-C793 HydrophobicContact CG-CB 4.36Å; F759-C793 HydrophobicContact CZ-CB 3.45Å; F759-C793 VanDerWaalsContact CZ-CB 3.45Å; F759-A794 HydrophobicContact CE1-CB 4.31Å; F759-A794 HydrophobicContact CZ-CB 4.29Å |
| 760 | E | 82.5 | Confident | 85.8 | Confident | 167 Ų | 167 | 40.2 Ų | 40.2 | 78% | 0.78 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -40.3 | 175.8 | -63.4 | -169.2 | 156.8 | 0 | 0 | 112.1 | E757 | E757-E760 PolarHBondContact O-N 3.33Š|
| 761 | D | 81.4 | Confident | 85.9 | Confident | 77 Ų | 77 | 39 Ų | 39 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | trans | -127.1 | 135.4 | 174 | -177.6 | 16.9 | 0 | 0 | 0 | 112.4 | S763 V764 L765 | D761-S763 VanDerWaalsContact C-N 3.28Å; D761-S763 VanDerWaalsContact CG-N 3.33Å; D761-S763 PolarHBondContact O-N 3.13Å; D761-S763 PolarHBondContact OD1-N 2.96Å; D761-S763 VanDerWaalsContact OD2-CB 3.27Å; D761-S763 WeakPolarHBondContact OD2-CB 3.47Å; D761-S763 PolarHBondContact OD2-OG 2.73Å; D761-V764 HydrophobicContact CB-CB 4.49Å; D761-V764 HydrophobicContact CB-CG2 4.28Å; D761-V764 PolarHBondContact O-N 2.78Å; D761-L765 PolarHBondContact O-N 3.09Å; D761-L765 VanDerWaalsContact O-N 3.12Å | ||
| 762 | E | 79.4 | Confident | 86 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -32.6 | 171.2 | 172 | 166.7 | -108.4 | 0 | 0 | 112.5 | V764 P766 F797 K801 T815 | E762-V764 PolarHBondContact O-N 3.01Å; E762-P766 WeakPolarHBondContact O-CD 3.27Å; E762-F797 HydrophobicContact CB-CZ 4.39Å; E762-F797 HydrophobicContact CG-CZ 4.35Å; E762-K801 WeakPolarHBondContact OE1-CE 3.12Å; E762-K801 IonicContact OE1-NZ 2.65Å; E762-K801 PolarHBondContact OE1-NZ 2.95Å; E762-K801 IonicContact OE2-NZ 2.7Å; E762-K801 PolarHBondContact OE2-NZ 2.7Å; E762-T815 HydrophobicContact CG-CG2 4.11Å; E762-T815 WeakPolarHBondContact CG-OG1 3.49Å |
| 763 | S | 81.9 | Confident | 85.9 | Confident | 76 Ų | 76 | 35 Ų | 35 | 53% | 0.531 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.5 | -178.2 | 91.7 | 0 | 0 | 0 | 0 | 112.4 | D761 | D761-S763 VanDerWaalsContact C-N 3.28Å; D761-S763 VanDerWaalsContact CG-N 3.33Å; D761-S763 PolarHBondContact O-N 3.13Å; D761-S763 PolarHBondContact OD1-N 2.96Å; D761-S763 VanDerWaalsContact OD2-CB 3.27Å; D761-S763 WeakPolarHBondContact OD2-CB 3.47Å; D761-S763 PolarHBondContact OD2-OG 2.73Å |
| 764 | V | 86.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -34.7 | -178.4 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | E757 D761 E762 P766 S767 S768 | E757-V764 HydrophobicContact CB-CG1 4.37Å; D761-V764 HydrophobicContact CB-CB 4.49Å; D761-V764 HydrophobicContact CB-CG2 4.28Å; D761-V764 PolarHBondContact O-N 2.78Å; E762-V764 PolarHBondContact O-N 3.01Å; V764-P766 VanDerWaalsContact C-CD 3.43Å; V764-P766 VanDerWaalsContact C-N 3.34Å; V764-P766 VanDerWaalsContact O-N 3.1Å; V764-S767 WeakPolarHBondContact O-CA 3.29Å; V764-S767 WeakPolarHBondContact O-CB 3.42Å; V764-S767 PolarHBondContact O-N 3.43Å; V764-S768 PolarHBondContact O-N 2.98Å |
| 765 | L | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -42.9 | -44.7 | -178.3 | 171.8 | 59.5 | 0 | 0 | 0 | 114.9 | A758 F759 D761 S767 S768 L769 F797 T815 | A758-L765 WeakPolarHBondContact O-CA 3.17Å; A758-L765 VanDerWaalsContact O-CB 3.26Å; A758-L765 WeakPolarHBondContact O-CB 3.44Å; A758-L765 WeakPolarHBondContact O-CD1 3.39Å; F759-L765 HydrophobicContact CD1-CD1 3.93Å; F759-L765 HydrophobicContact CE1-CD1 3.68Å; F759-L765 HydrophobicContact CZ-CD1 4.28Å; D761-L765 PolarHBondContact O-N 3.09Å; D761-L765 VanDerWaalsContact O-N 3.12Å; L765-S767 VanDerWaalsContact C-N 3.26Å; L765-S767 PolarHBondContact O-N 3.46Å; L765-S768 PolarHBondContact O-N 3.34Å; L765-L769 HydrophobicContact CD1-CD1 3.68Å; L765-L769 HydrophobicContact CD1-CD2 4.05Å; L765-L769 HydrophobicContact CD1-CG 3.62Å; L765-L769 HydrophobicContact CG-CD1 4.21Å; L765-L769 HydrophobicContact CG-CG 4.47Å; L765-L769 WeakPolarHBondContact O-CB 3.47Å; L765-L769 VanDerWaalsContact O-CG 3.29Å; L765-L769 WeakPolarHBondContact O-CG 3.3Å; L765-L769 PolarHBondContact O-N 2.99Å; L765-F797 HydrophobicContact CD2-CD1 4.06Å; L765-F797 HydrophobicContact CD2-CD2 4.13Å; L765-F797 HydrophobicContact CD2-CE1 3.83Å; L765-F797 HydrophobicContact CD2-CE2 3.89Å; L765-F797 HydrophobicContact CD2-CG 4.21Å; L765-F797 HydrophobicContact CD2-CZ 3.73Å; L765-T815 HydrophobicContact CD2-CG2 3.46Å; L765-T815 VanDerWaalsContact CD2-CG2 3.46Å; L765-T815 HydrophobicContact CG-CG2 4Å |
| 766 | P | 88.7 | Confident | 86.3 | Confident | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56 | -36.1 | 175.2 | -27.7 | 35.7 | 0 | 0 | 0 | 114.5 | P728 E762 V764 Y770 T814 A818 | P728-P766 HydrophobicContact CG-CB 3.97Å; E762-P766 WeakPolarHBondContact O-CD 3.27Å; V764-P766 VanDerWaalsContact C-CD 3.43Å; V764-P766 VanDerWaalsContact C-N 3.34Å; V764-P766 VanDerWaalsContact O-N 3.1Å; P766-Y770 VanDerWaalsContact O-CD2 3.26Å; P766-Y770 WeakPolarHBondContact O-CD2 3.22Å; P766-Y770 PolarHBondContact O-N 3.09Å; P766-T814 HydrophobicContact CG-CG2 4.49Å; P766-A818 HydrophobicContact CB-CB 3.83Å; P766-A818 HydrophobicContact CG-CB 4.34Å |
| 767 | S | 89.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -81.5 | -45.2 | -177.7 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | H726 P728 T731 V764 L765 L769 Y770 G771 | H726-S767 PolarHBondContact O-OG 2.67Å; P728-S767 VanDerWaalsContact CA-OG 3.27Å; P728-S767 WeakPolarHBondContact CA-OG 3.18Å; P728-S767 WeakPolarHBondContact CD-OG 3.49Å; P728-S767 WeakPolarHBondContact CG-OG 3.3Å; P728-S767 VanDerWaalsContact N-OG 3.12Å; T731-S767 WeakPolarHBondContact CG2-O 3.4Å; V764-S767 WeakPolarHBondContact O-CA 3.29Å; V764-S767 WeakPolarHBondContact O-CB 3.42Å; V764-S767 PolarHBondContact O-N 3.43Å; L765-S767 VanDerWaalsContact C-N 3.26Å; L765-S767 PolarHBondContact O-N 3.46Å; S767-L769 VanDerWaalsContact C-N 3.33Å; S767-L769 PolarHBondContact O-N 2.91Å; S767-Y770 WeakPolarHBondContact O-CA 3.16Å; S767-Y770 WeakPolarHBondContact O-CB 3.32Å; S767-Y770 PolarHBondContact O-N 3.15Å; S767-G771 PolarHBondContact O-N 3.32Å |
| 768 | S | 91.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | L754 V764 L765 Y770 G771 I772 | L754-S768 WeakPolarHBondContact O-CB 3.5Å; L754-S768 PolarHBondContact O-OG 3.32Å; V764-S768 PolarHBondContact O-N 2.98Å; L765-S768 PolarHBondContact O-N 3.34Å; S768-Y770 VanDerWaalsContact C-N 3.27Å; S768-Y770 PolarHBondContact O-N 3.09Å; S768-G771 PolarHBondContact O-N 3.09Å; S768-I772 WeakPolarHBondContact O-CB 3.5Å; S768-I772 WeakPolarHBondContact O-CD1 3.45Å; S768-I772 WeakPolarHBondContact O-CG1 3.3Å; S768-I772 PolarHBondContact O-N 3.13Å |
| 769 | L | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.9 | -31.8 | 174 | -69.5 | 179.6 | 0 | 0 | 0 | 113.5 | F759 L765 S767 V773 T790 C819 F822 | F759-L769 HydrophobicContact CZ-CD2 4.48Å; L765-L769 HydrophobicContact CD1-CD1 3.68Å; L765-L769 HydrophobicContact CD1-CD2 4.05Å; L765-L769 HydrophobicContact CD1-CG 3.62Å; L765-L769 HydrophobicContact CG-CD1 4.21Å; L765-L769 HydrophobicContact CG-CG 4.47Å; L765-L769 WeakPolarHBondContact O-CB 3.47Å; L765-L769 VanDerWaalsContact O-CG 3.29Å; L765-L769 WeakPolarHBondContact O-CG 3.3Å; L765-L769 PolarHBondContact O-N 2.99Å; S767-L769 VanDerWaalsContact C-N 3.33Å; S767-L769 PolarHBondContact O-N 2.91Å; L769-V773 WeakPolarHBondContact O-CG2 3.29Å; L769-V773 PolarHBondContact O-N 3.28Å; L769-T790 HydrophobicContact CD2-CG2 3.63Å; L769-C819 HydrophobicContact CD1-CB 4.36Å; L769-F822 HydrophobicContact CB-CB 4.3Å; L769-F822 HydrophobicContact CB-CD2 3.9Å; L769-F822 HydrophobicContact CB-CG 4.39Å; L769-F822 HydrophobicContact CD1-CB 4.26Å; L769-F822 HydrophobicContact CD1-CG 4.44Å; L769-F822 HydrophobicContact CD2-CD1 4.49Å; L769-F822 HydrophobicContact CD2-CD2 3.56Å; L769-F822 HydrophobicContact CD2-CE2 3.79Å; L769-F822 HydrophobicContact CD2-CG 4Å; L769-F822 HydrophobicContact CD2-CZ 4.38Å; L769-F822 HydrophobicContact CG-CD2 4.2Å |
| 770 | Y | 88 | Confident | 86.3 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 22% | 0.216 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.5 | -39.2 | 174.5 | -96.4 | -114.4 | 0 | 0 | 0 | 112 | P728 K732 P766 S767 S768 E774 | P728-Y770 HydrophobicContact CB-CD2 4.21Å; P728-Y770 HydrophobicContact CB-CG 4.18Å; P728-Y770 WeakPolarHBondContact O-CB 3.07Å; P728-Y770 VanDerWaalsContact O-CD1 3.3Å; P728-Y770 WeakPolarHBondContact O-CD1 3.45Å; K732-Y770 HydrophobicContact CB-CD1 4.1Å; K732-Y770 HydrophobicContact CG-CD1 4.48Å; P766-Y770 VanDerWaalsContact O-CD2 3.26Å; P766-Y770 WeakPolarHBondContact O-CD2 3.22Å; P766-Y770 PolarHBondContact O-N 3.09Å; S767-Y770 WeakPolarHBondContact O-CA 3.16Å; S767-Y770 WeakPolarHBondContact O-CB 3.32Å; S767-Y770 PolarHBondContact O-N 3.15Å; S768-Y770 VanDerWaalsContact C-N 3.27Å; S768-Y770 PolarHBondContact O-N 3.09Å; Y770-E774 PolarHBondContact O-N 2.69Å |
| 771 | G | 89.2 | Confident | 86 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -54.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S767 S768 V773 E774 A775 | S767-G771 PolarHBondContact O-N 3.32Å; S768-G771 PolarHBondContact O-N 3.09Å; G771-V773 VanDerWaalsContact C-N 3.32Å; G771-V773 PolarHBondContact O-N 3.25Å; G771-E774 PolarHBondContact O-N 2.62Å; G771-A775 PolarHBondContact O-N 3.26Å |
| 772 | I | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53 | -46.6 | -179.4 | -70.3 | 163.1 | 0 | 0 | 0 | 111.4 | F751 A758 S768 E774 A775 V776 F787 T790 F822 | F751-I772 HydrophobicContact CE2-CB 4.2Å; F751-I772 HydrophobicContact CE2-CG1 4.11Å; F751-I772 HydrophobicContact CE2-CG2 3.98Å; F751-I772 HydrophobicContact CZ-CG2 4.3Å; A758-I772 HydrophobicContact CB-CD1 3.97Å; S768-I772 WeakPolarHBondContact O-CB 3.5Å; S768-I772 WeakPolarHBondContact O-CD1 3.45Å; S768-I772 WeakPolarHBondContact O-CG1 3.3Å; S768-I772 PolarHBondContact O-N 3.13Å; I772-E774 VanDerWaalsContact C-N 3.33Å; I772-E774 PolarHBondContact O-N 2.83Å; I772-A775 PolarHBondContact O-N 2.7Å; I772-V776 HydrophobicContact CG2-CG2 4.43Å; I772-V776 WeakPolarHBondContact O-CB 3.45Å; I772-V776 WeakPolarHBondContact O-CG2 3.33Å; I772-V776 PolarHBondContact O-N 3.24Å; I772-F787 HydrophobicContact CG2-CD2 3.95Å; I772-F787 HydrophobicContact CG2-CE2 4.39Å; I772-T790 HydrophobicContact CD1-CG2 4.26Å; I772-T790 HydrophobicContact CG2-CG2 4.31Å; I772-F822 HydrophobicContact CG2-CE2 4.48Å |
| 773 | V | 87.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -34.6 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | L769 G771 T777 F787 F822 K825 | L769-V773 WeakPolarHBondContact O-CG2 3.29Å; L769-V773 PolarHBondContact O-N 3.28Å; G771-V773 VanDerWaalsContact C-N 3.32Å; G771-V773 PolarHBondContact O-N 3.25Å; V773-T777 VanDerWaalsContact O-CB 3.31Å; V773-T777 WeakPolarHBondContact O-CB 3.19Å; V773-T777 PolarHBondContact O-N 2.64Å; V773-T777 PolarHBondContact O-OG1 3.5Å; V773-F787 HydrophobicContact CB-CE2 4.5Å; V773-F787 HydrophobicContact CG2-CE2 3.89Å; V773-F787 HydrophobicContact CG2-CZ 4.4Å; V773-F822 HydrophobicContact CG2-CD2 3.11Å; V773-F822 HydrophobicContact CG2-CE2 3.4Å; V773-F822 HydrophobicContact CG2-CG 4.04Å; V773-F822 HydrophobicContact CG2-CZ 4.49Å; V773-K825 HydrophobicContact CB-CD 4.46Å; V773-K825 HydrophobicContact CG1-CB 3.65Å; V773-K825 HydrophobicContact CG1-CD 3.75Å; V773-K825 HydrophobicContact CG1-CG 4.25Å |
| 774 | E | 89.3 | Confident | 85.9 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.9 | -43.2 | 178.8 | -156.2 | 72.9 | -162.8 | 0 | 0 | 110.7 | K732 V735 R736 Y770 G771 I772 V776 T777 L778 | K732-E774 WeakPolarHBondContact CE-OE2 3.46Å; K732-E774 HydrophobicContact CG-CB 4.07Å; K732-E774 HydrophobicContact CG-CG 4.01Å; K732-E774 WeakPolarHBondContact CG-OE2 3.46Å; V735-E774 HydrophobicContact CG1-CB 4.39Å; R736-E774 HydrophobicContact CG-CG 3.83Å; R736-E774 IonicContact CZ-OE1 2.73Å; R736-E774 IonicContact NE-OE1 2.75Å; R736-E774 PolarHBondContact NE-OE1 3.25Å; R736-E774 IonicContact NH2-OE1 3.46Å; R736-E774 PolarHBondContact NH2-OE1 3.09Å; Y770-E774 PolarHBondContact O-N 2.69Å; G771-E774 PolarHBondContact O-N 2.62Å; I772-E774 VanDerWaalsContact C-N 3.33Å; I772-E774 PolarHBondContact O-N 2.83Å; E774-V776 PolarHBondContact O-N 2.87Å; E774-T777 CarbonylContact O-C 3.57Å; E774-T777 WeakPolarHBondContact O-CA 3.44Å; E774-T777 VanDerWaalsContact O-CB 3.3Å; E774-T777 WeakPolarHBondContact O-CB 3.38Å; E774-T777 PolarHBondContact O-N 3.48Å; E774-L778 HydrophobicContact CG-CD1 4.38Å; E774-L778 VanDerWaalsContact O-CG 3.3Å; E774-L778 WeakPolarHBondContact O-CG 3.16Å; E774-L778 PolarHBondContact O-N 3.31Å |
| 775 | A | 88.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V735 F747 F751 G771 I772 T777 L778 R779 | V735-A775 HydrophobicContact CG1-CB 3.81Å; F747-A775 HydrophobicContact CE1-CB 4.49Å; F747-A775 HydrophobicContact CZ-CB 3.95Å; F751-A775 HydrophobicContact CD2-CB 3.53Å; F751-A775 HydrophobicContact CE2-CB 4.06Å; G771-A775 PolarHBondContact O-N 3.26Å; I772-A775 PolarHBondContact O-N 2.7Å; A775-T777 PolarHBondContact O-N 3.3Å; A775-L778 PolarHBondContact O-N 3.14Å; A775-R779 PolarHBondContact O-N 3.12Å |
| 776 | V | 86.3 | Confident | 85.4 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.2 | -21.3 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | F751 I772 E774 P780 F783 F787 | F751-V776 HydrophobicContact CE2-CG2 4Å; F751-V776 HydrophobicContact CZ-CG2 4.25Å; I772-V776 HydrophobicContact CG2-CG2 4.43Å; I772-V776 WeakPolarHBondContact O-CB 3.45Å; I772-V776 WeakPolarHBondContact O-CG2 3.33Å; I772-V776 PolarHBondContact O-N 3.24Å; E774-V776 PolarHBondContact O-N 2.87Å; V776-P780 VanDerWaalsContact O-CA 3.24Å; V776-P780 WeakPolarHBondContact O-CA 3.3Å; V776-P780 WeakPolarHBondContact O-CB 3.43Å; V776-P780 VanDerWaalsContact O-CG 3.26Å; V776-P780 WeakPolarHBondContact O-CG 3.27Å; V776-F783 HydrophobicContact CG2-CB 3.86Å; V776-F787 HydrophobicContact CB-CD2 3.96Å; V776-F787 HydrophobicContact CB-CE2 4.1Å; V776-F787 HydrophobicContact CB-CG 4.23Å; V776-F787 HydrophobicContact CB-CZ 4.49Å; V776-F787 HydrophobicContact CG1-CB 4.1Å; V776-F787 HydrophobicContact CG1-CD1 3.74Å; V776-F787 HydrophobicContact CG1-CD2 3.87Å; V776-F787 HydrophobicContact CG1-CE1 3.92Å; V776-F787 HydrophobicContact CG1-CE2 4.05Å; V776-F787 HydrophobicContact CG1-CG 3.67Å; V776-F787 HydrophobicContact CG1-CZ 4.03Å; V776-F787 HydrophobicContact CG2-CB 3.88Å; V776-F787 HydrophobicContact CG2-CD2 3.63Å; V776-F787 HydrophobicContact CG2-CE2 4.23Å; V776-F787 HydrophobicContact CG2-CG 3.91Å |
| 777 | T | 84 | Confident | 85.1 | Confident | 46 Ų | 46 | 43 Ų | 43 | 28% | 0.282 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -77.4 | -32.1 | 171.8 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | V773 E774 A775 R829 | V773-T777 VanDerWaalsContact O-CB 3.31Å; V773-T777 WeakPolarHBondContact O-CB 3.19Å; V773-T777 PolarHBondContact O-N 2.64Å; V773-T777 PolarHBondContact O-OG1 3.5Å; E774-T777 CarbonylContact O-C 3.57Å; E774-T777 WeakPolarHBondContact O-CA 3.44Å; E774-T777 VanDerWaalsContact O-CB 3.3Å; E774-T777 WeakPolarHBondContact O-CB 3.38Å; E774-T777 PolarHBondContact O-N 3.48Å; A775-T777 PolarHBondContact O-N 3.3Å; T777-R829 VanDerWaalsContact CG2-NH2 3.32Å; T777-R829 VanDerWaalsContact OG1-CZ 3.27Å; T777-R829 PolarHBondContact OG1-NE 3.03Å; T777-R829 PolarHBondContact OG1-NH2 3.27Å |
| 778 | L | 86 | Confident | 84.7 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -82.3 | -39.4 | 179.5 | -63.4 | 163.2 | 0 | 0 | 0 | 111.5 | R736 H739 E774 A775 | R736-L778 HydrophobicContact CG-CD1 4.07Å; H739-L778 HydrophobicContact CB-CD1 3.77Å; E774-L778 HydrophobicContact CG-CD1 4.38Å; E774-L778 VanDerWaalsContact O-CG 3.3Å; E774-L778 WeakPolarHBondContact O-CG 3.16Å; E774-L778 PolarHBondContact O-N 3.31Å; A775-L778 PolarHBondContact O-N 3.14Å |
| 779 | R | 84.5 | Confident | 84.5 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | trans | -128.3 | 69.7 | 178.8 | -64.3 | -65.3 | -170.5 | 135.2 | -9.7 | 112.3 | H739 D744 F747 A775 Q781 F782 F783 | H739-R779 PolarHBondContact NE2-NE 3.4Å; D744-R779 VanDerWaalsContact CG-NH1 3.26Å; D744-R779 IonicContact OD1-CZ 2.77Å; D744-R779 IonicContact OD1-NE 2.7Å; D744-R779 PolarHBondContact OD1-NE 2.88Å; D744-R779 IonicContact OD1-NH1 2.71Å; D744-R779 PolarHBondContact OD1-NH1 3.46Å; D744-R779 VanDerWaalsContact OD1-NH1 3.1Å; D744-R779 IonicContact OD1-NH2 3.48Å; D744-R779 PolarHBondContact OD1-NH2 2.56Å; D744-R779 IonicContact OD2-CZ 2.86Å; D744-R779 IonicContact OD2-NH1 2.61Å; D744-R779 PolarHBondContact OD2-NH1 3.41Å; D744-R779 IonicContact OD2-NH2 2.65Å; D744-R779 PolarHBondContact OD2-NH2 3.11Å; F747-R779 HydrophobicContact CE1-CG 4.11Å; A775-R779 PolarHBondContact O-N 3.12Å; R779-Q781 PolarHBondContact O-N 3.46Å; R779-F782 HydrophobicContact CB-CD2 4Å; R779-F782 HydrophobicContact CG-CD2 4.47Å; R779-F782 PolarHBondContact O-N 3.37Å; R779-F783 HydrophobicContact CB-CD2 4.25Å; R779-F783 HydrophobicContact CB-CE2 4Å | ||
| 780 | P | 78.3 | Confident | 84.4 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 42% | 0.416 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 3.6 | -176.4 | -11.7 | 25.6 | 0 | 0 | 0 | 116 | V776 R784 | V776-P780 VanDerWaalsContact O-CA 3.24Å; V776-P780 WeakPolarHBondContact O-CA 3.3Å; V776-P780 WeakPolarHBondContact O-CB 3.43Å; V776-P780 VanDerWaalsContact O-CG 3.26Å; V776-P780 WeakPolarHBondContact O-CG 3.27Å; P780-R784 PolarHBondContact O-NH2 3.03Å |
| 781 | Q | 78 | Confident | 84.4 | Confident | 164 Ų | 164 | 44.9 Ų | 44.9 | 77% | 0.766 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -33.2 | -175.3 | -54.5 | -167.7 | 100.1 | 0 | 0 | 111.9 | R779 | R779-Q781 PolarHBondContact O-N 3.46Š|
| 782 | F | 79.1 | Confident | 84.2 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 46% | 0.461 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -52.3 | -174.5 | -69.7 | -102.5 | 0 | 0 | 0 | 111 | R779 R784 | R779-F782 HydrophobicContact CB-CD2 4Å; R779-F782 HydrophobicContact CG-CD2 4.47Å; R779-F782 PolarHBondContact O-N 3.37Å; F782-R784 PolarHBondContact O-N 2.7Å |
| 783 | F | 83 | Confident | 84.2 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -99.7 | 38.7 | -166.3 | -49.6 | -57.2 | 0 | 0 | 0 | 114.3 | F747 S748 F751 V776 R779 E786 F787 | F747-F783 HydrophobicContact CD1-CE2 4.3Å; F747-F783 HydrophobicContact CD1-CZ 4.4Å; F747-F783 AromaticContact CE1-CE2 3.95Å; F747-F783 HydrophobicContact CE1-CE2 3.95Å; F747-F783 HydrophobicContact CE1-CZ 4.48Å; S748-F783 WeakPolarHBondContact OG-CZ 3.49Å; F751-F783 HydrophobicContact CB-CE1 4.07Å; F751-F783 HydrophobicContact CB-CE2 4.37Å; F751-F783 HydrophobicContact CB-CZ 4Å; F751-F783 HydrophobicContact CD1-CB 4.22Å; F751-F783 AromaticContact CD1-CD1 3.26Å; F751-F783 HydrophobicContact CD1-CD1 3.26Å; F751-F783 HydrophobicContact CD1-CD2 4.34Å; F751-F783 AromaticContact CD1-CE1 3.6Å; F751-F783 HydrophobicContact CD1-CE1 3.6Å; F751-F783 AromaticContact CD1-CG 3.68Å; F751-F783 HydrophobicContact CD1-CG 3.68Å; F751-F783 HydrophobicContact CD1-CZ 4.27Å; F751-F783 HydrophobicContact CD2-CD2 4.2Å; F751-F783 HydrophobicContact CD2-CG 4.2Å; F751-F783 HydrophobicContact CE1-CB 3.65Å; F751-F783 AromaticContact CE1-CD1 3.51Å; F751-F783 HydrophobicContact CE1-CD1 3.51Å; F751-F783 HydrophobicContact CE1-CE1 4.31Å; F751-F783 AromaticContact CE1-CG 3.65Å; F751-F783 HydrophobicContact CE1-CG 3.65Å; F751-F783 HydrophobicContact CE2-CB 4.11Å; F751-F783 HydrophobicContact CE2-CD2 4.38Å; F751-F783 HydrophobicContact CE2-CG 4.14Å; F751-F783 AromaticContact CG-CD1 3.84Å; F751-F783 HydrophobicContact CG-CD1 3.84Å; F751-F783 HydrophobicContact CG-CD2 4.16Å; F751-F783 AromaticContact CG-CE1 3.91Å; F751-F783 HydrophobicContact CG-CE1 3.91Å; F751-F783 HydrophobicContact CG-CE2 4.23Å; F751-F783 AromaticContact CG-CG 3.97Å; F751-F783 HydrophobicContact CG-CG 3.97Å; F751-F783 HydrophobicContact CG-CZ 4.11Å; F751-F783 HydrophobicContact CZ-CB 3.59Å; F751-F783 HydrophobicContact CZ-CD1 4.23Å; F751-F783 AromaticContact CZ-CG 3.89Å; F751-F783 HydrophobicContact CZ-CG 3.89Å; V776-F783 HydrophobicContact CG2-CB 3.86Å; R779-F783 HydrophobicContact CB-CD2 4.25Å; R779-F783 HydrophobicContact CB-CE2 4Å; F783-E786 VanDerWaalsContact CA-OE2 3.23Å; F783-E786 WeakPolarHBondContact CA-OE2 3.4Å; F783-F787 VanDerWaalsContact O-CB 3.23Å; F783-F787 WeakPolarHBondContact O-CB 3.47Å; F783-F787 PolarHBondContact O-N 3.4Å |
| 784 | R | 76.8 | Confident | 84.3 | Confident | 126 Ų | 126 | 50.4 Ų | 50.4 | 48% | 0.475 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75 | -44 | -169.6 | -177.9 | 171 | -63.9 | -154.2 | 2 | 112.9 | P780 F782 E786 F787 E788 | P780-R784 PolarHBondContact O-NH2 3.03Å; F782-R784 PolarHBondContact O-N 2.7Å; R784-E786 PolarHBondContact N-OE2 3.08Å; R784-F787 PolarHBondContact O-N 3.11Å; R784-E788 WeakPolarHBondContact O-CG 3.33Å; R784-E788 PolarHBondContact O-N 3.34Å; R784-E788 VanDerWaalsContact O-N 3.09Å |
| 785 | E | 80.8 | Confident | 84.3 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 65% | 0.65 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -76.6 | -39.2 | -172.3 | -58 | -161.3 | 159.3 | 0 | 0 | 110.7 | F787 E788 N789 | E785-F787 VanDerWaalsContact C-N 3.27Å; E785-F787 PolarHBondContact O-N 3.2Å; E785-E788 PolarHBondContact O-N 3.16Å; E785-N789 WeakPolarHBondContact O-CB 3.26Å; E785-N789 PolarHBondContact O-N 3.36Å; E785-N789 PolarHBondContact O-ND2 3.08Å; E785-N789 VanDerWaalsContact O-ND2 3.15Å |
| 786 | E | 84.8 | Confident | 84.2 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 20% | 0.201 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -40.5 | 169.8 | -54.6 | 84.9 | 169.3 | 0 | 0 | 111 | F751 H752 Y755 F783 R784 N789 T790 | F751-E786 HydrophobicContact CE1-CB 3.92Å; F751-E786 HydrophobicContact CE1-CG 4.15Å; F751-E786 HydrophobicContact CZ-CB 4.13Å; H752-E786 IonicContact CE1-OE1 3.51Å; Y755-E786 HydrophobicContact CD2-CB 4.01Å; Y755-E786 HydrophobicContact CE1-CB 4.5Å; Y755-E786 HydrophobicContact CE1-CG 4.46Å; Y755-E786 HydrophobicContact CE2-CB 3.83Å; Y755-E786 VanDerWaalsContact CE2-O 3.3Å; Y755-E786 WeakPolarHBondContact CE2-O 3.39Å; Y755-E786 HydrophobicContact CG-CB 4.42Å; F783-E786 VanDerWaalsContact CA-OE2 3.23Å; F783-E786 WeakPolarHBondContact CA-OE2 3.4Å; R784-E786 PolarHBondContact N-OE2 3.08Å; E786-N789 PolarHBondContact O-N 3.25Å; E786-T790 WeakPolarHBondContact O-CB 3.36Å; E786-T790 PolarHBondContact O-N 3.12Å; E786-T790 PolarHBondContact O-OG1 2.92Å |
| 787 | F | 83 | Confident | 84.2 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -43 | 176.9 | -170 | -122.9 | 0 | 0 | 0 | 113 | I772 V773 V776 F783 R784 E785 T790 V791 F822 A826 L830 | I772-F787 HydrophobicContact CG2-CD2 3.95Å; I772-F787 HydrophobicContact CG2-CE2 4.39Å; V773-F787 HydrophobicContact CB-CE2 4.5Å; V773-F787 HydrophobicContact CG2-CE2 3.89Å; V773-F787 HydrophobicContact CG2-CZ 4.4Å; V776-F787 HydrophobicContact CB-CD2 3.96Å; V776-F787 HydrophobicContact CB-CE2 4.1Å; V776-F787 HydrophobicContact CB-CG 4.23Å; V776-F787 HydrophobicContact CB-CZ 4.49Å; V776-F787 HydrophobicContact CG1-CB 4.1Å; V776-F787 HydrophobicContact CG1-CD1 3.74Å; V776-F787 HydrophobicContact CG1-CD2 3.87Å; V776-F787 HydrophobicContact CG1-CE1 3.92Å; V776-F787 HydrophobicContact CG1-CE2 4.05Å; V776-F787 HydrophobicContact CG1-CG 3.67Å; V776-F787 HydrophobicContact CG1-CZ 4.03Å; V776-F787 HydrophobicContact CG2-CB 3.88Å; V776-F787 HydrophobicContact CG2-CD2 3.63Å; V776-F787 HydrophobicContact CG2-CE2 4.23Å; V776-F787 HydrophobicContact CG2-CG 3.91Å; F783-F787 VanDerWaalsContact O-CB 3.23Å; F783-F787 WeakPolarHBondContact O-CB 3.47Å; F783-F787 PolarHBondContact O-N 3.4Å; R784-F787 PolarHBondContact O-N 3.11Å; E785-F787 VanDerWaalsContact C-N 3.27Å; E785-F787 PolarHBondContact O-N 3.2Å; F787-T790 WeakPolarHBondContact O-CB 3.33Å; F787-T790 PolarHBondContact O-N 2.75Å; F787-V791 WeakPolarHBondContact O-CG2 2.99Å; F787-V791 PolarHBondContact O-N 3.1Å; F787-V791 VanDerWaalsContact O-N 3.08Å; F787-F822 HydrophobicContact CD2-CE2 4.41Å; F787-F822 HydrophobicContact CD2-CZ 4.36Å; F787-F822 AromaticContact CE2-CE2 3.92Å; F787-F822 HydrophobicContact CE2-CE2 3.92Å; F787-F822 HydrophobicContact CE2-CZ 4.04Å; F787-A826 HydrophobicContact CE1-CB 3.75Å; F787-A826 HydrophobicContact CE2-CB 4.02Å; F787-A826 HydrophobicContact CZ-CB 3.28Å; F787-L830 HydrophobicContact CD1-CD2 4.38Å |
| 788 | E | 81.1 | Confident | 84.4 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.5 | -71.8 | -179 | 152 | 0 | 0 | 111.3 | R784 E785 T790 V791 E792 L830 R834 | R784-E788 WeakPolarHBondContact O-CG 3.33Å; R784-E788 PolarHBondContact O-N 3.34Å; R784-E788 VanDerWaalsContact O-N 3.09Å; E785-E788 PolarHBondContact O-N 3.16Å; E788-T790 VanDerWaalsContact C-N 3.32Å; E788-T790 PolarHBondContact O-N 3.33Å; E788-V791 WeakPolarHBondContact O-CB 3.35Å; E788-V791 PolarHBondContact O-N 2.85Å; E788-V791 VanDerWaalsContact O-N 3.14Å; E788-E792 PolarHBondContact O-N 3.37Å; E788-E792 VanDerWaalsContact O-N 3.13Å; E788-L830 HydrophobicContact CG-CD2 3.77Å; E788-R834 VanDerWaalsContact CD-NH1 3.32Å; E788-R834 IonicContact OE1-CZ 3.3Å; E788-R834 IonicContact OE1-NE 3.29Å; E788-R834 IonicContact OE1-NH1 3.6Å; E788-R834 IonicContact OE2-CZ 3.96Å; E788-R834 IonicContact OE2-NE 3.35Å; E788-R834 IonicContact OE2-NH1 3.24Å; E788-R834 PolarHBondContact OE2-NH1 2.7Å; E788-R834 IonicContact OE2-NH2 2.89Å; E788-R834 PolarHBondContact OE2-NH2 3.41Å |
| 789 | N | 86.3 | Confident | 84.3 | Confident | 81 Ų | 81 | 55 Ų | 55 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 171.8 | -70.4 | -29.5 | 0 | 0 | 0 | 111.7 | Y755 E785 E786 V791 E792 C793 | Y755-N789 WeakPolarHBondContact OH-CB 3.38Å; E785-N789 WeakPolarHBondContact O-CB 3.26Å; E785-N789 PolarHBondContact O-N 3.36Å; E785-N789 PolarHBondContact O-ND2 3.08Å; E785-N789 VanDerWaalsContact O-ND2 3.15Å; E786-N789 PolarHBondContact O-N 3.25Å; N789-V791 VanDerWaalsContact C-N 3.31Å; N789-V791 PolarHBondContact O-N 3.06Å; N789-E792 PolarHBondContact O-N 3.36Å; N789-C793 WeakPolarHBondContact O-CB 3.49Å; N789-C793 PolarHBondContact O-N 3.44Å; N789-C793 PolarHBondContact O-SG 2.88Å; N789-C793 VanDerWaalsContact O-SG 3.38Å |
| 790 | T | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 174.3 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | Y755 F759 L769 I772 E786 F787 E788 A794 F822 | Y755-T790 WeakPolarHBondContact CE2-OG1 3.36Å; F759-T790 HydrophobicContact CE2-CG2 4.12Å; F759-T790 HydrophobicContact CZ-CG2 4.02Å; L769-T790 HydrophobicContact CD2-CG2 3.63Å; I772-T790 HydrophobicContact CD1-CG2 4.26Å; I772-T790 HydrophobicContact CG2-CG2 4.31Å; E786-T790 WeakPolarHBondContact O-CB 3.36Å; E786-T790 PolarHBondContact O-N 3.12Å; E786-T790 PolarHBondContact O-OG1 2.92Å; F787-T790 WeakPolarHBondContact O-CB 3.33Å; F787-T790 PolarHBondContact O-N 2.75Å; E788-T790 VanDerWaalsContact C-N 3.32Å; E788-T790 PolarHBondContact O-N 3.33Å; T790-A794 VanDerWaalsContact O-CB 3.23Å; T790-A794 WeakPolarHBondContact O-CB 3.41Å; T790-A794 PolarHBondContact O-N 3.24Å; T790-F822 HydrophobicContact CG2-CE1 4.39Å; T790-F822 HydrophobicContact CG2-CE2 3.64Å; T790-F822 HydrophobicContact CG2-CZ 3.5Å |
| 791 | V | 87.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.5 | 177 | 0 | 0 | 0 | 0 | 111.3 | F787 E788 N789 R795 F822 F823 A826 L827 T837 | F787-V791 WeakPolarHBondContact O-CG2 2.99Å; F787-V791 PolarHBondContact O-N 3.1Å; F787-V791 VanDerWaalsContact O-N 3.08Å; E788-V791 WeakPolarHBondContact O-CB 3.35Å; E788-V791 PolarHBondContact O-N 2.85Å; E788-V791 VanDerWaalsContact O-N 3.14Å; N789-V791 VanDerWaalsContact C-N 3.31Å; N789-V791 PolarHBondContact O-N 3.06Å; V791-R795 WeakPolarHBondContact O-CB 3.38Å; V791-R795 PolarHBondContact O-N 2.89Å; V791-F822 HydrophobicContact CB-CE1 4.37Å; V791-F822 HydrophobicContact CG2-CE1 3.73Å; V791-F822 HydrophobicContact CG2-CZ 3.96Å; V791-F823 HydrophobicContact CG1-CD1 4.35Å; V791-F823 HydrophobicContact CG1-CE1 4.19Å; V791-A826 HydrophobicContact CG2-CB 4.23Å; V791-L827 HydrophobicContact CG1-CD2 3.8Å; V791-T837 HydrophobicContact CG1-CG2 3.89Å |
| 792 | E | 86.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 179.1 | -68.2 | -67.4 | 137.8 | 0 | 0 | 111.7 | E788 N789 R795 A796 T837 | E788-E792 PolarHBondContact O-N 3.37Å; E788-E792 VanDerWaalsContact O-N 3.13Å; N789-E792 PolarHBondContact O-N 3.36Å; E792-R795 PolarHBondContact O-N 2.55Å; E792-R795 IonicContact OE1-CZ 3.5Å; E792-R795 IonicContact OE1-NH1 3.96Å; E792-R795 PolarHBondContact OE1-NH1 3.14Å; E792-R795 IonicContact OE1-NH2 2.76Å; E792-R795 IonicContact OE2-CZ 2.72Å; E792-R795 IonicContact OE2-NH1 2.66Å; E792-R795 PolarHBondContact OE2-NH1 3.33Å; E792-R795 IonicContact OE2-NH2 3.49Å; E792-R795 PolarHBondContact OE2-NH2 2.71Å; E792-A796 WeakPolarHBondContact O-CB 3.48Å; E792-A796 PolarHBondContact O-N 3.29Å; E792-T837 WeakPolarHBondContact OE1-CB 3.26Å; E792-T837 WeakPolarHBondContact OE1-CG2 3.39Å; E792-T837 PolarHBondContact OE1-OG1 3.32Å |
| 793 | C | 88 | Confident | 83.3 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.7 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | F759 N789 R795 A796 F797 | F759-C793 HydrophobicContact CD1-CB 4.28Å; F759-C793 HydrophobicContact CD2-CB 4.01Å; F759-C793 HydrophobicContact CE1-CB 3.84Å; F759-C793 HydrophobicContact CE2-CB 3.54Å; F759-C793 HydrophobicContact CG-CB 4.36Å; F759-C793 HydrophobicContact CZ-CB 3.45Å; F759-C793 VanDerWaalsContact CZ-CB 3.45Å; N789-C793 WeakPolarHBondContact O-CB 3.49Å; N789-C793 PolarHBondContact O-N 3.44Å; N789-C793 PolarHBondContact O-SG 2.88Å; N789-C793 VanDerWaalsContact O-SG 3.38Å; C793-R795 VanDerWaalsContact C-N 3.31Å; C793-R795 PolarHBondContact O-N 2.8Å; C793-A796 PolarHBondContact O-N 3.31Å; C793-F797 WeakPolarHBondContact O-CB 3.42Å; C793-F797 PolarHBondContact O-N 2.81Å |
| 794 | A | 89.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F759 T790 I798 F823 | F759-A794 HydrophobicContact CE1-CB 4.31Å; F759-A794 HydrophobicContact CZ-CB 4.29Å; T790-A794 VanDerWaalsContact O-CB 3.23Å; T790-A794 WeakPolarHBondContact O-CB 3.41Å; T790-A794 PolarHBondContact O-N 3.24Å; A794-I798 WeakPolarHBondContact O-CD1 3.32Å; A794-I798 WeakPolarHBondContact O-CG1 3.18Å; A794-I798 PolarHBondContact O-N 3.06Å; A794-F823 HydrophobicContact CB-CE1 3.92Å; A794-F823 HydrophobicContact CB-CZ 4.07Å |
| 795 | R | 89.1 | Confident | 82.2 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 173.9 | -164.1 | -175.4 | 73.1 | -125.3 | -6.8 | 111.6 | V791 E792 C793 N799 F823 L844 | V791-R795 WeakPolarHBondContact O-CB 3.38Å; V791-R795 PolarHBondContact O-N 2.89Å; E792-R795 PolarHBondContact O-N 2.55Å; E792-R795 IonicContact OE1-CZ 3.5Å; E792-R795 IonicContact OE1-NH1 3.96Å; E792-R795 PolarHBondContact OE1-NH1 3.14Å; E792-R795 IonicContact OE1-NH2 2.76Å; E792-R795 IonicContact OE2-CZ 2.72Å; E792-R795 IonicContact OE2-NH1 2.66Å; E792-R795 PolarHBondContact OE2-NH1 3.33Å; E792-R795 IonicContact OE2-NH2 3.49Å; E792-R795 PolarHBondContact OE2-NH2 2.71Å; C793-R795 VanDerWaalsContact C-N 3.31Å; C793-R795 PolarHBondContact O-N 2.8Å; R795-N799 WeakPolarHBondContact O-CB 3.19Å; R795-N799 PolarHBondContact O-N 2.8Å; R795-N799 PolarHBondContact O-ND2 2.97Å; R795-F823 HydrophobicContact CB-CZ 4.2Å; R795-L844 HydrophobicContact CG-CD2 3.82Å |
| 796 | A | 86.9 | Confident | 81.4 | Confident | 35 Ų | 35 | 59 Ų | 59 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E792 C793 N799 R800 | E792-A796 WeakPolarHBondContact O-CB 3.48Å; E792-A796 PolarHBondContact O-N 3.29Å; C793-A796 PolarHBondContact O-N 3.31Å; A796-N799 PolarHBondContact O-N 2.86Å; A796-R800 WeakPolarHBondContact O-CB 3.46Å; A796-R800 VanDerWaalsContact O-CG 3.3Å; A796-R800 WeakPolarHBondContact O-CG 3.46Å; A796-R800 PolarHBondContact O-N 3.5Å |
| 797 | F | 86.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 19% | 0.193 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -53.5 | 176.1 | -178.3 | -87.6 | 0 | 0 | 0 | 111.7 | E762 L765 C793 N799 R800 K801 T815 | E762-F797 HydrophobicContact CB-CZ 4.39Å; E762-F797 HydrophobicContact CG-CZ 4.35Å; L765-F797 HydrophobicContact CD2-CD1 4.06Å; L765-F797 HydrophobicContact CD2-CD2 4.13Å; L765-F797 HydrophobicContact CD2-CE1 3.83Å; L765-F797 HydrophobicContact CD2-CE2 3.89Å; L765-F797 HydrophobicContact CD2-CG 4.21Å; L765-F797 HydrophobicContact CD2-CZ 3.73Å; C793-F797 WeakPolarHBondContact O-CB 3.42Å; C793-F797 PolarHBondContact O-N 2.81Å; F797-N799 VanDerWaalsContact C-N 3.26Å; F797-N799 PolarHBondContact O-N 2.76Å; F797-R800 PolarHBondContact O-N 2.85Å; F797-R800 VanDerWaalsContact O-N 3.12Å; F797-K801 HydrophobicContact CE1-CD 4.14Å; F797-K801 HydrophobicContact CZ-CD 3.9Å; F797-K801 PolarHBondContact O-N 2.73Å; F797-T815 HydrophobicContact CE1-CG2 3.6Å; F797-T815 HydrophobicContact CZ-CG2 3.97Å |
| 798 | I | 86.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -34.8 | 179.5 | -63.9 | 162.2 | 0 | 0 | 0 | 112 | A794 V816 C819 F820 F823 L844 Y848 | A794-I798 WeakPolarHBondContact O-CD1 3.32Å; A794-I798 WeakPolarHBondContact O-CG1 3.18Å; A794-I798 PolarHBondContact O-N 3.06Å; I798-V816 HydrophobicContact CG1-CG2 4.46Å; I798-C819 HydrophobicContact CD1-CB 3.47Å; I798-C819 VanDerWaalsContact CD1-CB 3.47Å; I798-C819 HydrophobicContact CG1-CB 4.14Å; I798-F820 HydrophobicContact CD1-CD1 4.16Å; I798-F820 HydrophobicContact CD1-CE1 3.83Å; I798-F823 HydrophobicContact CD1-CE2 3.54Å; I798-F823 HydrophobicContact CD1-CZ 3.88Å; I798-L844 HydrophobicContact CB-CD2 4.31Å; I798-L844 HydrophobicContact CD1-CD2 4.32Å; I798-L844 HydrophobicContact CG2-CD1 4.27Å; I798-L844 HydrophobicContact CG2-CD2 4.1Å; I798-Y848 HydrophobicContact CG2-CE2 4.19Å; I798-Y848 WeakPolarHBondContact CG2-OH 3.44Å |
| 799 | N | 84 | Confident | 79.6 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.9 | -18.9 | 179.5 | -78.6 | -18.7 | 0 | 0 | 0 | 114.1 | R795 A796 F797 L844 | R795-N799 WeakPolarHBondContact O-CB 3.19Å; R795-N799 PolarHBondContact O-N 2.8Å; R795-N799 PolarHBondContact O-ND2 2.97Å; A796-N799 PolarHBondContact O-N 2.86Å; F797-N799 VanDerWaalsContact C-N 3.26Å; F797-N799 PolarHBondContact O-N 2.76Å; N799-L844 WeakPolarHBondContact OD1-CD1 3.46Å |
| 800 | R | 80 | Confident | 79.4 | Confident | 216 Ų | 216 | 64.8 Ų | 64.8 | 82% | 0.815 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -90.6 | -15.2 | 178 | -75 | 174 | 179.8 | 177.8 | 1.1 | 113.7 | A796 F797 | A796-R800 WeakPolarHBondContact O-CB 3.46Å; A796-R800 VanDerWaalsContact O-CG 3.3Å; A796-R800 WeakPolarHBondContact O-CG 3.46Å; A796-R800 PolarHBondContact O-N 3.5Å; F797-R800 PolarHBondContact O-N 2.85Å; F797-R800 VanDerWaalsContact O-N 3.12Å |
| 801 | K | 73.5 | Confident | 79 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | trans | -115.4 | 128.3 | -167.2 | -161.3 | 162.7 | -169.6 | 171.7 | 0 | 112.6 | E762 F797 F812 | E762-K801 WeakPolarHBondContact OE1-CE 3.12Å; E762-K801 IonicContact OE1-NZ 2.65Å; E762-K801 PolarHBondContact OE1-NZ 2.95Å; E762-K801 IonicContact OE2-NZ 2.7Å; E762-K801 PolarHBondContact OE2-NZ 2.7Å; F797-K801 HydrophobicContact CE1-CD 4.14Å; F797-K801 HydrophobicContact CZ-CD 3.9Å; F797-K801 PolarHBondContact O-N 2.73Å; K801-F812 HydrophobicContact CB-CE2 4.31Å; K801-F812 HydrophobicContact CD-CD2 4.29Å; K801-F812 HydrophobicContact CG-CD2 4.04Å; K801-F812 HydrophobicContact CG-CE2 4.18Å | ||
| 802 | E | 73.5 | Confident | 78.9 | Confident | 102 Ų | 102 | 70.1 Ų | 70.1 | 48% | 0.477 | 37% | 0.366 | S | S | . | . | trans | -125.5 | 144.7 | 179.3 | -54.7 | -162.8 | 139.4 | 0 | 0 | 109.6 | H854 W855 | E802-H854 IonicContact OE1-CE1 2.79Å; E802-H854 IonicContact OE2-CE1 3.78Å; E802-H854 IonicContact OE2-NE2 3.73Å; E802-W855 HydrophobicContact CB-CB 4.47Å; E802-W855 HydrophobicContact CB-CG 4.19Å; E802-W855 HydrophobicContact CG-CG 4.41Å; E802-W855 PolarHBondContact OE1-NE1 2.68Å | ||
| 803 | P | 73.3 | Confident | 78.9 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.039 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 130.5 | -176.7 | 27.9 | -33 | 0 | 0 | 0 | 111.9 | N809 F812 W855 N858 L859 | P803-N809 WeakPolarHBondContact CA-OD1 3.29Å; P803-N809 HydrophobicContact CB-CB 4.33Å; P803-N809 WeakPolarHBondContact CB-OD1 3.42Å; P803-F812 HydrophobicContact CB-CD1 4.03Å; P803-F812 HydrophobicContact CB-CE1 4.05Å; P803-F812 HydrophobicContact CG-CE1 4.07Å; P803-F812 HydrophobicContact CG-CZ 4.45Å; P803-W855 VanDerWaalsContact CD-CE3 3.41Å; P803-W855 HydrophobicContact CG-CB 4.3Å; P803-W855 HydrophobicContact CG-CD2 3.98Å; P803-W855 HydrophobicContact CG-CE3 3.39Å; P803-W855 HydrophobicContact CG-CG 4.38Å; P803-W855 HydrophobicContact CG-CZ3 4.01Å; P803-N858 HydrophobicContact CG-CB 4.41Å; P803-N858 PolarHBondContact O-ND2 3.24Å; P803-L859 HydrophobicContact CB-CD2 3.72Å; P803-L859 HydrophobicContact CB-CG 4.34Å; P803-L859 HydrophobicContact CG-CD1 4.49Å; P803-L859 HydrophobicContact CG-CD2 3.97Å; P803-L859 HydrophobicContact CG-CG 4.03Å |
| 804 | E | 71.3 | Confident | 78.8 | Confident | 134 Ų | 134 | 67.7 Ų | 67.7 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 154.1 | 178.2 | -74.5 | 179.4 | 176.8 | 0 | 0 | 112.3 | T807 N809 | E804-T807 VanDerWaalsContact CB-OG1 3.25Å; E804-T807 WeakPolarHBondContact CB-OG1 3.17Å; E804-T807 PolarHBondContact OE2-OG1 2.85Å; E804-N809 PolarHBondContact N-OD1 3.46Å; E804-N809 PolarHBondContact O-ND2 3.41Å |
| 805 | A | 65.2 | Low | 78.7 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -84 | 134.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T807 | A805-T807 VanDerWaalsContact C-N 3.32Å; A805-T807 PolarHBondContact O-N 3.37Å |
| 806 | N | 62.8 | Low | 78.8 | Confident | 172 Ų | 172 | 65.4 Ų | 65.4 | 92% | 0.92 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 71.5 | 8 | 177.2 | -44.2 | -62.1 | 0 | 0 | 0 | 116.8 | ||
| 807 | T | 65.5 | Low | 78.9 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -106.2 | 164.2 | 173.7 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | E804 A805 N809 | E804-T807 VanDerWaalsContact CB-OG1 3.25Å; E804-T807 WeakPolarHBondContact CB-OG1 3.17Å; E804-T807 PolarHBondContact OE2-OG1 2.85Å; A805-T807 VanDerWaalsContact C-N 3.32Å; A805-T807 PolarHBondContact O-N 3.37Å; T807-N809 PolarHBondContact O-N 2.75Å; T807-N809 PolarHBondContact O-ND2 2.72Å |
| 808 | S | 67.9 | Low | 79 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | trans | -78.4 | 93.6 | 179.1 | 166.4 | 0 | 0 | 0 | 0 | 110.5 | I810 | S808-I810 PolarHBondContact O-N 3.48Å; S808-I810 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 809 | N | 79.2 | Confident | 79.3 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.064 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 14.4 | -173.8 | -77.9 | -66 | 0 | 0 | 0 | 115.4 | P803 E804 T807 N811 F812 V813 L859 | P803-N809 WeakPolarHBondContact CA-OD1 3.29Å; P803-N809 HydrophobicContact CB-CB 4.33Å; P803-N809 WeakPolarHBondContact CB-OD1 3.42Å; E804-N809 PolarHBondContact N-OD1 3.46Å; E804-N809 PolarHBondContact O-ND2 3.41Å; T807-N809 PolarHBondContact O-N 2.75Å; T807-N809 PolarHBondContact O-ND2 2.72Å; N809-N811 PolarHBondContact O-N 2.92Å; N809-F812 PolarHBondContact O-N 3.44Å; N809-V813 WeakPolarHBondContact O-CG2 3.43Å; N809-V813 PolarHBondContact O-N 3.49Å; N809-L859 HydrophobicContact CB-CD2 3.63Å |
| 810 | I | 80.8 | Confident | 79.7 | Confident | 90 Ų | 90 | 59.6 Ų | 59.6 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.2 | -47.9 | -179.9 | -62.9 | 175.5 | 0 | 0 | 0 | 112 | S808 F812 V813 T814 | S808-I810 PolarHBondContact O-N 3.48Å; S808-I810 WeakPolarHBondContact OG-CD1 3.42Å; I810-F812 PolarHBondContact O-N 3.1Å; I810-V813 PolarHBondContact O-N 2.93Å; I810-T814 WeakPolarHBondContact O-CB 3.41Å; I810-T814 PolarHBondContact O-N 2.67Å; I810-T814 PolarHBondContact O-OG1 3.29Å; I810-T814 VanDerWaalsContact O-OG1 3.12Å |
| 811 | N | 80.4 | Confident | 80.1 | Confident | 104 Ų | 104 | 50.9 Ų | 50.9 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | -177.6 | -68.6 | 14 | 0 | 0 | 0 | 112 | N809 T814 T815 | N809-N811 PolarHBondContact O-N 2.92Å; N811-T814 PolarHBondContact O-N 3.46Å; N811-T815 WeakPolarHBondContact O-CB 3.34Å; N811-T815 PolarHBondContact O-N 2.92Å; N811-T815 PolarHBondContact O-OG1 3.44Å |
| 812 | F | 85.4 | Confident | 80.9 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 173.9 | 167.4 | -100.5 | 0 | 0 | 0 | 111.3 | K801 P803 N809 I810 T815 V816 W855 L859 | K801-F812 HydrophobicContact CB-CE2 4.31Å; K801-F812 HydrophobicContact CD-CD2 4.29Å; K801-F812 HydrophobicContact CG-CD2 4.04Å; K801-F812 HydrophobicContact CG-CE2 4.18Å; P803-F812 HydrophobicContact CB-CD1 4.03Å; P803-F812 HydrophobicContact CB-CE1 4.05Å; P803-F812 HydrophobicContact CG-CE1 4.07Å; P803-F812 HydrophobicContact CG-CZ 4.45Å; N809-F812 PolarHBondContact O-N 3.44Å; I810-F812 PolarHBondContact O-N 3.1Å; F812-T815 PolarHBondContact O-N 3.4Å; F812-V816 HydrophobicContact CD2-CG2 4.06Å; F812-V816 HydrophobicContact CE1-CG2 4.47Å; F812-V816 HydrophobicContact CE2-CG2 3.78Å; F812-V816 HydrophobicContact CZ-CG2 4.01Å; F812-V816 WeakPolarHBondContact O-CB 3.09Å; F812-V816 VanDerWaalsContact O-CG2 3.3Å; F812-V816 WeakPolarHBondContact O-CG2 3.18Å; F812-V816 PolarHBondContact O-N 3.39Å; F812-W855 HydrophobicContact CE1-CZ3 4.44Å; F812-W855 HydrophobicContact CZ-CH2 4.3Å; F812-W855 HydrophobicContact CZ-CZ3 4.49Å; F812-L859 HydrophobicContact CD1-CD2 4.49Å; F812-L859 HydrophobicContact CE1-CD1 4.48Å |
| 813 | V | 87.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -49.4 | 178.9 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | N809 I810 T815 V816 V817 L859 E863 Q866 L867 | N809-V813 WeakPolarHBondContact O-CG2 3.43Å; N809-V813 PolarHBondContact O-N 3.49Å; I810-V813 PolarHBondContact O-N 2.93Å; V813-T815 VanDerWaalsContact C-N 3.29Å; V813-T815 PolarHBondContact O-N 2.95Å; V813-V816 PolarHBondContact O-N 3.08Å; V813-V817 HydrophobicContact CG1-CG2 4.17Å; V813-V817 VanDerWaalsContact O-CB 3.28Å; V813-V817 WeakPolarHBondContact O-CB 3.35Å; V813-V817 WeakPolarHBondContact O-CG2 3.24Å; V813-V817 PolarHBondContact O-N 2.92Å; V813-L859 HydrophobicContact CG2-CD2 4.39Å; V813-E863 HydrophobicContact CG2-CB 3.86Å; V813-E863 HydrophobicContact CG2-CG 4.05Å; V813-Q866 HydrophobicContact CG1-CB 4.1Å; V813-Q866 VanDerWaalsContact CG1-OE1 3.32Å; V813-L867 HydrophobicContact CG1-CD2 4.32Å; V813-L867 HydrophobicContact CG1-CG 4.27Å; V813-L867 HydrophobicContact CG2-CD1 4.5Å |
| 814 | T | 86.2 | Confident | 82.2 | Confident | 63 Ų | 63 | 42.7 Ų | 42.7 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.7 | -44.1 | 176.8 | -64 | 0 | 0 | 0 | 0 | 111.6 | P766 I810 N811 V817 A818 | P766-T814 HydrophobicContact CG-CG2 4.49Å; I810-T814 WeakPolarHBondContact O-CB 3.41Å; I810-T814 PolarHBondContact O-N 2.67Å; I810-T814 PolarHBondContact O-OG1 3.29Å; I810-T814 VanDerWaalsContact O-OG1 3.12Å; N811-T814 PolarHBondContact O-N 3.46Å; T814-V817 PolarHBondContact O-N 3.1Å; T814-A818 WeakPolarHBondContact O-CB 3.49Å; T814-A818 PolarHBondContact O-N 2.82Å |
| 815 | T | 87.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.7 | -48.6 | -179.6 | -55.5 | 0 | 0 | 0 | 0 | 112 | E762 L765 F797 N811 F812 V813 V817 A818 C819 | E762-T815 HydrophobicContact CG-CG2 4.11Å; E762-T815 WeakPolarHBondContact CG-OG1 3.49Å; L765-T815 HydrophobicContact CD2-CG2 3.46Å; L765-T815 VanDerWaalsContact CD2-CG2 3.46Å; L765-T815 HydrophobicContact CG-CG2 4Å; F797-T815 HydrophobicContact CE1-CG2 3.6Å; F797-T815 HydrophobicContact CZ-CG2 3.97Å; N811-T815 WeakPolarHBondContact O-CB 3.34Å; N811-T815 PolarHBondContact O-N 2.92Å; N811-T815 PolarHBondContact O-OG1 3.44Å; F812-T815 PolarHBondContact O-N 3.4Å; V813-T815 VanDerWaalsContact C-N 3.29Å; V813-T815 PolarHBondContact O-N 2.95Å; T815-V817 VanDerWaalsContact C-N 3.3Å; T815-V817 PolarHBondContact O-N 3.17Å; T815-A818 WeakPolarHBondContact O-CB 3.46Å; T815-A818 PolarHBondContact O-N 3.22Å; T815-A818 VanDerWaalsContact O-N 3.1Å; T815-C819 PolarHBondContact O-N 3.43Å; T815-C819 PolarHBondContact O-SG 2.87Å |
| 816 | V | 90 | Very high | 83.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 176.6 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | I798 F812 V813 C819 F820 Y848 L867 | I798-V816 HydrophobicContact CG1-CG2 4.46Å; F812-V816 HydrophobicContact CD2-CG2 4.06Å; F812-V816 HydrophobicContact CE1-CG2 4.47Å; F812-V816 HydrophobicContact CE2-CG2 3.78Å; F812-V816 HydrophobicContact CZ-CG2 4.01Å; F812-V816 WeakPolarHBondContact O-CB 3.09Å; F812-V816 VanDerWaalsContact O-CG2 3.3Å; F812-V816 WeakPolarHBondContact O-CG2 3.18Å; F812-V816 PolarHBondContact O-N 3.39Å; V813-V816 PolarHBondContact O-N 3.08Å; V816-C819 PolarHBondContact O-N 3.48Å; V816-F820 HydrophobicContact CG1-CD1 4.34Å; V816-F820 HydrophobicContact CG1-CD2 4.14Å; V816-F820 HydrophobicContact CG1-CE1 3.84Å; V816-F820 HydrophobicContact CG1-CE2 3.59Å; V816-F820 HydrophobicContact CG1-CG 4.49Å; V816-F820 HydrophobicContact CG1-CZ 3.42Å; V816-F820 VanDerWaalsContact CG1-CZ 3.42Å; V816-F820 VanDerWaalsContact O-CG 3.25Å; V816-F820 WeakPolarHBondContact O-CG 3.26Å; V816-F820 PolarHBondContact O-N 3.36Å; V816-Y848 HydrophobicContact CG1-CE1 4.02Å; V816-L867 HydrophobicContact CB-CD2 3.9Å; V816-L867 HydrophobicContact CG1-CD2 3.6Å |
| 817 | V | 90.3 | Very high | 84.5 | Confident | 45 Ų | 45 | 27.7 Ų | 27.7 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 172.2 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | V813 T814 T815 F820 D821 L867 A870 | V813-V817 HydrophobicContact CG1-CG2 4.17Å; V813-V817 VanDerWaalsContact O-CB 3.28Å; V813-V817 WeakPolarHBondContact O-CB 3.35Å; V813-V817 WeakPolarHBondContact O-CG2 3.24Å; V813-V817 PolarHBondContact O-N 2.92Å; T814-V817 PolarHBondContact O-N 3.1Å; T815-V817 VanDerWaalsContact C-N 3.3Å; T815-V817 PolarHBondContact O-N 3.17Å; V817-F820 PolarHBondContact O-N 2.92Å; V817-D821 PolarHBondContact O-N 3.28Å; V817-L867 HydrophobicContact CG2-CD2 4.29Å; V817-A870 HydrophobicContact CB-CB 4.19Å; V817-A870 HydrophobicContact CG1-CB 3.99Å; V817-A870 HydrophobicContact CG2-CB 3.8Å |
| 818 | A | 88.8 | Confident | 85.1 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P766 T814 T815 F820 D821 F822 | P766-A818 HydrophobicContact CB-CB 3.83Å; P766-A818 HydrophobicContact CG-CB 4.34Å; T814-A818 WeakPolarHBondContact O-CB 3.49Å; T814-A818 PolarHBondContact O-N 2.82Å; T815-A818 WeakPolarHBondContact O-CB 3.46Å; T815-A818 PolarHBondContact O-N 3.22Å; T815-A818 VanDerWaalsContact O-N 3.1Å; A818-F820 VanDerWaalsContact C-N 3.31Å; A818-F820 PolarHBondContact O-N 3.25Å; A818-D821 PolarHBondContact O-N 3.33Å; A818-F822 VanDerWaalsContact O-CB 3.27Å; A818-F822 WeakPolarHBondContact O-CB 3.44Å; A818-F822 PolarHBondContact O-N 3.15Å |
| 819 | C | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.3 | -38.2 | 173.4 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | L769 I798 T815 V816 F822 F823 | L769-C819 HydrophobicContact CD1-CB 4.36Å; I798-C819 HydrophobicContact CD1-CB 3.47Å; I798-C819 VanDerWaalsContact CD1-CB 3.47Å; I798-C819 HydrophobicContact CG1-CB 4.14Å; T815-C819 PolarHBondContact O-N 3.43Å; T815-C819 PolarHBondContact O-SG 2.87Å; V816-C819 PolarHBondContact O-N 3.48Å; C819-F822 WeakPolarHBondContact O-CB 3.09Å; C819-F823 WeakPolarHBondContact O-CD2 3.34Å; C819-F823 WeakPolarHBondContact O-CG 3.43Å; C819-F823 PolarHBondContact O-N 2.79Å |
| 820 | F | 92.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.4 | -39.5 | 175.8 | -68 | -9.1 | 0 | 0 | 0 | 112.6 | I798 V816 V817 A818 F822 F823 G824 L845 Y848 L867 A870 A871 A874 | I798-F820 HydrophobicContact CD1-CD1 4.16Å; I798-F820 HydrophobicContact CD1-CE1 3.83Å; V816-F820 HydrophobicContact CG1-CD1 4.34Å; V816-F820 HydrophobicContact CG1-CD2 4.14Å; V816-F820 HydrophobicContact CG1-CE1 3.84Å; V816-F820 HydrophobicContact CG1-CE2 3.59Å; V816-F820 HydrophobicContact CG1-CG 4.49Å; V816-F820 HydrophobicContact CG1-CZ 3.42Å; V816-F820 VanDerWaalsContact CG1-CZ 3.42Å; V816-F820 VanDerWaalsContact O-CG 3.25Å; V816-F820 WeakPolarHBondContact O-CG 3.26Å; V816-F820 PolarHBondContact O-N 3.36Å; V817-F820 PolarHBondContact O-N 2.92Å; A818-F820 VanDerWaalsContact C-N 3.31Å; A818-F820 PolarHBondContact O-N 3.25Å; F820-F822 VanDerWaalsContact C-N 3.33Å; F820-F823 AromaticContact CD1-CD2 3.97Å; F820-F823 HydrophobicContact CD1-CD2 3.97Å; F820-F823 HydrophobicContact CD1-CE2 4.17Å; F820-F823 HydrophobicContact CE1-CE2 4.47Å; F820-F823 PolarHBondContact O-N 3.34Å; F820-G824 PolarHBondContact O-N 3.16Å; F820-L845 HydrophobicContact CB-CD2 4.12Å; F820-L845 HydrophobicContact CD1-CD2 3.52Å; F820-L845 HydrophobicContact CD2-CD2 4.19Å; F820-L845 HydrophobicContact CE1-CD2 3.91Å; F820-L845 HydrophobicContact CG-CD2 3.68Å; F820-L845 HydrophobicContact CZ-CD2 4.4Å; F820-Y848 AromaticContact CE2-CD1 3.7Å; F820-Y848 HydrophobicContact CE2-CD1 3.7Å; F820-Y848 HydrophobicContact CE2-CD2 4.44Å; F820-Y848 HydrophobicContact CE2-CE1 4.34Å; F820-Y848 AromaticContact CE2-CG 3.75Å; F820-Y848 HydrophobicContact CE2-CG 3.75Å; F820-Y848 AromaticContact CZ-CD1 3.58Å; F820-Y848 HydrophobicContact CZ-CD1 3.58Å; F820-Y848 AromaticContact CZ-CD2 3.7Å; F820-Y848 HydrophobicContact CZ-CD2 3.7Å; F820-Y848 AromaticContact CZ-CE1 3.92Å; F820-Y848 HydrophobicContact CZ-CE1 3.92Å; F820-Y848 HydrophobicContact CZ-CE2 4.06Å; F820-Y848 AromaticContact CZ-CG 3.46Å; F820-Y848 HydrophobicContact CZ-CG 3.46Å; F820-Y848 VanDerWaalsContact CZ-CG 3.46Å; F820-L867 HydrophobicContact CE2-CD2 4.49Å; F820-A870 HydrophobicContact CB-CB 4.2Å; F820-A870 HydrophobicContact CD2-CB 4.04Å; F820-A871 HydrophobicContact CD2-CB 3.88Å; F820-A871 HydrophobicContact CE2-CB 3.87Å; F820-A874 VanDerWaalsContact O-CB 3.24Å; F820-A874 WeakPolarHBondContact O-CB 3.36Å |
| 821 | D | 88.5 | Confident | 84.6 | Confident | 32 Ų | 32 | 25.9 Ų | 25.9 | 17% | 0.171 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -37.6 | 175.2 | -166.1 | 71.8 | 0 | 0 | 0 | 111.7 | V817 A818 G824 K825 K877 | V817-D821 PolarHBondContact O-N 3.28Å; A818-D821 PolarHBondContact O-N 3.33Å; D821-G824 PolarHBondContact O-N 2.87Å; D821-K825 WeakPolarHBondContact O-CG 3.17Å; D821-K825 PolarHBondContact O-N 2.8Å; D821-K825 VanDerWaalsContact O-N 3.13Å; D821-K825 WeakPolarHBondContact OD2-CE 3.32Å; D821-K825 IonicContact OD2-NZ 2.7Å; D821-K825 PolarHBondContact OD2-NZ 3.02Å; D821-K877 VanDerWaalsContact CG-NZ 3.3Å; D821-K877 PolarHBondContact O-NZ 2.66Å; D821-K877 IonicContact OD1-NZ 2.98Å; D821-K877 PolarHBondContact OD1-NZ 2.91Å; D821-K877 IonicContact OD2-NZ 2.9Å |
| 822 | F | 89.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.2 | -59.2 | 166.9 | 170.1 | -84.6 | 0 | 0 | 0 | 111 | L769 I772 V773 F787 T790 V791 A818 C819 F820 G824 K825 A826 | L769-F822 HydrophobicContact CB-CB 4.3Å; L769-F822 HydrophobicContact CB-CD2 3.9Å; L769-F822 HydrophobicContact CB-CG 4.39Å; L769-F822 HydrophobicContact CD1-CB 4.26Å; L769-F822 HydrophobicContact CD1-CG 4.44Å; L769-F822 HydrophobicContact CD2-CD1 4.49Å; L769-F822 HydrophobicContact CD2-CD2 3.56Å; L769-F822 HydrophobicContact CD2-CE2 3.79Å; L769-F822 HydrophobicContact CD2-CG 4Å; L769-F822 HydrophobicContact CD2-CZ 4.38Å; L769-F822 HydrophobicContact CG-CD2 4.2Å; I772-F822 HydrophobicContact CG2-CE2 4.48Å; V773-F822 HydrophobicContact CG2-CD2 3.11Å; V773-F822 HydrophobicContact CG2-CE2 3.4Å; V773-F822 HydrophobicContact CG2-CG 4.04Å; V773-F822 HydrophobicContact CG2-CZ 4.49Å; F787-F822 HydrophobicContact CD2-CE2 4.41Å; F787-F822 HydrophobicContact CD2-CZ 4.36Å; F787-F822 AromaticContact CE2-CE2 3.92Å; F787-F822 HydrophobicContact CE2-CE2 3.92Å; F787-F822 HydrophobicContact CE2-CZ 4.04Å; T790-F822 HydrophobicContact CG2-CE1 4.39Å; T790-F822 HydrophobicContact CG2-CE2 3.64Å; T790-F822 HydrophobicContact CG2-CZ 3.5Å; V791-F822 HydrophobicContact CB-CE1 4.37Å; V791-F822 HydrophobicContact CG2-CE1 3.73Å; V791-F822 HydrophobicContact CG2-CZ 3.96Å; A818-F822 VanDerWaalsContact O-CB 3.27Å; A818-F822 WeakPolarHBondContact O-CB 3.44Å; A818-F822 PolarHBondContact O-N 3.15Å; C819-F822 WeakPolarHBondContact O-CB 3.09Å; F820-F822 VanDerWaalsContact C-N 3.33Å; F822-G824 VanDerWaalsContact C-N 3.27Å; F822-G824 PolarHBondContact O-N 3.06Å; F822-K825 CarbonylContact O-C 3.58Å; F822-K825 WeakPolarHBondContact O-CA 3.39Å; F822-K825 WeakPolarHBondContact O-CB 3.36Å; F822-K825 PolarHBondContact O-N 2.75Å; F822-A826 HydrophobicContact CD1-CB 4.3Å; F822-A826 HydrophobicContact CE1-CB 3.96Å; F822-A826 HydrophobicContact CZ-CB 4.08Å; F822-A826 VanDerWaalsContact O-CB 3.3Å; F822-A826 WeakPolarHBondContact O-CB 3.28Å; F822-A826 PolarHBondContact O-N 2.9Å |
| 823 | F | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.5 | -43.7 | 179.3 | -69.4 | -30.7 | 0 | 0 | 0 | 112.1 | V791 A794 R795 I798 C819 F820 K825 A826 L827 L844 L845 | V791-F823 HydrophobicContact CG1-CD1 4.35Å; V791-F823 HydrophobicContact CG1-CE1 4.19Å; A794-F823 HydrophobicContact CB-CE1 3.92Å; A794-F823 HydrophobicContact CB-CZ 4.07Å; R795-F823 HydrophobicContact CB-CZ 4.2Å; I798-F823 HydrophobicContact CD1-CE2 3.54Å; I798-F823 HydrophobicContact CD1-CZ 3.88Å; C819-F823 WeakPolarHBondContact O-CD2 3.34Å; C819-F823 WeakPolarHBondContact O-CG 3.43Å; C819-F823 PolarHBondContact O-N 2.79Å; F820-F823 AromaticContact CD1-CD2 3.97Å; F820-F823 HydrophobicContact CD1-CD2 3.97Å; F820-F823 HydrophobicContact CD1-CE2 4.17Å; F820-F823 HydrophobicContact CE1-CE2 4.47Å; F820-F823 PolarHBondContact O-N 3.34Å; F823-K825 PolarHBondContact O-N 3.2Å; F823-A826 PolarHBondContact O-N 3.28Å; F823-L827 HydrophobicContact CB-CD1 3.84Å; F823-L827 HydrophobicContact CB-CG 4.33Å; F823-L827 HydrophobicContact CG-CD1 4.36Å; F823-L827 WeakPolarHBondContact O-CB 3.5Å; F823-L827 WeakPolarHBondContact O-CG 3.28Å; F823-L827 PolarHBondContact O-N 3.47Å; F823-L844 HydrophobicContact CE2-CD2 4.28Å; F823-L845 HydrophobicContact CD2-CD2 4.43Å |
| 824 | G | 85.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -21.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F820 D821 F822 K877 | F820-G824 PolarHBondContact O-N 3.16Å; D821-G824 PolarHBondContact O-N 2.87Å; F822-G824 VanDerWaalsContact C-N 3.27Å; F822-G824 PolarHBondContact O-N 3.06Å; G824-K877 VanDerWaalsContact C-CD 3.44Å; G824-K877 WeakPolarHBondContact O-CB 3.48Å; G824-K877 WeakPolarHBondContact O-CD 3.36Å |
| 825 | K | 83.8 | Confident | 80.1 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -88.7 | -44.4 | 169.9 | -67.4 | 158.7 | 171.6 | 156.4 | 0 | 110.9 | V773 D821 F822 F823 R829 | V773-K825 HydrophobicContact CB-CD 4.46Å; V773-K825 HydrophobicContact CG1-CB 3.65Å; V773-K825 HydrophobicContact CG1-CD 3.75Å; V773-K825 HydrophobicContact CG1-CG 4.25Å; D821-K825 WeakPolarHBondContact O-CG 3.17Å; D821-K825 PolarHBondContact O-N 2.8Å; D821-K825 VanDerWaalsContact O-N 3.13Å; D821-K825 WeakPolarHBondContact OD2-CE 3.32Å; D821-K825 IonicContact OD2-NZ 2.7Å; D821-K825 PolarHBondContact OD2-NZ 3.02Å; F822-K825 CarbonylContact O-C 3.58Å; F822-K825 WeakPolarHBondContact O-CA 3.39Å; F822-K825 WeakPolarHBondContact O-CB 3.36Å; F822-K825 PolarHBondContact O-N 2.75Å; F823-K825 PolarHBondContact O-N 3.2Å; K825-R829 PolarHBondContact O-NH1 3.48Å |
| 826 | A | 81.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.9 | -51.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F787 V791 F822 F823 V828 R829 | F787-A826 HydrophobicContact CE1-CB 3.75Å; F787-A826 HydrophobicContact CE2-CB 4.02Å; F787-A826 HydrophobicContact CZ-CB 3.28Å; V791-A826 HydrophobicContact CG2-CB 4.23Å; F822-A826 HydrophobicContact CD1-CB 4.3Å; F822-A826 HydrophobicContact CE1-CB 3.96Å; F822-A826 HydrophobicContact CZ-CB 4.08Å; F822-A826 VanDerWaalsContact O-CB 3.3Å; F822-A826 WeakPolarHBondContact O-CB 3.28Å; F822-A826 PolarHBondContact O-N 2.9Å; F823-A826 PolarHBondContact O-N 3.28Å; A826-V828 PolarHBondContact O-N 3.12Å; A826-R829 WeakPolarHBondContact O-CB 3.46Å; A826-R829 PolarHBondContact O-N 2.78Å |
| 827 | L | 81.6 | Confident | 79.2 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.1 | -173.9 | -60.7 | 172.7 | 0 | 0 | 0 | 113.3 | V791 F823 R829 L830 V838 C841 L878 | V791-L827 HydrophobicContact CG1-CD2 3.8Å; F823-L827 HydrophobicContact CB-CD1 3.84Å; F823-L827 HydrophobicContact CB-CG 4.33Å; F823-L827 HydrophobicContact CG-CD1 4.36Å; F823-L827 WeakPolarHBondContact O-CB 3.5Å; F823-L827 WeakPolarHBondContact O-CG 3.28Å; F823-L827 PolarHBondContact O-N 3.47Å; L827-R829 VanDerWaalsContact C-N 3.28Å; L827-L830 HydrophobicContact CD2-CD1 3.83Å; L827-V838 HydrophobicContact CD2-CG2 4.36Å; L827-C841 HydrophobicContact CD1-CB 3.54Å; L827-C841 HydrophobicContact CD2-CB 4.38Å; L827-L878 HydrophobicContact CB-CD2 3.68Å; L827-L878 HydrophobicContact CD1-CD1 4.23Å |
| 828 | V | 77.6 | Confident | 78.8 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 26% | 0.255 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.5 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | A826 L878 | A826-V828 PolarHBondContact O-N 3.12Å; V828-L878 HydrophobicContact CG2-CD2 4.17Å; V828-L878 HydrophobicContact CG2-CG 4.44Å |
| 829 | R | 74.7 | Confident | 78.5 | Confident | 116 Ų | 116 | 45.1 Ų | 45.1 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -14.2 | -179 | -64.4 | 165.3 | 166.7 | 58.9 | -0.1 | 113.7 | T777 K825 A826 L827 | T777-R829 VanDerWaalsContact CG2-NH2 3.32Å; T777-R829 VanDerWaalsContact OG1-CZ 3.27Å; T777-R829 PolarHBondContact OG1-NE 3.03Å; T777-R829 PolarHBondContact OG1-NH2 3.27Å; K825-R829 PolarHBondContact O-NH1 3.48Å; A826-R829 WeakPolarHBondContact O-CB 3.46Å; A826-R829 PolarHBondContact O-N 2.78Å; L827-R829 VanDerWaalsContact C-N 3.28Å |
| 830 | L | 73.9 | Confident | 78.2 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -72.5 | 147.6 | -177.1 | -65.9 | -178.4 | 0 | 0 | 0 | 112.4 | F787 E788 L827 V838 | F787-L830 HydrophobicContact CD1-CD2 4.38Å; E788-L830 HydrophobicContact CG-CD2 3.77Å; L827-L830 HydrophobicContact CD2-CD1 3.83Å; L830-V838 HydrophobicContact CD1-CG2 4.32Å |
| 831 | P | 67.9 | Low | 78 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 25% | 0.253 | 24% | 0.239 | S | C | . | . | trans | -69.6 | 157.7 | 175.3 | 30.4 | -35.3 | 0 | 0 | 0 | 112.3 | E833 | P831-E833 VanDerWaalsContact C-N 3.27Å; P831-E833 PolarHBondContact O-N 3.05Å | ||
| 832 | K | 61.8 | Low | 78 | Confident | 145 Ų | 145 | 46.1 Ų | 46.1 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -65.6 | -26.5 | -173.8 | -69.7 | 172 | -177.2 | 160 | 0 | 114.1 | R834 | K832-R834 PolarHBondContact O-N 2.75Å; K832-R834 VanDerWaalsContact O-N 3.16Å |
| 833 | E | 58.5 | Low | 77.9 | Confident | 164 Ų | 164 | 52.7 Ų | 52.7 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -60.9 | -24.1 | -175.7 | -65.4 | 92.5 | -116.9 | 0 | 0 | 113.1 | P831 S835 | P831-E833 VanDerWaalsContact C-N 3.27Å; P831-E833 PolarHBondContact O-N 3.05Å; E833-S835 PolarHBondContact O-N 2.71Å |
| 834 | R | 60.7 | Low | 77.9 | Confident | 122 Ų | 122 | 53.3 Ų | 53.3 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -101.8 | 48.7 | -177.5 | -61.3 | -164.4 | -178.7 | -179.3 | 16.6 | 114.1 | E788 K832 S836 | E788-R834 VanDerWaalsContact CD-NH1 3.32Å; E788-R834 IonicContact OE1-CZ 3.3Å; E788-R834 IonicContact OE1-NE 3.29Å; E788-R834 IonicContact OE1-NH1 3.6Å; E788-R834 IonicContact OE2-CZ 3.96Å; E788-R834 IonicContact OE2-NE 3.35Å; E788-R834 IonicContact OE2-NH1 3.24Å; E788-R834 PolarHBondContact OE2-NH1 2.7Å; E788-R834 IonicContact OE2-NH2 2.89Å; E788-R834 PolarHBondContact OE2-NH2 3.41Å; K832-R834 PolarHBondContact O-N 2.75Å; K832-R834 VanDerWaalsContact O-N 3.16Å; R834-S836 VanDerWaalsContact C-N 3.27Å; R834-S836 PolarHBondContact O-N 2.89Å |
| 835 | S | 65.7 | Low | 78.2 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -49.6 | -44.5 | 177.4 | -164.8 | 0 | 0 | 0 | 0 | 113 | E833 T837 V838 D839 H886 | E833-S835 PolarHBondContact O-N 2.71Å; S835-T837 PolarHBondContact O-N 3.07Å; S835-V838 CarbonylContact O-C 3.3Å; S835-V838 WeakPolarHBondContact O-CB 3.4Å; S835-V838 PolarHBondContact O-N 3.42Å; S835-D839 WeakPolarHBondContact O-CB 3.39Å; S835-D839 PolarHBondContact O-N 3.49Å; S835-D839 PolarHBondContact OG-OD2 3.17Å; S835-H886 PolarHBondContact OG-CE1 3.22Å; S835-H886 VanDerWaalsContact OG-CE1 3.25Å |
| 836 | S | 78.6 | Confident | 78.5 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 57% | 0.573 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | -172.2 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | R834 S840 | R834-S836 VanDerWaalsContact C-N 3.27Å; R834-S836 PolarHBondContact O-N 2.89Å; S836-S840 VanDerWaalsContact O-CB 3.32Å; S836-S840 WeakPolarHBondContact O-CB 3.12Å; S836-S840 PolarHBondContact O-N 3.26Å; S836-S840 PolarHBondContact O-OG 3.29Å |
| 837 | T | 79.9 | Confident | 78.9 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 174.4 | -70.3 | 0 | 0 | 0 | 0 | 110.8 | V791 E792 S835 S840 C841 | V791-T837 HydrophobicContact CG1-CG2 3.89Å; E792-T837 WeakPolarHBondContact OE1-CB 3.26Å; E792-T837 WeakPolarHBondContact OE1-CG2 3.39Å; E792-T837 PolarHBondContact OE1-OG1 3.32Å; S835-T837 PolarHBondContact O-N 3.07Å; T837-S840 PolarHBondContact O-N 3.31Å; T837-C841 PolarHBondContact O-N 3.13Å; T837-C841 PolarHBondContact O-SG 3.12Å; T837-C841 VanDerWaalsContact O-SG 3.41Å |
| 838 | V | 80.2 | Confident | 79.3 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | L827 L830 S835 S840 C841 V842 L878 H886 | L827-V838 HydrophobicContact CD2-CG2 4.36Å; L830-V838 HydrophobicContact CD1-CG2 4.32Å; S835-V838 CarbonylContact O-C 3.3Å; S835-V838 WeakPolarHBondContact O-CB 3.4Å; S835-V838 PolarHBondContact O-N 3.42Å; V838-S840 VanDerWaalsContact C-N 3.34Å; V838-S840 PolarHBondContact O-N 2.95Å; V838-C841 PolarHBondContact O-N 2.88Å; V838-V842 HydrophobicContact CG1-CG2 4.4Å; V838-V842 WeakPolarHBondContact O-CB 3.22Å; V838-V842 VanDerWaalsContact O-CG2 3.29Å; V838-V842 WeakPolarHBondContact O-CG2 3.47Å; V838-V842 PolarHBondContact O-N 2.77Å; V838-L878 HydrophobicContact CG1-CD2 4.46Å; V838-H886 VanDerWaalsContact CG1-CD2 3.46Å; V838-H886 WeakPolarHBondContact CG1-CD2 3.47Å |
| 839 | D | 82.9 | Confident | 79.9 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 176.2 | -72.6 | -54.1 | 0 | 0 | 0 | 111.4 | S835 V842 Q843 H886 | S835-D839 WeakPolarHBondContact O-CB 3.39Å; S835-D839 PolarHBondContact O-N 3.49Å; S835-D839 PolarHBondContact OG-OD2 3.17Å; D839-V842 PolarHBondContact O-N 2.99Å; D839-Q843 VanDerWaalsContact O-CG 3.31Å; D839-Q843 WeakPolarHBondContact O-CG 3.41Å; D839-Q843 PolarHBondContact O-N 3.23Å; D839-H886 VanDerWaalsContact CG-ND1 3.27Å; D839-H886 WeakPolarHBondContact OD1-CB 3.41Å; D839-H886 IonicContact OD1-CE1 2.65Å; D839-H886 IonicContact OD1-CG 3.73Å; D839-H886 IonicContact OD1-ND1 2.78Å; D839-H886 PolarHBondContact OD1-ND1 3.5Å; D839-H886 IonicContact OD2-CE1 3.12Å; D839-H886 IonicContact OD2-ND1 3.94Å; D839-H886 PolarHBondContact OD2-ND1 2.97Å |
| 840 | S | 86.5 | Confident | 80.2 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | S836 T837 V838 Q843 L844 | S836-S840 VanDerWaalsContact O-CB 3.32Å; S836-S840 WeakPolarHBondContact O-CB 3.12Å; S836-S840 PolarHBondContact O-N 3.26Å; S836-S840 PolarHBondContact O-OG 3.29Å; T837-S840 PolarHBondContact O-N 3.31Å; V838-S840 VanDerWaalsContact C-N 3.34Å; V838-S840 PolarHBondContact O-N 2.95Å; S840-Q843 PolarHBondContact O-N 3Å; S840-L844 PolarHBondContact O-N 2.72Å |
| 841 | C | 88.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.9 | -34.1 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | L827 T837 V838 L844 L845 | L827-C841 HydrophobicContact CD1-CB 3.54Å; L827-C841 HydrophobicContact CD2-CB 4.38Å; T837-C841 PolarHBondContact O-N 3.13Å; T837-C841 PolarHBondContact O-SG 3.12Å; T837-C841 VanDerWaalsContact O-SG 3.41Å; V838-C841 PolarHBondContact O-N 2.88Å; C841-L844 PolarHBondContact O-N 2.75Å; C841-L845 WeakPolarHBondContact O-CB 3.32Å; C841-L845 VanDerWaalsContact O-CG 3.24Å; C841-L845 WeakPolarHBondContact O-CG 3.3Å; C841-L845 PolarHBondContact O-N 3.43Å |
| 842 | V | 88 | Confident | 80.8 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 173.8 | 166.2 | 0 | 0 | 0 | 0 | 111.5 | V838 D839 S846 L875 L878 H886 L891 | V838-V842 HydrophobicContact CG1-CG2 4.4Å; V838-V842 WeakPolarHBondContact O-CB 3.22Å; V838-V842 VanDerWaalsContact O-CG2 3.29Å; V838-V842 WeakPolarHBondContact O-CG2 3.47Å; V838-V842 PolarHBondContact O-N 2.77Å; D839-V842 PolarHBondContact O-N 2.99Å; V842-S846 VanDerWaalsContact O-CB 3.29Å; V842-S846 WeakPolarHBondContact O-CB 3.21Å; V842-S846 PolarHBondContact O-N 3.08Å; V842-L875 HydrophobicContact CG1-CD2 4.21Å; V842-L875 HydrophobicContact CG2-CD2 4.24Å; V842-L878 HydrophobicContact CG2-CD1 3.9Å; V842-H886 HydrophobicContact CB-CB 4.49Å; V842-H886 HydrophobicContact CG1-CB 4.46Å; V842-H886 HydrophobicContact CG2-CB 4.05Å; V842-L891 HydrophobicContact CG1-CD2 3.59Å |
| 843 | Q | 88.4 | Confident | 81.5 | Confident | 139 Ų | 139 | 49.2 Ų | 49.2 | 65% | 0.65 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 172.2 | -71.6 | 175.5 | 34.4 | 0 | 0 | 111.4 | D839 S840 S846 S847 | D839-Q843 VanDerWaalsContact O-CG 3.31Å; D839-Q843 WeakPolarHBondContact O-CG 3.41Å; D839-Q843 PolarHBondContact O-N 3.23Å; S840-Q843 PolarHBondContact O-N 3Å; Q843-S846 WeakPolarHBondContact O-CB 3.25Å; Q843-S846 PolarHBondContact O-N 3.36Å; Q843-S847 PolarHBondContact O-N 2.89Å |
| 844 | L | 89.7 | Confident | 82.1 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.2 | -54.9 | 175.4 | -179.9 | 59.2 | 0 | 0 | 0 | 110.8 | R795 I798 N799 F823 S840 C841 S846 S847 Y848 | R795-L844 HydrophobicContact CG-CD2 3.82Å; I798-L844 HydrophobicContact CB-CD2 4.31Å; I798-L844 HydrophobicContact CD1-CD2 4.32Å; I798-L844 HydrophobicContact CG2-CD1 4.27Å; I798-L844 HydrophobicContact CG2-CD2 4.1Å; N799-L844 WeakPolarHBondContact OD1-CD1 3.46Å; F823-L844 HydrophobicContact CE2-CD2 4.28Å; S840-L844 PolarHBondContact O-N 2.72Å; C841-L844 PolarHBondContact O-N 2.75Å; L844-S846 VanDerWaalsContact C-N 3.26Å; L844-S846 PolarHBondContact O-N 3.14Å; L844-S847 PolarHBondContact O-N 2.62Å; L844-S847 PolarHBondContact O-OG 3.09Å; L844-Y848 HydrophobicContact CD1-CD2 4.28Å; L844-Y848 HydrophobicContact CD1-CE2 3.77Å; L844-Y848 WeakPolarHBondContact O-CD2 3.42Å; L844-Y848 PolarHBondContact O-N 3.14Å |
| 845 | L | 91.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.3 | -38.6 | 176.8 | -70.9 | 166.5 | 0 | 0 | 0 | 112 | F820 F823 C841 S847 Y848 L849 A871 A874 L875 L878 | F820-L845 HydrophobicContact CB-CD2 4.12Å; F820-L845 HydrophobicContact CD1-CD2 3.52Å; F820-L845 HydrophobicContact CD2-CD2 4.19Å; F820-L845 HydrophobicContact CE1-CD2 3.91Å; F820-L845 HydrophobicContact CG-CD2 3.68Å; F820-L845 HydrophobicContact CZ-CD2 4.4Å; F823-L845 HydrophobicContact CD2-CD2 4.43Å; C841-L845 WeakPolarHBondContact O-CB 3.32Å; C841-L845 VanDerWaalsContact O-CG 3.24Å; C841-L845 WeakPolarHBondContact O-CG 3.3Å; C841-L845 PolarHBondContact O-N 3.43Å; L845-S847 VanDerWaalsContact C-N 3.29Å; L845-S847 PolarHBondContact O-N 3.07Å; L845-Y848 PolarHBondContact O-N 3.36Å; L845-L849 PolarHBondContact O-N 3.29Å; L845-A871 HydrophobicContact CD2-CB 4.15Å; L845-A874 HydrophobicContact CD1-CB 3.99Å; L845-A874 HydrophobicContact CD2-CB 3.91Å; L845-L875 HydrophobicContact CB-CD1 3.97Å; L845-L875 HydrophobicContact CB-CD2 3.95Å; L845-L875 HydrophobicContact CB-CG 3.88Å; L845-L875 HydrophobicContact CD1-CD2 4.01Å; L845-L875 HydrophobicContact CD1-CG 4.2Å; L845-L878 HydrophobicContact CD1-CD1 4.14Å |
| 846 | S | 90.4 | Very high | 83.4 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -26 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | V842 Q843 L844 L891 | V842-S846 VanDerWaalsContact O-CB 3.29Å; V842-S846 WeakPolarHBondContact O-CB 3.21Å; V842-S846 PolarHBondContact O-N 3.08Å; Q843-S846 WeakPolarHBondContact O-CB 3.25Å; Q843-S846 PolarHBondContact O-N 3.36Å; L844-S846 VanDerWaalsContact C-N 3.26Å; L844-S846 PolarHBondContact O-N 3.14Å; S846-L891 WeakPolarHBondContact OG-CD1 3.43Å |
| 847 | S | 89.5 | Confident | 83.4 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.5 | -31.3 | 175.4 | 73.5 | 0 | 0 | 0 | 0 | 112.1 | Q843 L844 L845 L849 L851 | Q843-S847 PolarHBondContact O-N 2.89Å; L844-S847 PolarHBondContact O-N 2.62Å; L844-S847 PolarHBondContact O-OG 3.09Å; L845-S847 VanDerWaalsContact C-N 3.29Å; L845-S847 PolarHBondContact O-N 3.07Å; S847-L849 VanDerWaalsContact C-N 3.27Å; S847-L849 PolarHBondContact O-N 3.16Å; S847-L851 PolarHBondContact O-N 3.5Å |
| 848 | Y | 91.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.3 | -5.9 | 175.4 | -75.7 | -108.3 | 0 | 0 | 0 | 113.5 | I798 V816 F820 L844 L845 L851 W855 L867 R868 | I798-Y848 HydrophobicContact CG2-CE2 4.19Å; I798-Y848 WeakPolarHBondContact CG2-OH 3.44Å; V816-Y848 HydrophobicContact CG1-CE1 4.02Å; F820-Y848 AromaticContact CE2-CD1 3.7Å; F820-Y848 HydrophobicContact CE2-CD1 3.7Å; F820-Y848 HydrophobicContact CE2-CD2 4.44Å; F820-Y848 HydrophobicContact CE2-CE1 4.34Å; F820-Y848 AromaticContact CE2-CG 3.75Å; F820-Y848 HydrophobicContact CE2-CG 3.75Å; F820-Y848 AromaticContact CZ-CD1 3.58Å; F820-Y848 HydrophobicContact CZ-CD1 3.58Å; F820-Y848 AromaticContact CZ-CD2 3.7Å; F820-Y848 HydrophobicContact CZ-CD2 3.7Å; F820-Y848 AromaticContact CZ-CE1 3.92Å; F820-Y848 HydrophobicContact CZ-CE1 3.92Å; F820-Y848 HydrophobicContact CZ-CE2 4.06Å; F820-Y848 AromaticContact CZ-CG 3.46Å; F820-Y848 HydrophobicContact CZ-CG 3.46Å; F820-Y848 VanDerWaalsContact CZ-CG 3.46Å; L844-Y848 HydrophobicContact CD1-CD2 4.28Å; L844-Y848 HydrophobicContact CD1-CE2 3.77Å; L844-Y848 WeakPolarHBondContact O-CD2 3.42Å; L844-Y848 PolarHBondContact O-N 3.14Å; L845-Y848 PolarHBondContact O-N 3.36Å; Y848-L851 HydrophobicContact CD1-CD2 3.92Å; Y848-L851 HydrophobicContact CG-CD2 4.28Å; Y848-W855 AromaticContact CE1-CH2 3.72Å; Y848-W855 HydrophobicContact CE1-CH2 3.72Å; Y848-W855 HydrophobicContact CE1-CZ2 4.38Å; Y848-W855 AromaticContact CZ-CH2 3.86Å; Y848-W855 WeakPolarHBondContact OH-CZ2 3.43Å; Y848-L867 HydrophobicContact CD1-CB 4.44Å; Y848-L867 HydrophobicContact CD1-CD1 4.41Å; Y848-L867 HydrophobicContact CD1-CD2 4.46Å; Y848-L867 HydrophobicContact CE1-CD1 4.48Å; Y848-R868 WeakPolarHBondContact O-CG 3.42Å |
| 849 | L | 89.5 | Confident | 83.7 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.8 | -36.6 | 170.7 | -65.3 | -169.8 | 0 | 0 | 0 | 113 | L845 S847 R868 A871 A872 L875 L891 K894 L895 L898 | L845-L849 PolarHBondContact O-N 3.29Å; S847-L849 VanDerWaalsContact C-N 3.27Å; S847-L849 PolarHBondContact O-N 3.16Å; L849-R868 WeakPolarHBondContact O-CD 3.46Å; L849-A871 HydrophobicContact CD2-CB 3.98Å; L849-A872 HydrophobicContact CD2-CB 3.82Å; L849-L875 HydrophobicContact CD1-CD1 3.78Å; L849-L875 HydrophobicContact CD2-CD1 4.22Å; L849-L875 HydrophobicContact CG-CD1 4.08Å; L849-L891 HydrophobicContact CD1-CD1 3.61Å; L849-K894 HydrophobicContact CD1-CB 4.23Å; L849-L895 HydrophobicContact CD1-CD2 3.78Å; L849-L895 HydrophobicContact CD1-CG 4.15Å; L849-L895 HydrophobicContact CD2-CD2 4.35Å; L849-L898 HydrophobicContact CD2-CD1 4.21Å |
| 850 | T | 81.7 | Confident | 83.8 | Confident | 54 Ų | 54 | 42.8 Ų | 42.8 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -99.4 | -29.8 | -179.1 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | D852 K894 | T850-D852 VanDerWaalsContact C-N 3.34Å; T850-D852 WeakPolarHBondContact CB-OD2 3.49Å; T850-D852 PolarHBondContact OG1-OD2 3.36Å; T850-K894 HydrophobicContact CG2-CD 4.21Å |
| 851 | L | 82.6 | Confident | 83.8 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 40.6 | -178.7 | -63.5 | 173.9 | 0 | 0 | 0 | 112.8 | S847 Y848 K853 T856 K864 R868 | S847-L851 PolarHBondContact O-N 3.5Å; Y848-L851 HydrophobicContact CD1-CD2 3.92Å; Y848-L851 HydrophobicContact CG-CD2 4.28Å; L851-K853 PolarHBondContact O-N 3.17Å; L851-K853 VanDerWaalsContact O-N 3.13Å; L851-T856 HydrophobicContact CB-CG2 3.98Å; L851-T856 HydrophobicContact CD2-CG2 4.25Å; L851-T856 WeakPolarHBondContact O-CG2 3.47Å; L851-T856 PolarHBondContact O-OG1 3.42Å; L851-T856 VanDerWaalsContact O-OG1 3.13Å; L851-K864 HydrophobicContact CD1-CB 3.74Å; L851-K864 HydrophobicContact CD1-CG 3.92Å; L851-R868 HydrophobicContact CD1-CG 3.7Å; L851-R868 HydrophobicContact CG-CG 4.13Å |
| 852 | D | 71.8 | Confident | 83.7 | Confident | 136 Ų | 136 | 46 Ų | 46 | 73% | 0.727 | 27% | 0.271 | S | S | * | . | trans | -77.7 | 14.3 | 177.8 | -44.7 | -56.4 | 0 | 0 | 0 | 113.4 | T850 | T850-D852 VanDerWaalsContact C-N 3.34Å; T850-D852 WeakPolarHBondContact CB-OD2 3.49Å; T850-D852 PolarHBondContact OG1-OD2 3.36Å | ||
| 853 | K | 75 | Confident | 83.7 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 27% | 0.265 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -83.4 | 143.6 | -179.1 | -72.1 | -174.4 | 175.9 | -170.8 | 0 | 111 | L851 W855 T856 | L851-K853 PolarHBondContact O-N 3.17Å; L851-K853 VanDerWaalsContact O-N 3.13Å; K853-W855 HydrophobicContact CB-CD2 4.37Å; K853-W855 HydrophobicContact CB-CZ2 4.3Å; K853-W855 HydrophobicContact CD-CH2 4.29Å; K853-W855 HydrophobicContact CD-CZ2 3.42Å; K853-W855 VanDerWaalsContact CD-CZ2 3.42Å; K853-W855 PolarHBondContact O-N 3.11Å; K853-T856 HydrophobicContact CB-CG2 3.96Å; K853-T856 VanDerWaalsContact O-CB 3.31Å; K853-T856 WeakPolarHBondContact O-CB 3.05Å; K853-T856 VanDerWaalsContact O-CG2 3.24Å; K853-T856 WeakPolarHBondContact O-CG2 3.41Å; K853-T856 PolarHBondContact O-N 3.29Å; K853-T856 PolarHBondContact O-OG1 3.19Å |
| 854 | H | 72 | Confident | 83.8 | Confident | 142 Ų | 142 | 43.2 Ų | 43.2 | 66% | 0.657 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -56.1 | -49.1 | -172.7 | 73.2 | -82.8 | 0 | 0 | 0 | 113.7 | E802 T856 S857 | E802-H854 IonicContact OE1-CE1 2.79Å; E802-H854 IonicContact OE2-CE1 3.78Å; E802-H854 IonicContact OE2-NE2 3.73Å; H854-T856 PolarHBondContact O-N 3.1Å; H854-S857 PolarHBondContact O-N 3.13Å; H854-S857 PolarHBondContact O-OG 3.3Å |
| 855 | W | 78.2 | Confident | 83.9 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 2% | 0.023 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -64.3 | -8.8 | 179 | 52.6 | -108.6 | 0 | 0 | 0 | 115.1 | E802 P803 F812 Y848 K853 S857 N858 L859 | E802-W855 HydrophobicContact CB-CB 4.47Å; E802-W855 HydrophobicContact CB-CG 4.19Å; E802-W855 HydrophobicContact CG-CG 4.41Å; E802-W855 PolarHBondContact OE1-NE1 2.68Å; P803-W855 VanDerWaalsContact CD-CE3 3.41Å; P803-W855 HydrophobicContact CG-CB 4.3Å; P803-W855 HydrophobicContact CG-CD2 3.98Å; P803-W855 HydrophobicContact CG-CE3 3.39Å; P803-W855 HydrophobicContact CG-CG 4.38Å; P803-W855 HydrophobicContact CG-CZ3 4.01Å; F812-W855 HydrophobicContact CE1-CZ3 4.44Å; F812-W855 HydrophobicContact CZ-CH2 4.3Å; F812-W855 HydrophobicContact CZ-CZ3 4.49Å; Y848-W855 AromaticContact CE1-CH2 3.72Å; Y848-W855 HydrophobicContact CE1-CH2 3.72Å; Y848-W855 HydrophobicContact CE1-CZ2 4.38Å; Y848-W855 AromaticContact CZ-CH2 3.86Å; Y848-W855 WeakPolarHBondContact OH-CZ2 3.43Å; K853-W855 HydrophobicContact CB-CD2 4.37Å; K853-W855 HydrophobicContact CB-CZ2 4.3Å; K853-W855 HydrophobicContact CD-CH2 4.29Å; K853-W855 HydrophobicContact CD-CZ2 3.42Å; K853-W855 VanDerWaalsContact CD-CZ2 3.42Å; K853-W855 PolarHBondContact O-N 3.11Å; W855-S857 PolarHBondContact O-N 3.43Å; W855-S857 VanDerWaalsContact O-N 3.11Å; W855-N858 VanDerWaalsContact O-CB 3.31Å; W855-N858 WeakPolarHBondContact O-CB 3.31Å; W855-N858 PolarHBondContact O-N 3.45Å; W855-L859 HydrophobicContact CE3-CD1 4.42Å; W855-L859 HydrophobicContact CZ3-CD1 3.87Å |
| 856 | T | 76 | Confident | 84 | Confident | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -65.6 | -14.7 | 178.7 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | L851 K853 H854 N858 L859 K864 | L851-T856 HydrophobicContact CB-CG2 3.98Å; L851-T856 HydrophobicContact CD2-CG2 4.25Å; L851-T856 WeakPolarHBondContact O-CG2 3.47Å; L851-T856 PolarHBondContact O-OG1 3.42Å; L851-T856 VanDerWaalsContact O-OG1 3.13Å; K853-T856 HydrophobicContact CB-CG2 3.96Å; K853-T856 VanDerWaalsContact O-CB 3.31Å; K853-T856 WeakPolarHBondContact O-CB 3.05Å; K853-T856 VanDerWaalsContact O-CG2 3.24Å; K853-T856 WeakPolarHBondContact O-CG2 3.41Å; K853-T856 PolarHBondContact O-N 3.29Å; K853-T856 PolarHBondContact O-OG1 3.19Å; H854-T856 PolarHBondContact O-N 3.1Å; T856-N858 PolarHBondContact O-N 3.39Å; T856-L859 PolarHBondContact O-N 3.42Å; T856-K864 WeakPolarHBondContact O-CE 3.18Å; T856-K864 PolarHBondContact O-NZ 3.31Å |
| 857 | S | 79 | Confident | 84.1 | Confident | 86 Ų | 86 | 45.7 Ų | 45.7 | 60% | 0.601 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -47.3 | -37.6 | 163 | 49 | 0 | 0 | 0 | 0 | 113.1 | H854 W855 L859 | H854-S857 PolarHBondContact O-N 3.13Å; H854-S857 PolarHBondContact O-OG 3.3Å; W855-S857 PolarHBondContact O-N 3.43Å; W855-S857 VanDerWaalsContact O-N 3.11Å; S857-L859 VanDerWaalsContact C-N 3.31Å; S857-L859 PolarHBondContact O-N 3.17Å |
| 858 | N | 81.4 | Confident | 84.3 | Confident | 59 Ų | 59 | 45 Ų | 45 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -79.5 | -12.7 | -169.3 | -54.3 | -2.4 | 0 | 0 | 0 | 113.2 | P803 W855 T856 | P803-N858 HydrophobicContact CG-CB 4.41Å; P803-N858 PolarHBondContact O-ND2 3.24Å; W855-N858 VanDerWaalsContact O-CB 3.31Å; W855-N858 WeakPolarHBondContact O-CB 3.31Å; W855-N858 PolarHBondContact O-N 3.45Å; T856-N858 PolarHBondContact O-N 3.39Å |
| 859 | L | 83.9 | Confident | 84.4 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96.2 | 140.9 | -178.9 | -64 | -178.3 | 0 | 0 | 0 | 113 | P803 N809 F812 V813 W855 T856 S857 E863 K864 L867 | P803-L859 HydrophobicContact CB-CD2 3.72Å; P803-L859 HydrophobicContact CB-CG 4.34Å; P803-L859 HydrophobicContact CG-CD1 4.49Å; P803-L859 HydrophobicContact CG-CD2 3.97Å; P803-L859 HydrophobicContact CG-CG 4.03Å; N809-L859 HydrophobicContact CB-CD2 3.63Å; F812-L859 HydrophobicContact CD1-CD2 4.49Å; F812-L859 HydrophobicContact CE1-CD1 4.48Å; V813-L859 HydrophobicContact CG2-CD2 4.39Å; W855-L859 HydrophobicContact CE3-CD1 4.42Å; W855-L859 HydrophobicContact CZ3-CD1 3.87Å; T856-L859 PolarHBondContact O-N 3.42Å; S857-L859 VanDerWaalsContact C-N 3.31Å; S857-L859 PolarHBondContact O-N 3.17Å; L859-E863 WeakPolarHBondContact CA-OE2 2.99Å; L859-E863 HydrophobicContact CB-CB 4.25Å; L859-E863 HydrophobicContact CD2-CB 4.43Å; L859-K864 HydrophobicContact CB-CG 3.96Å; L859-K864 WeakPolarHBondContact O-CE 3.42Å; L859-K864 PolarHBondContact O-NZ 3Å; L859-L867 HydrophobicContact CD1-CD1 3.57Å |
| 860 | G | 85.1 | Confident | 84.6 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | trans | -66.8 | 167.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E863 K864 | G860-E863 PolarHBondContact N-OE2 3.21Å; G860-E863 PolarHBondContact O-N 3.08Å; G860-K864 VanDerWaalsContact O-CG 3.32Å; G860-K864 WeakPolarHBondContact O-CG 3.36Å; G860-K864 PolarHBondContact O-N 3.3Å; G860-K864 VanDerWaalsContact O-N 3.09Å | ||
| 861 | A | 85.9 | Confident | 85.2 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 60% | 0.603 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E863 K864 D865 | A861-E863 PolarHBondContact O-N 3.24Å; A861-K864 WeakPolarHBondContact O-CB 3.38Å; A861-K864 PolarHBondContact O-N 2.95Å; A861-D865 WeakPolarHBondContact O-CB 3.39Å; A861-D865 VanDerWaalsContact O-CG 3.28Å; A861-D865 PolarHBondContact O-N 3.41Å |
| 862 | A | 86.9 | Confident | 85.8 | Confident | 39 Ų | 39 | 43.3 Ų | 43.3 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | D865 Q866 L1488 | A862-D865 PolarHBondContact O-N 3.09Å; A862-Q866 WeakPolarHBondContact O-CG 3.26Å; A862-Q866 PolarHBondContact O-N 3.41Å; A862-L1488 HydrophobicContact CB-CD1 4.48Å |
| 863 | E | 89.3 | Confident | 86.8 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.3 | -65.8 | 175.9 | 150.4 | 0 | 0 | 111.1 | V813 L859 G860 A861 D865 Q866 L867 | V813-E863 HydrophobicContact CG2-CB 3.86Å; V813-E863 HydrophobicContact CG2-CG 4.05Å; L859-E863 WeakPolarHBondContact CA-OE2 2.99Å; L859-E863 HydrophobicContact CB-CB 4.25Å; L859-E863 HydrophobicContact CD2-CB 4.43Å; G860-E863 PolarHBondContact N-OE2 3.21Å; G860-E863 PolarHBondContact O-N 3.08Å; A861-E863 PolarHBondContact O-N 3.24Å; E863-D865 VanDerWaalsContact C-N 3.3Å; E863-D865 PolarHBondContact O-N 2.55Å; E863-Q866 PolarHBondContact O-N 3.38Å; E863-L867 WeakPolarHBondContact O-CG 3.5Å; E863-L867 PolarHBondContact O-N 2.94Å |
| 864 | K | 89.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 172.5 | -71.7 | 166.7 | 164.7 | 140.1 | 0 | 111.6 | L851 T856 L859 G860 A861 R868 | L851-K864 HydrophobicContact CD1-CB 3.74Å; L851-K864 HydrophobicContact CD1-CG 3.92Å; T856-K864 WeakPolarHBondContact O-CE 3.18Å; T856-K864 PolarHBondContact O-NZ 3.31Å; L859-K864 HydrophobicContact CB-CG 3.96Å; L859-K864 WeakPolarHBondContact O-CE 3.42Å; L859-K864 PolarHBondContact O-NZ 3Å; G860-K864 VanDerWaalsContact O-CG 3.32Å; G860-K864 WeakPolarHBondContact O-CG 3.36Å; G860-K864 PolarHBondContact O-N 3.3Å; G860-K864 VanDerWaalsContact O-N 3.09Å; A861-K864 WeakPolarHBondContact O-CB 3.38Å; A861-K864 PolarHBondContact O-N 2.95Å; K864-R868 WeakPolarHBondContact O-CB 3.23Å; K864-R868 VanDerWaalsContact O-CG 3.26Å; K864-R868 WeakPolarHBondContact O-CG 3.31Å; K864-R868 PolarHBondContact O-N 2.93Å |
| 865 | D | 92.1 | Very high | 88.6 | Confident | 17 Ų | 17 | 27.4 Ų | 27.4 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.8 | -41 | -179.6 | -72.4 | -14.8 | 0 | 0 | 0 | 112.3 | A861 A862 E863 R868 I869 S903 V906 | A861-D865 WeakPolarHBondContact O-CB 3.39Å; A861-D865 VanDerWaalsContact O-CG 3.28Å; A861-D865 PolarHBondContact O-N 3.41Å; A862-D865 PolarHBondContact O-N 3.09Å; E863-D865 VanDerWaalsContact C-N 3.3Å; E863-D865 PolarHBondContact O-N 2.55Å; D865-R868 PolarHBondContact O-N 2.68Å; D865-R868 IonicContact OD1-CZ 3.14Å; D865-R868 IonicContact OD1-NE 3.42Å; D865-R868 PolarHBondContact OD1-NE 3.49Å; D865-R868 IonicContact OD1-NH2 2.78Å; D865-R868 PolarHBondContact OD1-NH2 3.06Å; D865-I869 WeakPolarHBondContact O-CB 3.48Å; D865-I869 WeakPolarHBondContact O-CD1 3.41Å; D865-I869 WeakPolarHBondContact O-CG1 3.29Å; D865-I869 PolarHBondContact O-N 2.57Å; D865-S903 WeakPolarHBondContact OD2-CB 3.19Å; D865-S903 PolarHBondContact OD2-OG 3.38Å; D865-V906 HydrophobicContact CB-CG2 3.73Å |
| 866 | Q | 92.7 | Very high | 89.1 | Confident | 74 Ų | 74 | 27.3 Ų | 27.3 | 35% | 0.346 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 172.1 | -76.1 | -179.4 | -23.5 | 0 | 0 | 112.1 | V813 A862 E863 R868 I869 A870 | V813-Q866 HydrophobicContact CG1-CB 4.1Å; V813-Q866 VanDerWaalsContact CG1-OE1 3.32Å; A862-Q866 WeakPolarHBondContact O-CG 3.26Å; A862-Q866 PolarHBondContact O-N 3.41Å; E863-Q866 PolarHBondContact O-N 3.38Å; Q866-R868 PolarHBondContact O-N 3.34Å; Q866-I869 PolarHBondContact O-N 2.98Å; Q866-A870 WeakPolarHBondContact O-CB 3.36Å; Q866-A870 PolarHBondContact O-N 3.29Å |
| 867 | L | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 177.3 | -71.1 | 174.5 | 0 | 0 | 0 | 112 | V813 V816 V817 F820 Y848 L859 E863 A870 A871 | V813-L867 HydrophobicContact CG1-CD2 4.32Å; V813-L867 HydrophobicContact CG1-CG 4.27Å; V813-L867 HydrophobicContact CG2-CD1 4.5Å; V816-L867 HydrophobicContact CB-CD2 3.9Å; V816-L867 HydrophobicContact CG1-CD2 3.6Å; V817-L867 HydrophobicContact CG2-CD2 4.29Å; F820-L867 HydrophobicContact CE2-CD2 4.49Å; Y848-L867 HydrophobicContact CD1-CB 4.44Å; Y848-L867 HydrophobicContact CD1-CD1 4.41Å; Y848-L867 HydrophobicContact CD1-CD2 4.46Å; Y848-L867 HydrophobicContact CE1-CD1 4.48Å; L859-L867 HydrophobicContact CD1-CD1 3.57Å; E863-L867 WeakPolarHBondContact O-CG 3.5Å; E863-L867 PolarHBondContact O-N 2.94Å; L867-A870 PolarHBondContact O-N 2.89Å; L867-A871 WeakPolarHBondContact O-CB 3.24Å; L867-A871 PolarHBondContact O-N 2.88Å |
| 868 | R | 93.6 | Very high | 90 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.3 | -70.4 | -171.4 | -52.2 | 141.3 | 2 | 112.1 | Y848 L849 L851 K864 D865 Q866 A872 D901 | Y848-R868 WeakPolarHBondContact O-CG 3.42Å; L849-R868 WeakPolarHBondContact O-CD 3.46Å; L851-R868 HydrophobicContact CD1-CG 3.7Å; L851-R868 HydrophobicContact CG-CG 4.13Å; K864-R868 WeakPolarHBondContact O-CB 3.23Å; K864-R868 VanDerWaalsContact O-CG 3.26Å; K864-R868 WeakPolarHBondContact O-CG 3.31Å; K864-R868 PolarHBondContact O-N 2.93Å; D865-R868 PolarHBondContact O-N 2.68Å; D865-R868 IonicContact OD1-CZ 3.14Å; D865-R868 IonicContact OD1-NE 3.42Å; D865-R868 PolarHBondContact OD1-NE 3.49Å; D865-R868 IonicContact OD1-NH2 2.78Å; D865-R868 PolarHBondContact OD1-NH2 3.06Å; Q866-R868 PolarHBondContact O-N 3.34Å; R868-A872 WeakPolarHBondContact O-CB 3.49Å; R868-A872 PolarHBondContact O-N 3.26Å; R868-D901 IonicContact CZ-OD1 2.7Å; R868-D901 IonicContact CZ-OD2 2.64Å; R868-D901 VanDerWaalsContact NH1-CG 3.32Å; R868-D901 IonicContact NH1-OD1 3.02Å; R868-D901 PolarHBondContact NH1-OD1 2.74Å; R868-D901 IonicContact NH1-OD2 3.84Å; R868-D901 PolarHBondContact NH1-OD2 3.24Å; R868-D901 IonicContact NH2-OD1 2.73Å; R868-D901 PolarHBondContact NH2-OD1 2.89Å; R868-D901 IonicContact NH2-OD2 2.95Å |
| 869 | I | 94.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 21.3 Ų | 21.3 | 16% | 0.164 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 176.4 | -70.5 | 161.3 | 0 | 0 | 0 | 111.1 | D865 Q866 T873 V906 A909 | D865-I869 WeakPolarHBondContact O-CB 3.48Å; D865-I869 WeakPolarHBondContact O-CD1 3.41Å; D865-I869 WeakPolarHBondContact O-CG1 3.29Å; D865-I869 PolarHBondContact O-N 2.57Å; Q866-I869 PolarHBondContact O-N 2.98Å; I869-T873 VanDerWaalsContact O-CB 3.23Å; I869-T873 WeakPolarHBondContact O-CB 3.24Å; I869-T873 PolarHBondContact O-N 3.37Å; I869-T873 PolarHBondContact O-OG1 3.18Å; I869-V906 HydrophobicContact CD1-CG2 4.14Å; I869-V906 HydrophobicContact CG1-CB 4.34Å; I869-V906 HydrophobicContact CG1-CG1 4.43Å; I869-V906 HydrophobicContact CG1-CG2 4.04Å; I869-A909 HydrophobicContact CD1-CB 3.8Å; I869-A909 HydrophobicContact CG1-CB 3.92Å; I869-A909 HydrophobicContact CG2-CB 3.8Å |
| 870 | A | 93.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 22.8 Ų | 22.8 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.4 | -49.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V817 F820 Q866 L867 A872 T873 A874 | V817-A870 HydrophobicContact CB-CB 4.19Å; V817-A870 HydrophobicContact CG1-CB 3.99Å; V817-A870 HydrophobicContact CG2-CB 3.8Å; F820-A870 HydrophobicContact CB-CB 4.2Å; F820-A870 HydrophobicContact CD2-CB 4.04Å; Q866-A870 WeakPolarHBondContact O-CB 3.36Å; Q866-A870 PolarHBondContact O-N 3.29Å; L867-A870 PolarHBondContact O-N 2.89Å; A870-A872 PolarHBondContact O-N 2.99Å; A870-T873 PolarHBondContact O-N 3.42Å; A870-T873 VanDerWaalsContact O-N 3.17Å; A870-A874 PolarHBondContact O-N 3.45Å |
| 871 | A | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F820 L845 L849 L867 A874 L875 | F820-A871 HydrophobicContact CD2-CB 3.88Å; F820-A871 HydrophobicContact CE2-CB 3.87Å; L845-A871 HydrophobicContact CD2-CB 4.15Å; L849-A871 HydrophobicContact CD2-CB 3.98Å; L867-A871 WeakPolarHBondContact O-CB 3.24Å; L867-A871 PolarHBondContact O-N 2.88Å; A871-A874 PolarHBondContact O-N 3.41Å; A871-L875 WeakPolarHBondContact O-CG 3.34Å; A871-L875 PolarHBondContact O-N 2.7Å; A871-L875 VanDerWaalsContact O-N 3.08Å |
| 872 | A | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L849 R868 A870 A874 L875 L876 L895 L898 I910 | L849-A872 HydrophobicContact CD2-CB 3.82Å; R868-A872 WeakPolarHBondContact O-CB 3.49Å; R868-A872 PolarHBondContact O-N 3.26Å; A870-A872 PolarHBondContact O-N 2.99Å; A872-A874 VanDerWaalsContact C-N 3.33Å; A872-A874 PolarHBondContact O-N 2.9Å; A872-L875 PolarHBondContact O-N 2.87Å; A872-L876 WeakPolarHBondContact O-CB 2.93Å; A872-L876 VanDerWaalsContact O-CG 3.27Å; A872-L876 WeakPolarHBondContact O-CG 3.41Å; A872-L876 PolarHBondContact O-N 3.28Å; A872-L895 HydrophobicContact CB-CD2 4.05Å; A872-L898 HydrophobicContact CB-CD1 3.51Å; A872-I910 HydrophobicContact CB-CD1 3.52Å |
| 873 | T | 93.6 | Very high | 85.6 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | I869 A870 L876 K877 K913 | I869-T873 VanDerWaalsContact O-CB 3.23Å; I869-T873 WeakPolarHBondContact O-CB 3.24Å; I869-T873 PolarHBondContact O-N 3.37Å; I869-T873 PolarHBondContact O-OG1 3.18Å; A870-T873 PolarHBondContact O-N 3.42Å; A870-T873 VanDerWaalsContact O-N 3.17Å; T873-L876 PolarHBondContact O-N 3.41Å; T873-K877 WeakPolarHBondContact O-CG 3.32Å; T873-K877 PolarHBondContact O-N 2.95Å; T873-K877 VanDerWaalsContact O-N 3.1Å; T873-K913 HydrophobicContact CG2-CD 3.98Å; T873-K913 HydrophobicContact CG2-CG 4.35Å; T873-K913 WeakPolarHBondContact OG1-CE 3.33Å |
| 874 | A | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | F820 L845 A870 A871 A872 L876 K877 L878 | F820-A874 VanDerWaalsContact O-CB 3.24Å; F820-A874 WeakPolarHBondContact O-CB 3.36Å; L845-A874 HydrophobicContact CD1-CB 3.99Å; L845-A874 HydrophobicContact CD2-CB 3.91Å; A870-A874 PolarHBondContact O-N 3.45Å; A871-A874 PolarHBondContact O-N 3.41Å; A872-A874 VanDerWaalsContact C-N 3.33Å; A872-A874 PolarHBondContact O-N 2.9Å; A874-L876 VanDerWaalsContact C-N 3.34Å; A874-L876 PolarHBondContact O-N 2.98Å; A874-K877 PolarHBondContact O-N 2.85Å; A874-K877 VanDerWaalsContact O-N 3.15Å; A874-L878 PolarHBondContact O-N 2.94Å |
| 875 | L | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -32.7 | 176.9 | -69.4 | 170.3 | 0 | 0 | 0 | 113.1 | V842 L845 L849 A871 A872 L878 S879 I887 L891 L895 | V842-L875 HydrophobicContact CG1-CD2 4.21Å; V842-L875 HydrophobicContact CG2-CD2 4.24Å; L845-L875 HydrophobicContact CB-CD1 3.97Å; L845-L875 HydrophobicContact CB-CD2 3.95Å; L845-L875 HydrophobicContact CB-CG 3.88Å; L845-L875 HydrophobicContact CD1-CD2 4.01Å; L845-L875 HydrophobicContact CD1-CG 4.2Å; L849-L875 HydrophobicContact CD1-CD1 3.78Å; L849-L875 HydrophobicContact CD2-CD1 4.22Å; L849-L875 HydrophobicContact CG-CD1 4.08Å; A871-L875 WeakPolarHBondContact O-CG 3.34Å; A871-L875 PolarHBondContact O-N 2.7Å; A871-L875 VanDerWaalsContact O-N 3.08Å; A872-L875 PolarHBondContact O-N 2.87Å; L875-L878 HydrophobicContact CD2-CD1 4.09Å; L875-L878 PolarHBondContact O-N 3.28Å; L875-S879 PolarHBondContact O-N 2.87Å; L875-S879 PolarHBondContact O-OG 3.39Å; L875-I887 WeakPolarHBondContact O-CD1 3.45Å; L875-L891 HydrophobicContact CD1-CD1 4.06Å; L875-L891 HydrophobicContact CD1-CD2 4.28Å; L875-L891 HydrophobicContact CD1-CG 4.48Å; L875-L891 HydrophobicContact CD2-CD2 4.04Å; L875-L895 HydrophobicContact CB-CD1 3.95Å; L875-L895 HydrophobicContact CB-CD2 3.91Å; L875-L895 HydrophobicContact CD1-CD2 4.05Å |
| 876 | L | 90.5 | Very high | 81.3 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -32 | 171.9 | -74.8 | 172.3 | 0 | 0 | 0 | 112.8 | A872 T873 A874 S879 F880 K913 L914 Y917 L923 F927 | A872-L876 WeakPolarHBondContact O-CB 2.93Å; A872-L876 VanDerWaalsContact O-CG 3.27Å; A872-L876 WeakPolarHBondContact O-CG 3.41Å; A872-L876 PolarHBondContact O-N 3.28Å; T873-L876 PolarHBondContact O-N 3.41Å; A874-L876 VanDerWaalsContact C-N 3.34Å; A874-L876 PolarHBondContact O-N 2.98Å; L876-S879 WeakPolarHBondContact O-CB 3.41Å; L876-S879 PolarHBondContact O-N 3.42Å; L876-F880 WeakPolarHBondContact O-CD1 3.47Å; L876-F880 VanDerWaalsContact O-CE1 3.29Å; L876-F880 WeakPolarHBondContact O-CE1 3.23Å; L876-K913 HydrophobicContact CD1-CB 4.21Å; L876-L914 HydrophobicContact CD1-CD2 4.33Å; L876-L914 HydrophobicContact CD2-CD2 3.86Å; L876-Y917 HydrophobicContact CB-CD2 4.32Å; L876-Y917 HydrophobicContact CB-CE2 4.29Å; L876-L923 HydrophobicContact CD2-CD1 4.19Å; L876-F927 HydrophobicContact CD2-CD1 3.78Å; L876-F927 HydrophobicContact CD2-CE1 3.45Å; L876-F927 VanDerWaalsContact CD2-CE1 3.45Å; L876-F927 HydrophobicContact CD2-CZ 3.98Å |
| 877 | K | 87.2 | Confident | 80.6 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.4 | -41.4 | 171.4 | -64.9 | 171.1 | -170 | 169.9 | 0 | 111.9 | D821 G824 T873 A874 S879 F880 | D821-K877 VanDerWaalsContact CG-NZ 3.3Å; D821-K877 PolarHBondContact O-NZ 2.66Å; D821-K877 IonicContact OD1-NZ 2.98Å; D821-K877 PolarHBondContact OD1-NZ 2.91Å; D821-K877 IonicContact OD2-NZ 2.9Å; G824-K877 VanDerWaalsContact C-CD 3.44Å; G824-K877 WeakPolarHBondContact O-CB 3.48Å; G824-K877 WeakPolarHBondContact O-CD 3.36Å; T873-K877 WeakPolarHBondContact O-CG 3.32Å; T873-K877 PolarHBondContact O-N 2.95Å; T873-K877 VanDerWaalsContact O-N 3.1Å; A874-K877 PolarHBondContact O-N 2.85Å; A874-K877 VanDerWaalsContact O-N 3.15Å; K877-S879 PolarHBondContact O-N 3.46Å; K877-F880 HydrophobicContact CB-CD2 4.42Å; K877-F880 HydrophobicContact CB-CE2 3.96Å; K877-F880 HydrophobicContact CB-CZ 4.2Å; K877-F880 HydrophobicContact CG-CE2 4.08Å; K877-F880 HydrophobicContact CG-CZ 4.09Å; K877-F880 WeakPolarHBondContact O-CB 3.07Å; K877-F880 WeakPolarHBondContact O-CD2 3.3Å; K877-F880 WeakPolarHBondContact O-CG 3.38Å; K877-F880 PolarHBondContact O-N 2.8Å; K877-F880 VanDerWaalsContact O-N 3.09Å |
| 878 | L | 84.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -32.9 | 172.4 | -80.8 | 162.9 | 0 | 0 | 0 | 112.1 | L827 V828 V838 V842 L845 A874 L875 F880 T884 I887 | L827-L878 HydrophobicContact CB-CD2 3.68Å; L827-L878 HydrophobicContact CD1-CD1 4.23Å; V828-L878 HydrophobicContact CG2-CD2 4.17Å; V828-L878 HydrophobicContact CG2-CG 4.44Å; V838-L878 HydrophobicContact CG1-CD2 4.46Å; V842-L878 HydrophobicContact CG2-CD1 3.9Å; L845-L878 HydrophobicContact CD1-CD1 4.14Å; A874-L878 PolarHBondContact O-N 2.94Å; L875-L878 HydrophobicContact CD2-CD1 4.09Å; L875-L878 PolarHBondContact O-N 3.28Å; L878-F880 PolarHBondContact O-N 3.37Å; L878-F880 VanDerWaalsContact O-N 3.09Å; L878-T884 PolarHBondContact O-OG1 3.41Å; L878-I887 HydrophobicContact CB-CD1 3.97Å |
| 879 | S | 85.1 | Confident | 79.5 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -3.9 | 176.3 | -57 | 0 | 0 | 0 | 0 | 115.1 | L875 L876 K877 I887 L923 F927 | L875-S879 PolarHBondContact O-N 2.87Å; L875-S879 PolarHBondContact O-OG 3.39Å; L876-S879 WeakPolarHBondContact O-CB 3.41Å; L876-S879 PolarHBondContact O-N 3.42Å; K877-S879 PolarHBondContact O-N 3.46Å; S879-I887 WeakPolarHBondContact OG-CD1 3.47Å; S879-L923 VanDerWaalsContact CB-CD2 3.46Å; S879-F927 WeakPolarHBondContact OG-CZ 3.15Å |
| 880 | F | 78.3 | Confident | 78.9 | Confident | 37 Ų | 37 | 32.9 Ų | 32.9 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -26.8 | -178.7 | -63.8 | -18.8 | 0 | 0 | 0 | 114.3 | L876 K877 L878 Y917 R922 L923 | L876-F880 WeakPolarHBondContact O-CD1 3.47Å; L876-F880 VanDerWaalsContact O-CE1 3.29Å; L876-F880 WeakPolarHBondContact O-CE1 3.23Å; K877-F880 HydrophobicContact CB-CD2 4.42Å; K877-F880 HydrophobicContact CB-CE2 3.96Å; K877-F880 HydrophobicContact CB-CZ 4.2Å; K877-F880 HydrophobicContact CG-CE2 4.08Å; K877-F880 HydrophobicContact CG-CZ 4.09Å; K877-F880 WeakPolarHBondContact O-CB 3.07Å; K877-F880 WeakPolarHBondContact O-CD2 3.3Å; K877-F880 WeakPolarHBondContact O-CG 3.38Å; K877-F880 PolarHBondContact O-N 2.8Å; K877-F880 VanDerWaalsContact O-N 3.09Å; L878-F880 PolarHBondContact O-N 3.37Å; L878-F880 VanDerWaalsContact O-N 3.09Å; F880-Y917 AromaticContact CE1-CD1 3.92Å; F880-Y917 HydrophobicContact CE1-CD1 3.92Å; F880-Y917 AromaticContact CE1-CD2 3.79Å; F880-Y917 HydrophobicContact CE1-CD2 3.79Å; F880-Y917 HydrophobicContact CE1-CE1 4.43Å; F880-Y917 HydrophobicContact CE1-CE2 4.31Å; F880-Y917 AromaticContact CE1-CG 3.59Å; F880-Y917 HydrophobicContact CE1-CG 3.59Å; F880-Y917 AromaticContact CZ-CD1 3.6Å; F880-Y917 HydrophobicContact CZ-CD1 3.6Å; F880-Y917 AromaticContact CZ-CD2 3.95Å; F880-Y917 HydrophobicContact CZ-CD2 3.95Å; F880-Y917 AromaticContact CZ-CE1 3.72Å; F880-Y917 HydrophobicContact CZ-CE1 3.72Å; F880-Y917 HydrophobicContact CZ-CE2 4.05Å; F880-Y917 AromaticContact CZ-CG 3.74Å; F880-Y917 HydrophobicContact CZ-CG 3.74Å; F880-Y917 AromaticContact CZ-CZ 3.94Å; F880-R922 WeakPolarHBondContact CA-O 3.28Å; F880-R922 HydrophobicContact CD1-CB 3.8Å; F880-R922 HydrophobicContact CE1-CB 4.05Å; F880-R922 HydrophobicContact CG-CB 4.17Å; F880-L923 HydrophobicContact CD1-CD2 4.04Å; F880-L923 HydrophobicContact CD1-CG 4.39Å; F880-L923 HydrophobicContact CE1-CD2 4.28Å; F880-L923 HydrophobicContact CE1-CG 4.36Å |
| 881 | C | 64.8 | Low | 78.6 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | trans | -108.3 | 118.2 | -178.3 | -71.1 | 0 | 0 | 0 | 0 | 109.9 | Q883 T884 | C881-Q883 PolarHBondContact O-N 2.72Å; C881-T884 HydrophobicContact CB-CG2 4.3Å; C881-T884 PolarHBondContact O-N 3.07Å; C881-T884 PolarHBondContact O-OG1 3.3Å | ||
| 882 | E | 52.6 | Low | 78.3 | Confident | 99 Ų | 99 | 33 Ų | 33 | 46% | 0.463 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9 | 171.6 | -74.3 | -156.9 | 174.6 | 0 | 0 | 114 | T884 R978 | E882-T884 VanDerWaalsContact C-N 3.32Å; E882-R978 IonicContact OE2-CZ 3.87Å; E882-R978 VanDerWaalsContact OE2-CZ 3.22Å; E882-R978 IonicContact OE2-NE 3.9Å; E882-R978 PolarHBondContact OE2-NE 3Å; E882-R978 IonicContact OE2-NH2 3.3Å; E882-R978 PolarHBondContact OE2-NH2 3.36Å |
| 883 | Q | 51.3 | Low | 78 | Confident | 131 Ų | 131 | 35.8 Ų | 35.8 | 61% | 0.612 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.6 | 176.6 | -57.1 | -177.1 | 9.7 | 0 | 0 | 112.3 | C881 T885 | C881-Q883 PolarHBondContact O-N 2.72Å; Q883-T885 PolarHBondContact O-N 2.97Å; Q883-T885 VanDerWaalsContact O-N 3.09Å |
| 884 | T | 55.5 | Low | 77.8 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 13% | 0.129 | 22% | 0.215 | C | C | . | . | trans | -78 | 87.8 | 171 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | L878 C881 E882 H886 | L878-T884 PolarHBondContact O-OG1 3.41Å; C881-T884 HydrophobicContact CB-CG2 4.3Å; C881-T884 PolarHBondContact O-N 3.07Å; C881-T884 PolarHBondContact O-OG1 3.3Å; E882-T884 VanDerWaalsContact C-N 3.32Å; T884-H886 PolarHBondContact O-N 3.28Å | ||
| 885 | T | 57.8 | Low | 77.8 | Confident | 97 Ų | 97 | 39.9 Ų | 39.9 | 60% | 0.595 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.3 | 171.6 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | Q883 I887 R1071 | Q883-T885 PolarHBondContact O-N 2.97Å; Q883-T885 VanDerWaalsContact O-N 3.09Å; T885-I887 VanDerWaalsContact C-N 3.31Å; T885-I887 PolarHBondContact O-N 3.28Å; T885-I887 VanDerWaalsContact O-N 3.13Å; T885-R1071 PolarHBondContact O-NH2 2.82Å |
| 886 | H | 67.2 | Low | 77.8 | Confident | 33 Ų | 33 | 40 Ų | 40 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -36.8 | -175 | -36 | -62.2 | 0 | 0 | 0 | 115.7 | S835 V838 D839 V842 T884 S888 | S835-H886 PolarHBondContact OG-CE1 3.22Å; S835-H886 VanDerWaalsContact OG-CE1 3.25Å; V838-H886 VanDerWaalsContact CG1-CD2 3.46Å; V838-H886 WeakPolarHBondContact CG1-CD2 3.47Å; D839-H886 VanDerWaalsContact CG-ND1 3.27Å; D839-H886 WeakPolarHBondContact OD1-CB 3.41Å; D839-H886 IonicContact OD1-CE1 2.65Å; D839-H886 IonicContact OD1-CG 3.73Å; D839-H886 IonicContact OD1-ND1 2.78Å; D839-H886 PolarHBondContact OD1-ND1 3.5Å; D839-H886 IonicContact OD2-CE1 3.12Å; D839-H886 IonicContact OD2-ND1 3.94Å; D839-H886 PolarHBondContact OD2-ND1 2.97Å; V842-H886 HydrophobicContact CB-CB 4.49Å; V842-H886 HydrophobicContact CG1-CB 4.46Å; V842-H886 HydrophobicContact CG2-CB 4.05Å; T884-H886 PolarHBondContact O-N 3.28Å; H886-S888 PolarHBondContact O-N 3.39Å |
| 887 | I | 78.4 | Confident | 77.9 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -77.5 | 94.7 | -178.5 | -56 | -175.6 | 0 | 0 | 0 | 109.9 | L875 L878 S879 T885 L891 R1071 | L875-I887 WeakPolarHBondContact O-CD1 3.45Å; L878-I887 HydrophobicContact CB-CD1 3.97Å; S879-I887 WeakPolarHBondContact OG-CD1 3.47Å; T885-I887 VanDerWaalsContact C-N 3.31Å; T885-I887 PolarHBondContact O-N 3.28Å; T885-I887 VanDerWaalsContact O-N 3.13Å; I887-L891 HydrophobicContact CG2-CB 4.44Å; I887-L891 HydrophobicContact CG2-CD2 4.4Å; I887-L891 HydrophobicContact CG2-CG 4.36Å; I887-R1071 PolarHBondContact O-NH1 3.28Å; I887-R1071 PolarHBondContact O-NH2 3.46Å |
| 888 | S | 81.2 | Confident | 78.2 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | trans | -64.6 | 158.6 | -178.9 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | H886 A890 L891 Y892 | H886-S888 PolarHBondContact O-N 3.39Å; S888-A890 PolarHBondContact O-N 3.13Å; S888-L891 PolarHBondContact O-N 2.63Å; S888-L891 VanDerWaalsContact O-N 3.07Å; S888-L891 WeakPolarHBondContact OG-CB 3.48Å; S888-L891 PolarHBondContact OG-N 2.68Å; S888-L891 VanDerWaalsContact OG-N 3.12Å; S888-Y892 PolarHBondContact O-N 2.6Å | ||
| 889 | S | 80.3 | Confident | 78.6 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.5 | -20.2 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | R893 | S889-R893 WeakPolarHBondContact O-CG 3.48Å; S889-R893 PolarHBondContact O-N 2.86Å; S889-R893 PolarHBondContact O-NE 3.38Å |
| 890 | A | 82.1 | Confident | 79 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 37% | 0.372 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.4 | -42 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S888 R893 K894 | S888-A890 PolarHBondContact O-N 3.13Å; A890-R893 PolarHBondContact O-N 3.18Å; A890-K894 PolarHBondContact O-N 3.25Å; A890-K894 VanDerWaalsContact O-N 3.11Å |
| 891 | L | 87.1 | Confident | 79.7 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 177.9 | -175.1 | 53.5 | 0 | 0 | 0 | 112 | V842 S846 L849 L875 I887 S888 R893 K894 L895 | V842-L891 HydrophobicContact CG1-CD2 3.59Å; S846-L891 WeakPolarHBondContact OG-CD1 3.43Å; L849-L891 HydrophobicContact CD1-CD1 3.61Å; L875-L891 HydrophobicContact CD1-CD1 4.06Å; L875-L891 HydrophobicContact CD1-CD2 4.28Å; L875-L891 HydrophobicContact CD1-CG 4.48Å; L875-L891 HydrophobicContact CD2-CD2 4.04Å; I887-L891 HydrophobicContact CG2-CB 4.44Å; I887-L891 HydrophobicContact CG2-CD2 4.4Å; I887-L891 HydrophobicContact CG2-CG 4.36Å; S888-L891 PolarHBondContact O-N 2.63Å; S888-L891 VanDerWaalsContact O-N 3.07Å; S888-L891 WeakPolarHBondContact OG-CB 3.48Å; S888-L891 PolarHBondContact OG-N 2.68Å; S888-L891 VanDerWaalsContact OG-N 3.12Å; L891-R893 VanDerWaalsContact C-N 3.31Å; L891-R893 PolarHBondContact O-N 3.4Å; L891-K894 PolarHBondContact O-N 3.45Å; L891-L895 HydrophobicContact CG-CD1 4.31Å; L891-L895 WeakPolarHBondContact O-CG 3.31Å; L891-L895 PolarHBondContact O-N 3.24Å |
| 892 | Y | 88.2 | Confident | 80.8 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -42.9 | 171 | 163.5 | -104.5 | 0 | 0 | 0 | 112.4 | S888 L895 A896 T926 F927 Y994 L995 F1072 | S888-Y892 PolarHBondContact O-N 2.6Å; Y892-L895 PolarHBondContact O-N 2.77Å; Y892-A896 WeakPolarHBondContact O-CB 3.3Å; Y892-A896 PolarHBondContact O-N 2.97Å; Y892-T926 PolarHBondContact OH-O 3.02Å; Y892-F927 HydrophobicContact CD2-CE1 4.18Å; Y892-F927 HydrophobicContact CD2-CE2 4.29Å; Y892-F927 AromaticContact CD2-CZ 3.98Å; Y892-F927 HydrophobicContact CD2-CZ 3.98Å; Y892-F927 HydrophobicContact CE2-CD1 4.49Å; Y892-F927 HydrophobicContact CE2-CE1 4.42Å; Y892-F927 HydrophobicContact CE2-CZ 4.46Å; Y892-Y994 HydrophobicContact CD1-CE1 4.22Å; Y892-Y994 HydrophobicContact CE1-CD1 4.12Å; Y892-Y994 HydrophobicContact CE1-CE1 4.2Å; Y892-L995 HydrophobicContact CD1-CD2 4.19Å; Y892-L995 HydrophobicContact CE1-CD2 3.51Å; Y892-L995 HydrophobicContact CE1-CG 3.95Å; Y892-L995 WeakPolarHBondContact OH-CD1 3.44Å; Y892-F1072 AromaticContact CD1-CE1 3.85Å; Y892-F1072 HydrophobicContact CD1-CE1 3.85Å; Y892-F1072 HydrophobicContact CD1-CZ 4.42Å; Y892-F1072 HydrophobicContact CE1-CE1 4.12Å |
| 893 | R | 88.6 | Confident | 82.7 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 23% | 0.226 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 174.2 | -76.5 | -176.3 | -69.2 | 136.3 | -4.2 | 111.9 | S889 A890 L891 L895 A896 Y897 Y994 L995 Y998 | S889-R893 WeakPolarHBondContact O-CG 3.48Å; S889-R893 PolarHBondContact O-N 2.86Å; S889-R893 PolarHBondContact O-NE 3.38Å; A890-R893 PolarHBondContact O-N 3.18Å; L891-R893 VanDerWaalsContact C-N 3.31Å; L891-R893 PolarHBondContact O-N 3.4Å; R893-L895 VanDerWaalsContact C-N 3.33Å; R893-L895 PolarHBondContact O-N 2.9Å; R893-A896 PolarHBondContact O-N 3.28Å; R893-Y897 HydrophobicContact CB-CE2 3.89Å; R893-Y897 WeakPolarHBondContact O-CD2 2.98Å; R893-Y897 VanDerWaalsContact O-CG 3.23Å; R893-Y897 PolarHBondContact O-N 2.98Å; R893-Y994 HydrophobicContact CG-CE1 3.86Å; R893-Y994 PolarHBondContact NE-OH 3.25Å; R893-L995 HydrophobicContact CG-CD2 4.03Å; R893-Y998 VanDerWaalsContact CD-CB 3.42Å |
| 894 | K | 89.8 | Confident | 84.6 | Confident | 85 Ų | 85 | 41 Ų | 41 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.1 | -48.2 | 175 | -73.4 | -170.2 | 173 | -169.7 | 0 | 111.3 | L849 T850 A890 L891 Y897 | L849-K894 HydrophobicContact CD1-CB 4.23Å; T850-K894 HydrophobicContact CG2-CD 4.21Å; A890-K894 PolarHBondContact O-N 3.25Å; A890-K894 VanDerWaalsContact O-N 3.11Å; L891-K894 PolarHBondContact O-N 3.45Å; K894-Y897 PolarHBondContact O-N 3.3Å |
| 895 | L | 92.3 | Very high | 86.3 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 179.1 | -70 | 167.3 | 0 | 0 | 0 | 113.1 | L849 A872 L875 L891 Y892 R893 L898 F927 | L849-L895 HydrophobicContact CD1-CD2 3.78Å; L849-L895 HydrophobicContact CD1-CG 4.15Å; L849-L895 HydrophobicContact CD2-CD2 4.35Å; A872-L895 HydrophobicContact CB-CD2 4.05Å; L875-L895 HydrophobicContact CB-CD1 3.95Å; L875-L895 HydrophobicContact CB-CD2 3.91Å; L875-L895 HydrophobicContact CD1-CD2 4.05Å; L891-L895 HydrophobicContact CG-CD1 4.31Å; L891-L895 WeakPolarHBondContact O-CG 3.31Å; L891-L895 PolarHBondContact O-N 3.24Å; Y892-L895 PolarHBondContact O-N 2.77Å; R893-L895 VanDerWaalsContact C-N 3.33Å; R893-L895 PolarHBondContact O-N 2.9Å; L895-L898 HydrophobicContact CD2-CD1 4.38Å; L895-L898 PolarHBondContact O-N 2.99Å; L895-F927 HydrophobicContact CB-CE1 4.28Å; L895-F927 HydrophobicContact CD1-CZ 4.46Å |
| 896 | A | 91.3 | Very high | 88 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y892 R893 L898 L899 A930 L933 L995 | Y892-A896 WeakPolarHBondContact O-CB 3.3Å; Y892-A896 PolarHBondContact O-N 2.97Å; R893-A896 PolarHBondContact O-N 3.28Å; A896-L898 PolarHBondContact O-N 3.06Å; A896-L899 PolarHBondContact O-N 3.25Å; A896-A930 HydrophobicContact CB-CB 3.92Å; A896-L933 HydrophobicContact CB-CD1 4Å; A896-L933 WeakPolarHBondContact O-CD1 3.49Å; A896-L995 HydrophobicContact CB-CD1 3.88Å; A896-L995 HydrophobicContact CB-CD2 3.59Å; A896-L995 HydrophobicContact CB-CG 4.41Å |
| 897 | Y | 92.9 | Very high | 89.3 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 16% | 0.161 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -17.7 | 179.7 | -59 | -31.9 | 0 | 0 | 0 | 113.7 | R893 K894 L899 I900 D901 L933 L995 Y998 Y999 | R893-Y897 HydrophobicContact CB-CE2 3.89Å; R893-Y897 WeakPolarHBondContact O-CD2 2.98Å; R893-Y897 VanDerWaalsContact O-CG 3.23Å; R893-Y897 PolarHBondContact O-N 2.98Å; K894-Y897 PolarHBondContact O-N 3.3Å; Y897-L899 PolarHBondContact O-N 2.83Å; Y897-I900 CarbonylContact O-C 3.58Å; Y897-I900 WeakPolarHBondContact O-CG1 3.49Å; Y897-I900 PolarHBondContact O-N 3.44Å; Y897-D901 PolarHBondContact O-N 3.23Å; Y897-L933 HydrophobicContact CD1-CD1 3.72Å; Y897-L933 HydrophobicContact CD1-CD2 4.1Å; Y897-L933 HydrophobicContact CE1-CD1 4.18Å; Y897-L933 HydrophobicContact CE1-CD2 3.98Å; Y897-L995 PolarHBondContact OH-O 3.5Å; Y897-Y998 VanDerWaalsContact OH-C 3.28Å; Y897-Y998 PolarHBondContact OH-O 2.89Å; Y897-Y998 VanDerWaalsContact OH-O 3.11Å; Y897-Y999 HydrophobicContact CE1-CD2 4.17Å |
| 898 | L | 93.4 | Very high | 90 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -64.4 | -18.4 | 173.9 | -64.1 | 171.8 | 0 | 0 | 0 | 113.9 | L849 A872 L895 A896 I900 D901 V906 I910 | L849-L898 HydrophobicContact CD2-CD1 4.21Å; A872-L898 HydrophobicContact CB-CD1 3.51Å; L895-L898 HydrophobicContact CD2-CD1 4.38Å; L895-L898 PolarHBondContact O-N 2.99Å; A896-L898 PolarHBondContact O-N 3.06Å; L898-I900 PolarHBondContact O-N 3.39Å; L898-D901 WeakPolarHBondContact O-CB 3.13Å; L898-D901 PolarHBondContact O-N 2.62Å; L898-V906 HydrophobicContact CD2-CG1 4.36Å; L898-I910 HydrophobicContact CB-CD1 4.48Å; L898-I910 HydrophobicContact CB-CG1 4.09Å; L898-I910 HydrophobicContact CB-CG2 4.35Å; L898-I910 HydrophobicContact CD1-CD1 4.28Å |
| 899 | L | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -63.2 | -25 | 171.9 | -175.1 | 67.7 | 0 | 0 | 0 | 112.4 | A896 Y897 R907 L911 L914 A930 F931 F948 | A896-L899 PolarHBondContact O-N 3.25Å; Y897-L899 PolarHBondContact O-N 2.83Å; L899-R907 WeakPolarHBondContact O-CG 3.3Å; L899-L911 HydrophobicContact CD1-CB 3.97Å; L899-L911 HydrophobicContact CD1-CD1 4.11Å; L899-L914 HydrophobicContact CD1-CD1 4.38Å; L899-A930 VanDerWaalsContact CD2-O 3.27Å; L899-A930 WeakPolarHBondContact CD2-O 3.41Å; L899-F931 HydrophobicContact CD2-CD1 3.89Å; L899-F948 HydrophobicContact CD1-CZ 4.03Å; L899-F948 HydrophobicContact CG-CZ 4.46Å; L899-F948 WeakPolarHBondContact O-CZ 3.43Å |
| 900 | I | 92.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -116.3 | 28.8 | 176.7 | 57.2 | 171.9 | 0 | 0 | 0 | 111.6 | Y897 L898 L933 L936 L937 Y999 | Y897-I900 CarbonylContact O-C 3.58Å; Y897-I900 WeakPolarHBondContact O-CG1 3.49Å; Y897-I900 PolarHBondContact O-N 3.44Å; L898-I900 PolarHBondContact O-N 3.39Å; I900-L933 HydrophobicContact CD1-CB 4.21Å; I900-L933 HydrophobicContact CG2-CB 4.29Å; I900-L933 WeakPolarHBondContact CG2-O 3.32Å; I900-L936 HydrophobicContact CD1-CB 4.06Å; I900-L937 HydrophobicContact CB-CD1 4.42Å; I900-L937 HydrophobicContact CG2-CB 4.19Å; I900-Y999 HydrophobicContact CD1-CE2 3.82Å |
| 901 | D | 92.8 | Very high | 92 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | trans | -57.9 | 155.1 | 174.4 | -169.6 | -103.9 | 0 | 0 | 0 | 112 | R868 Y897 L898 S903 V906 R907 | R868-D901 IonicContact CZ-OD1 2.7Å; R868-D901 IonicContact CZ-OD2 2.64Å; R868-D901 VanDerWaalsContact NH1-CG 3.32Å; R868-D901 IonicContact NH1-OD1 3.02Å; R868-D901 PolarHBondContact NH1-OD1 2.74Å; R868-D901 IonicContact NH1-OD2 3.84Å; R868-D901 PolarHBondContact NH1-OD2 3.24Å; R868-D901 IonicContact NH2-OD1 2.73Å; R868-D901 PolarHBondContact NH2-OD1 2.89Å; R868-D901 IonicContact NH2-OD2 2.95Å; Y897-D901 PolarHBondContact O-N 3.23Å; L898-D901 WeakPolarHBondContact O-CB 3.13Å; L898-D901 PolarHBondContact O-N 2.62Å; D901-S903 VanDerWaalsContact C-N 3.29Å; D901-S903 PolarHBondContact O-N 3.39Å; D901-S903 WeakPolarHBondContact OD1-CB 3.4Å; D901-S903 PolarHBondContact OD1-N 3.44Å; D901-V906 HydrophobicContact CB-CB 4.06Å; D901-V906 HydrophobicContact CB-CG1 3.76Å; D901-R907 HydrophobicContact CB-CG 4.4Å; D901-R907 VanDerWaalsContact O-CD 3.31Å; D901-R907 WeakPolarHBondContact O-CD 3.27Å; D901-R907 VanDerWaalsContact O-CG 3.31Å; D901-R907 WeakPolarHBondContact O-CG 3.41Å; D901-R907 PolarHBondContact O-NH1 3.04Å | ||
| 902 | K | 88.4 | Confident | 92.3 | Very high | 178 Ų | 178 | 38.4 Ų | 38.4 | 77% | 0.774 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -57.8 | -37.3 | 174.5 | 60.9 | -175 | 178.7 | -177 | 0 | 113.2 | R907 | K902-R907 VanDerWaalsContact C-NH1 3.29Å; K902-R907 PolarHBondContact O-NH1 3.48Å |
| 903 | S | 91.2 | Very high | 92.6 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | trans | -82.3 | 133.2 | -178.6 | 175.9 | 0 | 0 | 0 | 0 | 112.5 | D865 D901 E905 V906 R907 | D865-S903 WeakPolarHBondContact OD2-CB 3.19Å; D865-S903 PolarHBondContact OD2-OG 3.38Å; D901-S903 VanDerWaalsContact C-N 3.29Å; D901-S903 PolarHBondContact O-N 3.39Å; D901-S903 WeakPolarHBondContact OD1-CB 3.4Å; D901-S903 PolarHBondContact OD1-N 3.44Å; S903-E905 PolarHBondContact OG-N 3.01Å; S903-V906 PolarHBondContact O-N 2.95Å; S903-R907 WeakPolarHBondContact O-CG 3.43Å; S903-R907 PolarHBondContact O-N 3.05Å; S903-R907 VanDerWaalsContact O-N 3.1Å; S903-R907 PolarHBondContact O-NH1 2.96Å | ||
| 904 | K | 91.7 | Very high | 92.7 | Very high | 95 Ų | 95 | 38.7 Ų | 38.7 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.9 | -175.5 | 176.5 | 174.1 | -86 | 0 | 111.7 | V906 R907 E908 | K904-V906 VanDerWaalsContact C-N 3.33Å; K904-V906 PolarHBondContact O-N 3.25Å; K904-R907 PolarHBondContact O-N 3.44Å; K904-E908 WeakPolarHBondContact CE-OE2 3.39Å; K904-E908 HydrophobicContact CG-CG 4.3Å; K904-E908 IonicContact NZ-OE2 3.06Å; K904-E908 PolarHBondContact NZ-OE2 2.96Å; K904-E908 WeakPolarHBondContact O-CG 3.41Å; K904-E908 PolarHBondContact O-N 3.27Å |
| 905 | E | 91.5 | Very high | 92.8 | Very high | 112 Ų | 112 | 36.4 Ų | 36.4 | 52% | 0.523 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61 | -43.3 | 179.1 | -72.5 | 123.7 | -120 | 0 | 0 | 111.3 | S903 E908 A909 | S903-E905 PolarHBondContact OG-N 3.01Å; E905-E908 PolarHBondContact O-N 3.48Å; E905-A909 WeakPolarHBondContact O-CB 3.2Å; E905-A909 PolarHBondContact O-N 2.84Å |
| 906 | V | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -49.4 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | D865 I869 L898 D901 S903 K904 E908 A909 I910 | D865-V906 HydrophobicContact CB-CG2 3.73Å; I869-V906 HydrophobicContact CD1-CG2 4.14Å; I869-V906 HydrophobicContact CG1-CB 4.34Å; I869-V906 HydrophobicContact CG1-CG1 4.43Å; I869-V906 HydrophobicContact CG1-CG2 4.04Å; L898-V906 HydrophobicContact CD2-CG1 4.36Å; D901-V906 HydrophobicContact CB-CB 4.06Å; D901-V906 HydrophobicContact CB-CG1 3.76Å; S903-V906 PolarHBondContact O-N 2.95Å; K904-V906 VanDerWaalsContact C-N 3.33Å; K904-V906 PolarHBondContact O-N 3.25Å; V906-E908 PolarHBondContact O-N 2.98Å; V906-A909 PolarHBondContact O-N 3.04Å; V906-I910 HydrophobicContact CG1-CG1 4.09Å; V906-I910 VanDerWaalsContact O-CB 3.32Å; V906-I910 WeakPolarHBondContact O-CB 3.24Å; V906-I910 WeakPolarHBondContact O-CG1 3.41Å; V906-I910 PolarHBondContact O-N 2.98Å |
| 907 | R | 94.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56 | -48.2 | 177.7 | -70.3 | -168.9 | -59.6 | -86.8 | 3.8 | 112.6 | L899 D901 K902 S903 K904 L911 E944 F948 | L899-R907 WeakPolarHBondContact O-CG 3.3Å; D901-R907 HydrophobicContact CB-CG 4.4Å; D901-R907 VanDerWaalsContact O-CD 3.31Å; D901-R907 WeakPolarHBondContact O-CD 3.27Å; D901-R907 VanDerWaalsContact O-CG 3.31Å; D901-R907 WeakPolarHBondContact O-CG 3.41Å; D901-R907 PolarHBondContact O-NH1 3.04Å; K902-R907 VanDerWaalsContact C-NH1 3.29Å; K902-R907 PolarHBondContact O-NH1 3.48Å; S903-R907 WeakPolarHBondContact O-CG 3.43Å; S903-R907 PolarHBondContact O-N 3.05Å; S903-R907 VanDerWaalsContact O-N 3.1Å; S903-R907 PolarHBondContact O-NH1 2.96Å; K904-R907 PolarHBondContact O-N 3.44Å; R907-L911 VanDerWaalsContact O-CB 3.27Å; R907-L911 WeakPolarHBondContact O-CB 3.36Å; R907-L911 PolarHBondContact O-N 2.99Å; R907-E944 IonicContact CZ-OE1 3.11Å; R907-E944 IonicContact NH2-OE1 3.69Å; R907-E944 PolarHBondContact NH2-OE1 3.04Å; R907-F948 HydrophobicContact CB-CE2 3.88Å; R907-F948 HydrophobicContact CB-CZ 3.91Å; R907-F948 HydrophobicContact CG-CZ 4.46Å |
| 908 | E | 93.5 | Very high | 92.2 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -73.1 | -37.4 | -176.2 | -65.4 | -156.5 | 112 | 0 | 0 | 112.7 | K904 E905 V906 S912 K951 | K904-E908 WeakPolarHBondContact CE-OE2 3.39Å; K904-E908 HydrophobicContact CG-CG 4.3Å; K904-E908 IonicContact NZ-OE2 3.06Å; K904-E908 PolarHBondContact NZ-OE2 2.96Å; K904-E908 WeakPolarHBondContact O-CG 3.41Å; K904-E908 PolarHBondContact O-N 3.27Å; E905-E908 PolarHBondContact O-N 3.48Å; V906-E908 PolarHBondContact O-N 2.98Å; E908-S912 VanDerWaalsContact O-CB 3.32Å; E908-S912 WeakPolarHBondContact O-CB 3.48Å; E908-S912 PolarHBondContact O-N 2.94Å; E908-K951 IonicContact OE1-NZ 2.77Å; E908-K951 PolarHBondContact OE1-NZ 2.73Å |
| 909 | A | 93.9 | Very high | 91.7 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 21% | 0.207 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I869 E905 V906 S912 K913 | I869-A909 HydrophobicContact CD1-CB 3.8Å; I869-A909 HydrophobicContact CG1-CB 3.92Å; I869-A909 HydrophobicContact CG2-CB 3.8Å; E905-A909 WeakPolarHBondContact O-CB 3.2Å; E905-A909 PolarHBondContact O-N 2.84Å; V906-A909 PolarHBondContact O-N 3.04Å; A909-S912 WeakPolarHBondContact O-CB 3.44Å; A909-S912 PolarHBondContact O-N 3.1Å; A909-S912 VanDerWaalsContact O-N 3.17Å; A909-K913 WeakPolarHBondContact O-CG 3.31Å; A909-K913 PolarHBondContact O-N 2.77Å |
| 910 | I | 95.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 179.1 | -65.7 | -67.7 | 0 | 0 | 0 | 111 | A872 L898 V906 S912 K913 L914 | A872-I910 HydrophobicContact CB-CD1 3.52Å; L898-I910 HydrophobicContact CB-CD1 4.48Å; L898-I910 HydrophobicContact CB-CG1 4.09Å; L898-I910 HydrophobicContact CB-CG2 4.35Å; L898-I910 HydrophobicContact CD1-CD1 4.28Å; V906-I910 HydrophobicContact CG1-CG1 4.09Å; V906-I910 VanDerWaalsContact O-CB 3.32Å; V906-I910 WeakPolarHBondContact O-CB 3.24Å; V906-I910 WeakPolarHBondContact O-CG1 3.41Å; V906-I910 PolarHBondContact O-N 2.98Å; I910-S912 VanDerWaalsContact C-N 3.29Å; I910-S912 PolarHBondContact O-N 3.11Å; I910-K913 PolarHBondContact O-N 3.3Å; I910-L914 HydrophobicContact CG2-CD1 3.81Å; I910-L914 HydrophobicContact CG2-CG 4.23Å; I910-L914 WeakPolarHBondContact O-CB 3.42Å; I910-L914 VanDerWaalsContact O-CG 3.29Å; I910-L914 WeakPolarHBondContact O-CG 3.28Å; I910-L914 PolarHBondContact O-N 3.34Å |
| 911 | L | 95.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 173.2 | 179.6 | 56 | 0 | 0 | 0 | 111.9 | L899 R907 N915 F931 F948 K951 V952 I955 | L899-L911 HydrophobicContact CD1-CB 3.97Å; L899-L911 HydrophobicContact CD1-CD1 4.11Å; R907-L911 VanDerWaalsContact O-CB 3.27Å; R907-L911 WeakPolarHBondContact O-CB 3.36Å; R907-L911 PolarHBondContact O-N 2.99Å; L911-N915 WeakPolarHBondContact O-CB 3.28Å; L911-N915 PolarHBondContact O-N 2.86Å; L911-F931 HydrophobicContact CD1-CE1 3.93Å; L911-F948 HydrophobicContact CD2-CD2 4.47Å; L911-F948 HydrophobicContact CD2-CE2 3.84Å; L911-F948 HydrophobicContact CD2-CZ 4.2Å; L911-K951 HydrophobicContact CD2-CD 4.25Å; L911-K951 HydrophobicContact CD2-CG 4.18Å; L911-V952 HydrophobicContact CD1-CG2 3.93Å; L911-V952 HydrophobicContact CD2-CG2 3.68Å; L911-V952 HydrophobicContact CG-CG2 4.45Å; L911-I955 HydrophobicContact CD1-CD1 3.9Å; L911-I955 HydrophobicContact CD2-CD1 4.21Å; L911-I955 HydrophobicContact CG-CD1 4.01Å |
| 912 | S | 93.9 | Very high | 90 | Very high | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.7 | -175 | 0 | 0 | 0 | 0 | 112.6 | E908 A909 I910 N915 K916 | E908-S912 VanDerWaalsContact O-CB 3.32Å; E908-S912 WeakPolarHBondContact O-CB 3.48Å; E908-S912 PolarHBondContact O-N 2.94Å; A909-S912 WeakPolarHBondContact O-CB 3.44Å; A909-S912 PolarHBondContact O-N 3.1Å; A909-S912 VanDerWaalsContact O-N 3.17Å; I910-S912 VanDerWaalsContact C-N 3.29Å; I910-S912 PolarHBondContact O-N 3.11Å; S912-N915 PolarHBondContact O-N 3.37Å; S912-K916 WeakPolarHBondContact O-CB 3.37Å; S912-K916 PolarHBondContact O-N 3.45Å |
| 913 | K | 93.6 | Very high | 89.9 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -45.4 | 176.1 | -58.2 | -61.6 | -177.2 | -179.3 | 0 | 111.4 | T873 L876 A909 I910 N915 K916 Y917 | T873-K913 HydrophobicContact CG2-CD 3.98Å; T873-K913 HydrophobicContact CG2-CG 4.35Å; T873-K913 WeakPolarHBondContact OG1-CE 3.33Å; L876-K913 HydrophobicContact CD1-CB 4.21Å; A909-K913 WeakPolarHBondContact O-CG 3.31Å; A909-K913 PolarHBondContact O-N 2.77Å; I910-K913 PolarHBondContact O-N 3.3Å; K913-N915 PolarHBondContact O-N 3.27Å; K913-K916 PolarHBondContact O-N 3.02Å; K913-Y917 HydrophobicContact CB-CD2 4.31Å; K913-Y917 HydrophobicContact CB-CE2 3.94Å; K913-Y917 WeakPolarHBondContact O-CD2 3.22Å; K913-Y917 VanDerWaalsContact O-CG 3.27Å; K913-Y917 PolarHBondContact O-N 3.03Å |
| 914 | L | 92.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 176.1 | -74.2 | 174.3 | 0 | 0 | 0 | 111.1 | L876 L899 I910 K916 Y917 V918 L923 F927 F931 | L876-L914 HydrophobicContact CD1-CD2 4.33Å; L876-L914 HydrophobicContact CD2-CD2 3.86Å; L899-L914 HydrophobicContact CD1-CD1 4.38Å; I910-L914 HydrophobicContact CG2-CD1 3.81Å; I910-L914 HydrophobicContact CG2-CG 4.23Å; I910-L914 WeakPolarHBondContact O-CB 3.42Å; I910-L914 VanDerWaalsContact O-CG 3.29Å; I910-L914 WeakPolarHBondContact O-CG 3.28Å; I910-L914 PolarHBondContact O-N 3.34Å; L914-K916 PolarHBondContact O-N 3.39Å; L914-Y917 PolarHBondContact O-N 2.88Å; L914-V918 WeakPolarHBondContact O-CB 3.42Å; L914-V918 WeakPolarHBondContact O-CG2 3.31Å; L914-V918 PolarHBondContact O-N 2.88Å; L914-L923 HydrophobicContact CD2-CD1 3.92Å; L914-F927 HydrophobicContact CD2-CB 4.11Å; L914-F927 HydrophobicContact CD2-CD1 3.89Å; L914-F927 HydrophobicContact CD2-CG 4.34Å; L914-F931 HydrophobicContact CB-CE1 4.11Å; L914-F931 HydrophobicContact CB-CZ 4.31Å; L914-F931 HydrophobicContact CD1-CE1 4.16Å |
| 915 | N | 92 | Very high | 89.1 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 20% | 0.198 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.1 | -52.5 | 175.3 | -175.2 | 0.6 | 0 | 0 | 0 | 111.3 | L911 S912 K913 Y917 V918 K919 I955 | L911-N915 WeakPolarHBondContact O-CB 3.28Å; L911-N915 PolarHBondContact O-N 2.86Å; S912-N915 PolarHBondContact O-N 3.37Å; K913-N915 PolarHBondContact O-N 3.27Å; N915-Y917 VanDerWaalsContact C-N 3.34Å; N915-Y917 PolarHBondContact O-N 3.23Å; N915-V918 PolarHBondContact O-N 3.4Å; N915-K919 WeakPolarHBondContact O-CB 3.41Å; N915-K919 WeakPolarHBondContact O-CG 3.41Å; N915-K919 PolarHBondContact O-N 3.26Å; N915-K919 WeakPolarHBondContact OD1-CD 3.48Å; N915-K919 WeakPolarHBondContact OD1-CE 3.37Å; N915-K919 WeakPolarHBondContact OD1-CG 3.33Å; N915-I955 HydrophobicContact CB-CD1 4.31Å; N915-I955 HydrophobicContact CB-CG2 3.84Å; N915-I955 WeakPolarHBondContact ND2-CD1 3.46Å |
| 916 | K | 89 | Confident | 88.9 | Confident | 137 Ų | 137 | 37 Ų | 37 | 60% | 0.596 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -56.9 | -43.2 | 179.2 | -172.8 | 167.5 | -174.9 | 165.7 | 0 | 112.9 | S912 K913 L914 T920 | S912-K916 WeakPolarHBondContact O-CB 3.37Å; S912-K916 PolarHBondContact O-N 3.45Å; K913-K916 PolarHBondContact O-N 3.02Å; L914-K916 PolarHBondContact O-N 3.39Å; K916-T920 WeakPolarHBondContact O-CG2 3.33Å; K916-T920 PolarHBondContact O-N 3.35Å; K916-T920 PolarHBondContact O-OG1 3.36Å |
| 917 | Y | 88.4 | Confident | 88.7 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -88.5 | -22.8 | -175.1 | -53.6 | -35 | 0 | 0 | 0 | 114.3 | L876 F880 K913 L914 N915 T920 R922 L923 | L876-Y917 HydrophobicContact CB-CD2 4.32Å; L876-Y917 HydrophobicContact CB-CE2 4.29Å; F880-Y917 AromaticContact CE1-CD1 3.92Å; F880-Y917 HydrophobicContact CE1-CD1 3.92Å; F880-Y917 AromaticContact CE1-CD2 3.79Å; F880-Y917 HydrophobicContact CE1-CD2 3.79Å; F880-Y917 HydrophobicContact CE1-CE1 4.43Å; F880-Y917 HydrophobicContact CE1-CE2 4.31Å; F880-Y917 AromaticContact CE1-CG 3.59Å; F880-Y917 HydrophobicContact CE1-CG 3.59Å; F880-Y917 AromaticContact CZ-CD1 3.6Å; F880-Y917 HydrophobicContact CZ-CD1 3.6Å; F880-Y917 AromaticContact CZ-CD2 3.95Å; F880-Y917 HydrophobicContact CZ-CD2 3.95Å; F880-Y917 AromaticContact CZ-CE1 3.72Å; F880-Y917 HydrophobicContact CZ-CE1 3.72Å; F880-Y917 HydrophobicContact CZ-CE2 4.05Å; F880-Y917 AromaticContact CZ-CG 3.74Å; F880-Y917 HydrophobicContact CZ-CG 3.74Å; F880-Y917 AromaticContact CZ-CZ 3.94Å; K913-Y917 HydrophobicContact CB-CD2 4.31Å; K913-Y917 HydrophobicContact CB-CE2 3.94Å; K913-Y917 WeakPolarHBondContact O-CD2 3.22Å; K913-Y917 VanDerWaalsContact O-CG 3.27Å; K913-Y917 PolarHBondContact O-N 3.03Å; L914-Y917 PolarHBondContact O-N 2.88Å; N915-Y917 VanDerWaalsContact C-N 3.34Å; N915-Y917 PolarHBondContact O-N 3.23Å; Y917-T920 WeakPolarHBondContact CA-OG1 3.04Å; Y917-R922 PolarHBondContact O-N 3.06Å; Y917-L923 HydrophobicContact CD2-CD1 4.44Å; Y917-L923 PolarHBondContact O-N 2.82Å; Y917-L923 VanDerWaalsContact O-N 3.11Å |
| 918 | V | 86.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -80.4 | -40.9 | 173.3 | 172.9 | 0 | 0 | 0 | 0 | 111 | L914 N915 T920 A921 L923 L928 S959 R963 | L914-V918 WeakPolarHBondContact O-CB 3.42Å; L914-V918 WeakPolarHBondContact O-CG2 3.31Å; L914-V918 PolarHBondContact O-N 2.88Å; N915-V918 PolarHBondContact O-N 3.4Å; V918-T920 VanDerWaalsContact C-N 3.34Å; V918-A921 PolarHBondContact O-N 2.94Å; V918-A921 VanDerWaalsContact O-N 3.12Å; V918-L923 HydrophobicContact CG2-CB 4.28Å; V918-L923 HydrophobicContact CG2-CD1 4.19Å; V918-L928 HydrophobicContact CG1-CD1 3.72Å; V918-S959 WeakPolarHBondContact CG1-OG 3.43Å; V918-R963 PolarHBondContact O-NH2 3.46Å |
| 919 | K | 81.5 | Confident | 88.2 | Confident | 65 Ų | 65 | 34.2 Ų | 34.2 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.1 | -32.2 | 174.8 | -76.8 | -167.6 | 178.8 | -176.3 | 0 | 113.2 | N915 A921 E958 H962 | N915-K919 WeakPolarHBondContact O-CB 3.41Å; N915-K919 WeakPolarHBondContact O-CG 3.41Å; N915-K919 PolarHBondContact O-N 3.26Å; N915-K919 WeakPolarHBondContact OD1-CD 3.48Å; N915-K919 WeakPolarHBondContact OD1-CE 3.37Å; N915-K919 WeakPolarHBondContact OD1-CG 3.33Å; K919-A921 PolarHBondContact O-N 2.83Å; K919-E958 WeakPolarHBondContact CE-OE2 3.44Å; K919-E958 IonicContact NZ-OE1 2.63Å; K919-E958 PolarHBondContact NZ-OE1 3.45Å; K919-E958 IonicContact NZ-OE2 3.49Å; K919-E958 PolarHBondContact NZ-OE2 3.3Å; K919-H962 PolarHBondContact O-CD2 2.93Å; K919-H962 PolarHBondContact O-NE2 3.41Å |
| 920 | T | 80.5 | Confident | 88.1 | Confident | 82 Ų | 82 | 33 Ų | 33 | 50% | 0.503 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 8.5 | 173.2 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | K916 Y917 V918 R922 | K916-T920 WeakPolarHBondContact O-CG2 3.33Å; K916-T920 PolarHBondContact O-N 3.35Å; K916-T920 PolarHBondContact O-OG1 3.36Å; Y917-T920 WeakPolarHBondContact CA-OG1 3.04Å; V918-T920 VanDerWaalsContact C-N 3.34Å; T920-R922 PolarHBondContact O-N 2.61Å |
| 921 | A | 80.1 | Confident | 88 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 10.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V918 K919 L923 | V918-A921 PolarHBondContact O-N 2.94Å; V918-A921 VanDerWaalsContact O-N 3.12Å; K919-A921 PolarHBondContact O-N 2.83Å; A921-L923 CarbonylContact C-O 3.51Å |
| 922 | R | 82.6 | Confident | 87.8 | Confident | 139 Ų | 139 | 32.8 Ų | 32.8 | 53% | 0.525 | 16% | 0.163 | S | C | . | . | trans | -71.8 | -29.4 | -178.5 | -65.1 | -169.4 | 69 | 148.2 | 6.4 | 113.5 | F880 Y917 T920 | F880-R922 WeakPolarHBondContact CA-O 3.28Å; F880-R922 HydrophobicContact CD1-CB 3.8Å; F880-R922 HydrophobicContact CE1-CB 4.05Å; F880-R922 HydrophobicContact CG-CB 4.17Å; Y917-R922 PolarHBondContact O-N 3.06Å; T920-R922 PolarHBondContact O-N 2.61Å | ||
| 923 | L | 85.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -87.6 | 147.7 | 163.1 | -68 | 173.7 | 0 | 0 | 0 | 109.8 | L876 S879 F880 L914 Y917 V918 A921 F927 R963 | L876-L923 HydrophobicContact CD2-CD1 4.19Å; S879-L923 VanDerWaalsContact CB-CD2 3.46Å; F880-L923 HydrophobicContact CD1-CD2 4.04Å; F880-L923 HydrophobicContact CD1-CG 4.39Å; F880-L923 HydrophobicContact CE1-CD2 4.28Å; F880-L923 HydrophobicContact CE1-CG 4.36Å; L914-L923 HydrophobicContact CD2-CD1 3.92Å; Y917-L923 HydrophobicContact CD2-CD1 4.44Å; Y917-L923 PolarHBondContact O-N 2.82Å; Y917-L923 VanDerWaalsContact O-N 3.11Å; V918-L923 HydrophobicContact CG2-CB 4.28Å; V918-L923 HydrophobicContact CG2-CD1 4.19Å; A921-L923 CarbonylContact C-O 3.51Å; L923-F927 HydrophobicContact CB-CB 4.29Å; L923-F927 HydrophobicContact CB-CD2 4.3Å; L923-F927 HydrophobicContact CD1-CB 3.98Å; L923-F927 HydrophobicContact CD1-CD2 4.29Å; L923-F927 HydrophobicContact CD1-CG 4.03Å; L923-F927 HydrophobicContact CD2-CD2 3.81Å; L923-F927 HydrophobicContact CD2-CE2 4.04Å; L923-F927 HydrophobicContact CD2-CG 4.37Å; L923-F927 HydrophobicContact CG-CD2 4.36Å; L923-R963 VanDerWaalsContact O-CZ 3.27Å; L923-R963 PolarHBondContact O-NH1 3.41Å; L923-R963 PolarHBondContact O-NH2 2.88Å |
| 924 | S | 82.8 | Confident | 87.7 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | trans | -78.7 | 171.3 | 170.1 | 64.5 | 0 | 0 | 0 | 0 | 112 | T926 F927 G982 | S924-T926 PolarHBondContact O-N 2.77Å; S924-T926 PolarHBondContact OG-OG1 3.1Å; S924-F927 PolarHBondContact O-N 3.32Å; S924-G982 WeakPolarHBondContact CA-O 3.37Å; S924-G982 WeakPolarHBondContact CB-O 3.4Å | ||
| 925 | V | 84.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.2 | -4.5 | 179.4 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | F927 L928 A929 G982 N983 Y987 C988 Y991 | V925-F927 VanDerWaalsContact C-N 3.31Å; V925-F927 PolarHBondContact O-N 2.81Å; V925-L928 HydrophobicContact CB-CB 4.34Å; V925-L928 HydrophobicContact CB-CD2 4.49Å; V925-L928 HydrophobicContact CG1-CD2 4.22Å; V925-L928 WeakPolarHBondContact O-CB 3.49Å; V925-L928 PolarHBondContact O-N 2.94Å; V925-A929 PolarHBondContact O-N 3.24Å; V925-G982 PolarHBondContact N-O 2.72Å; V925-N983 WeakPolarHBondContact CG1-O 3.36Å; V925-Y987 HydrophobicContact CG2-CD1 4.4Å; V925-C988 HydrophobicContact CB-CB 4.3Å; V925-Y991 HydrophobicContact CG2-CE2 4.19Å |
| 926 | T | 86.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 9% | 0.092 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 167 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | Y892 S924 A929 Y991 | Y892-T926 PolarHBondContact OH-O 3.02Å; S924-T926 PolarHBondContact O-N 2.77Å; S924-T926 PolarHBondContact OG-OG1 3.1Å; T926-A929 WeakPolarHBondContact O-CB 3.43Å; T926-Y991 HydrophobicContact CG2-CD1 3.97Å; T926-Y991 HydrophobicContact CG2-CD2 4.08Å; T926-Y991 HydrophobicContact CG2-CE1 3.69Å; T926-Y991 HydrophobicContact CG2-CE2 3.81Å; T926-Y991 HydrophobicContact CG2-CG 4.15Å |
| 927 | F | 90.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 4% | 0.044 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -82.8 | -20 | 179.9 | -75.9 | -85.2 | 0 | 0 | 0 | 113 | L876 S879 Y892 L895 L914 L923 S924 V925 A929 A930 | L876-F927 HydrophobicContact CD2-CD1 3.78Å; L876-F927 HydrophobicContact CD2-CE1 3.45Å; L876-F927 VanDerWaalsContact CD2-CE1 3.45Å; L876-F927 HydrophobicContact CD2-CZ 3.98Å; S879-F927 WeakPolarHBondContact OG-CZ 3.15Å; Y892-F927 HydrophobicContact CD2-CE1 4.18Å; Y892-F927 HydrophobicContact CD2-CE2 4.29Å; Y892-F927 AromaticContact CD2-CZ 3.98Å; Y892-F927 HydrophobicContact CD2-CZ 3.98Å; Y892-F927 HydrophobicContact CE2-CD1 4.49Å; Y892-F927 HydrophobicContact CE2-CE1 4.42Å; Y892-F927 HydrophobicContact CE2-CZ 4.46Å; L895-F927 HydrophobicContact CB-CE1 4.28Å; L895-F927 HydrophobicContact CD1-CZ 4.46Å; L914-F927 HydrophobicContact CD2-CB 4.11Å; L914-F927 HydrophobicContact CD2-CD1 3.89Å; L914-F927 HydrophobicContact CD2-CG 4.34Å; L923-F927 HydrophobicContact CB-CB 4.29Å; L923-F927 HydrophobicContact CB-CD2 4.3Å; L923-F927 HydrophobicContact CD1-CB 3.98Å; L923-F927 HydrophobicContact CD1-CD2 4.29Å; L923-F927 HydrophobicContact CD1-CG 4.03Å; L923-F927 HydrophobicContact CD2-CD2 3.81Å; L923-F927 HydrophobicContact CD2-CE2 4.04Å; L923-F927 HydrophobicContact CD2-CG 4.37Å; L923-F927 HydrophobicContact CG-CD2 4.36Å; S924-F927 PolarHBondContact O-N 3.32Å; V925-F927 VanDerWaalsContact C-N 3.31Å; V925-F927 PolarHBondContact O-N 2.81Å; F927-A929 PolarHBondContact O-N 3.21Å; F927-A930 WeakPolarHBondContact O-CB 3.35Å; F927-A930 PolarHBondContact O-N 3.29Å; F927-A930 VanDerWaalsContact O-N 3.13Å |
| 928 | L | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -34.3 | 170.2 | -166 | 71.4 | 0 | 0 | 0 | 111 | V918 V925 A930 F931 F956 V960 P985 C988 | V918-L928 HydrophobicContact CG1-CD1 3.72Å; V925-L928 HydrophobicContact CB-CB 4.34Å; V925-L928 HydrophobicContact CB-CD2 4.49Å; V925-L928 HydrophobicContact CG1-CD2 4.22Å; V925-L928 WeakPolarHBondContact O-CB 3.49Å; V925-L928 PolarHBondContact O-N 2.94Å; L928-A930 VanDerWaalsContact C-N 3.27Å; L928-A930 PolarHBondContact O-N 3.03Å; L928-F931 HydrophobicContact CD1-CD2 4.01Å; L928-F931 HydrophobicContact CD1-CE2 3.88Å; L928-F931 WeakPolarHBondContact O-CB 3.24Å; L928-F931 PolarHBondContact O-N 2.87Å; L928-F956 HydrophobicContact CD1-CD2 3.73Å; L928-F956 HydrophobicContact CD1-CE2 3.99Å; L928-F956 HydrophobicContact CD2-CD2 4.44Å; L928-F956 HydrophobicContact CD2-CE2 3.93Å; L928-F956 HydrophobicContact CG-CD2 3.93Å; L928-F956 HydrophobicContact CG-CE2 3.64Å; L928-V960 HydrophobicContact CD2-CG2 4.33Å; L928-P985 HydrophobicContact CD2-CB 4.08Å; L928-C988 HydrophobicContact CB-CB 4.19Å; L928-C988 HydrophobicContact CD2-CB 4.08Å; L928-C988 HydrophobicContact CG-CB 4.38Å |
| 929 | A | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -66.5 | -22.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V925 T926 F927 F931 S932 C988 A992 L995 | V925-A929 PolarHBondContact O-N 3.24Å; T926-A929 WeakPolarHBondContact O-CB 3.43Å; F927-A929 PolarHBondContact O-N 3.21Å; A929-F931 PolarHBondContact O-N 3.48Å; A929-S932 WeakPolarHBondContact O-CB 3.32Å; A929-S932 PolarHBondContact O-N 3Å; A929-S932 VanDerWaalsContact O-N 3.08Å; A929-S932 PolarHBondContact O-OG 3.3Å; A929-C988 HydrophobicContact CB-CB 4.34Å; A929-C988 WeakPolarHBondContact CB-O 3.4Å; A929-A992 HydrophobicContact CB-CB 4.04Å; A929-L995 HydrophobicContact CB-CD1 4.19Å |
| 930 | A | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -61.1 | -30 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A896 L899 F927 L928 S932 L933 L995 | A896-A930 HydrophobicContact CB-CB 3.92Å; L899-A930 VanDerWaalsContact CD2-O 3.27Å; L899-A930 WeakPolarHBondContact CD2-O 3.41Å; F927-A930 WeakPolarHBondContact O-CB 3.35Å; F927-A930 PolarHBondContact O-N 3.29Å; F927-A930 VanDerWaalsContact O-N 3.13Å; L928-A930 VanDerWaalsContact C-N 3.27Å; L928-A930 PolarHBondContact O-N 3.03Å; A930-S932 PolarHBondContact O-N 3.42Å; A930-S932 VanDerWaalsContact O-N 3.17Å; A930-L933 VanDerWaalsContact O-CB 3.25Å; A930-L933 WeakPolarHBondContact O-CB 3.47Å; A930-L933 WeakPolarHBondContact O-CG 3.48Å; A930-L933 PolarHBondContact O-N 2.97Å; A930-L995 HydrophobicContact CB-CD1 4.42Å |
| 931 | F | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -59.2 | -26.7 | 176 | -60.3 | -30 | 0 | 0 | 0 | 113.4 | L899 L911 L914 L928 A929 L933 A934 V952 I955 F956 F1020 | L899-F931 HydrophobicContact CD2-CD1 3.89Å; L911-F931 HydrophobicContact CD1-CE1 3.93Å; L914-F931 HydrophobicContact CB-CE1 4.11Å; L914-F931 HydrophobicContact CB-CZ 4.31Å; L914-F931 HydrophobicContact CD1-CE1 4.16Å; L928-F931 HydrophobicContact CD1-CD2 4.01Å; L928-F931 HydrophobicContact CD1-CE2 3.88Å; L928-F931 WeakPolarHBondContact O-CB 3.24Å; L928-F931 PolarHBondContact O-N 2.87Å; A929-F931 PolarHBondContact O-N 3.48Å; F931-L933 PolarHBondContact O-N 3.49Å; F931-L933 VanDerWaalsContact O-N 3.12Å; F931-A934 PolarHBondContact O-N 3.19Å; F931-V952 HydrophobicContact CB-CG1 3.7Å; F931-V952 HydrophobicContact CD1-CG1 3.86Å; F931-V952 HydrophobicContact CG-CG1 3.91Å; F931-I955 HydrophobicContact CE2-CG2 4.26Å; F931-I955 HydrophobicContact CZ-CG2 3.99Å; F931-F956 HydrophobicContact CB-CB 4.44Å; F931-F956 HydrophobicContact CB-CD1 3.82Å; F931-F956 HydrophobicContact CB-CE1 4.27Å; F931-F956 HydrophobicContact CB-CG 4.17Å; F931-F956 HydrophobicContact CD2-CB 3.7Å; F931-F956 HydrophobicContact CD2-CD1 4.28Å; F931-F956 HydrophobicContact CD2-CD2 4.01Å; F931-F956 AromaticContact CD2-CG 3.74Å; F931-F956 HydrophobicContact CD2-CG 3.74Å; F931-F956 HydrophobicContact CE2-CB 4.33Å; F931-F956 HydrophobicContact CG-CB 4.38Å; F931-F956 HydrophobicContact CG-CG 4.42Å; F931-F1020 HydrophobicContact CB-CE1 4.36Å; F931-F1020 WeakPolarHBondContact O-CD1 3.3Å; F931-F1020 WeakPolarHBondContact O-CE1 3.47Å |
| 932 | S | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -60.9 | -18.5 | 173.9 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | A929 A930 P935 C1017 | A929-S932 WeakPolarHBondContact O-CB 3.32Å; A929-S932 PolarHBondContact O-N 3Å; A929-S932 VanDerWaalsContact O-N 3.08Å; A929-S932 PolarHBondContact O-OG 3.3Å; A930-S932 PolarHBondContact O-N 3.42Å; A930-S932 VanDerWaalsContact O-N 3.17Å; S932-P935 WeakPolarHBondContact O-CD 3.48Å; S932-C1017 WeakPolarHBondContact O-CA 3.49Å; S932-C1017 WeakPolarHBondContact O-CB 3.4Å; S932-C1017 PolarHBondContact O-SG 3.28Å |
| 933 | L | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -77.1 | -21.5 | 179.1 | -61.9 | 165.8 | 0 | 0 | 0 | 113.2 | A896 Y897 I900 A930 F931 P935 L936 L995 L996 | A896-L933 HydrophobicContact CB-CD1 4Å; A896-L933 WeakPolarHBondContact O-CD1 3.49Å; Y897-L933 HydrophobicContact CD1-CD1 3.72Å; Y897-L933 HydrophobicContact CD1-CD2 4.1Å; Y897-L933 HydrophobicContact CE1-CD1 4.18Å; Y897-L933 HydrophobicContact CE1-CD2 3.98Å; I900-L933 HydrophobicContact CD1-CB 4.21Å; I900-L933 HydrophobicContact CG2-CB 4.29Å; I900-L933 WeakPolarHBondContact CG2-O 3.32Å; A930-L933 VanDerWaalsContact O-CB 3.25Å; A930-L933 WeakPolarHBondContact O-CB 3.47Å; A930-L933 WeakPolarHBondContact O-CG 3.48Å; A930-L933 PolarHBondContact O-N 2.97Å; F931-L933 PolarHBondContact O-N 3.49Å; F931-L933 VanDerWaalsContact O-N 3.12Å; L933-P935 VanDerWaalsContact C-CD 3.43Å; L933-P935 VanDerWaalsContact C-N 3.33Å; L933-P935 VanDerWaalsContact O-N 3.15Å; L933-L936 HydrophobicContact CD2-CD1 4.13Å; L933-L936 VanDerWaalsContact O-CB 3.31Å; L933-L936 WeakPolarHBondContact O-CB 3.41Å; L933-L936 PolarHBondContact O-N 3.28Å; L933-L995 HydrophobicContact CD1-CD1 4.29Å; L933-L996 HydrophobicContact CD2-CD2 3.95Å |
| 934 | A | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -53.5 | -36.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | F931 L936 L937 V949 V952 | F931-A934 PolarHBondContact O-N 3.19Å; A934-L936 PolarHBondContact O-N 3.34Å; A934-L937 WeakPolarHBondContact O-CB 3.44Å; A934-L937 PolarHBondContact O-N 3.13Å; A934-V949 HydrophobicContact CB-CG2 4.25Å; A934-V952 HydrophobicContact CB-CB 4.24Å; A934-V952 HydrophobicContact CB-CG1 4.07Å; A934-V952 HydrophobicContact CB-CG2 4.24Å |
| 935 | P | 89.9 | Confident | 88.6 | Confident | 27 Ų | 27 | 30.6 Ų | 30.6 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -64.2 | -16.4 | 173.6 | -23.4 | 35.8 | 0 | 0 | 0 | 115.3 | S932 L933 L937 K945 F1020 | S932-P935 WeakPolarHBondContact O-CD 3.48Å; L933-P935 VanDerWaalsContact C-CD 3.43Å; L933-P935 VanDerWaalsContact C-N 3.33Å; L933-P935 VanDerWaalsContact O-N 3.15Å; P935-L937 VanDerWaalsContact C-N 3.31Å; P935-K945 VanDerWaalsContact O-CE 3.26Å; P935-K945 WeakPolarHBondContact O-CE 3.4Å; P935-K945 PolarHBondContact O-NZ 3.12Å; P935-F1020 HydrophobicContact CG-CB 3.92Å; P935-F1020 HydrophobicContact CG-CD2 4.12Å; P935-F1020 HydrophobicContact CG-CG 4Å |
| 936 | L | 91 | Very high | 88.7 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -81 | -5.5 | 175.5 | -58 | 178.2 | 0 | 0 | 0 | 113.7 | I900 L933 A934 T938 L996 Y999 M1010 K1013 L1014 C1017 | I900-L936 HydrophobicContact CD1-CB 4.06Å; L933-L936 HydrophobicContact CD2-CD1 4.13Å; L933-L936 VanDerWaalsContact O-CB 3.31Å; L933-L936 WeakPolarHBondContact O-CB 3.41Å; L933-L936 PolarHBondContact O-N 3.28Å; A934-L936 PolarHBondContact O-N 3.34Å; L936-T938 PolarHBondContact O-N 3.13Å; L936-L996 HydrophobicContact CD1-CD2 4.03Å; L936-Y999 HydrophobicContact CB-CE2 4.47Å; L936-Y999 HydrophobicContact CD1-CD1 4.16Å; L936-Y999 HydrophobicContact CD1-CD2 3.69Å; L936-Y999 HydrophobicContact CD1-CE1 4.03Å; L936-Y999 HydrophobicContact CD1-CE2 3.59Å; L936-Y999 HydrophobicContact CD1-CG 3.98Å; L936-M1010 HydrophobicContact CD2-CE 4.2Å; L936-K1013 HydrophobicContact CD2-CB 4Å; L936-L1014 HydrophobicContact CD1-CD2 4.32Å; L936-L1014 HydrophobicContact CD2-CD2 4.37Å; L936-C1017 WeakPolarHBondContact CD2-SG 3.49Å; L936-C1017 WeakPolarHBondContact CG-SG 3.48Å |
| 937 | L | 91.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | trans | -56.4 | 123.8 | 179.2 | -179.1 | 57.9 | 0 | 0 | 0 | 111.6 | I900 A934 P935 V940 K945 F948 | I900-L937 HydrophobicContact CB-CD1 4.42Å; I900-L937 HydrophobicContact CG2-CB 4.19Å; A934-L937 WeakPolarHBondContact O-CB 3.44Å; A934-L937 PolarHBondContact O-N 3.13Å; P935-L937 VanDerWaalsContact C-N 3.31Å; L937-V940 HydrophobicContact CD1-CG2 4.47Å; L937-V940 HydrophobicContact CD2-CG2 3.94Å; L937-V940 HydrophobicContact CG-CG2 3.78Å; L937-K945 WeakPolarHBondContact O-CD 3.39Å; L937-K945 WeakPolarHBondContact O-CE 3.25Å; L937-K945 PolarHBondContact O-NZ 2.92Å; L937-F948 HydrophobicContact CD2-CB 4.47Å; L937-F948 HydrophobicContact CD2-CD1 3.8Å; L937-F948 HydrophobicContact CD2-CE1 4.35Å; L937-F948 HydrophobicContact CD2-CG 4.26Å | ||
| 938 | T | 86.4 | Confident | 88.9 | Confident | 87 Ų | 87 | 39.9 Ų | 39.9 | 53% | 0.534 | 25% | 0.251 | S | S | . | . | trans | -122.9 | 175.7 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | L936 V940 | L936-T938 PolarHBondContact O-N 3.13Å; T938-V940 VanDerWaalsContact C-N 3.25Å; T938-V940 PolarHBondContact O-N 2.95Å | ||
| 939 | G | 81.1 | Confident | 89 | Confident | 91 Ų | 91 | 41.2 Ų | 41.2 | 94% | 0.938 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 72.8 | 7.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 940 | V | 88.2 | Confident | 89 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -124.1 | 162.6 | -179.1 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | L937 T938 K945 | L937-V940 HydrophobicContact CD1-CG2 4.47Å; L937-V940 HydrophobicContact CD2-CG2 3.94Å; L937-V940 HydrophobicContact CG-CG2 3.78Å; T938-V940 VanDerWaalsContact C-N 3.25Å; T938-V940 PolarHBondContact O-N 2.95Å; V940-K945 HydrophobicContact CG2-CB 4Å |
| 941 | S | 87.4 | Confident | 88.9 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | trans | -62.1 | 148.8 | 174.2 | 74.4 | 0 | 0 | 0 | 0 | 111.9 | V943 E944 K945 | S941-V943 PolarHBondContact O-N 2.87Å; S941-E944 PolarHBondContact O-N 3.36Å; S941-E944 VanDerWaalsContact OG-CB 3.29Å; S941-E944 WeakPolarHBondContact OG-CB 3.15Å; S941-E944 PolarHBondContact OG-N 3.01Å; S941-E944 VanDerWaalsContact OG-N 3.15Å; S941-K945 PolarHBondContact O-N 3.47Å | ||
| 942 | A | 82.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 50.7 Ų | 50.7 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.8 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K945 T946 | A942-K945 PolarHBondContact O-N 3.4Å; A942-T946 PolarHBondContact O-N 3.41Å; A942-T946 PolarHBondContact O-OG1 3.1Å; A942-T946 VanDerWaalsContact O-OG1 3.04Å |
| 943 | V | 86.1 | Confident | 88.6 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.2 | -40.9 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | S941 K947 | S941-V943 PolarHBondContact O-N 2.87Å; V943-K947 HydrophobicContact CG1-CD 4.34Å; V943-K947 WeakPolarHBondContact O-CG 3.28Å; V943-K947 PolarHBondContact O-N 3.42Å |
| 944 | E | 88.5 | Confident | 88.3 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 174.5 | -173.9 | -171.3 | 163 | 0 | 0 | 111 | R907 S941 T946 K947 F948 | R907-E944 IonicContact CZ-OE1 3.11Å; R907-E944 IonicContact NH2-OE1 3.69Å; R907-E944 PolarHBondContact NH2-OE1 3.04Å; S941-E944 PolarHBondContact O-N 3.36Å; S941-E944 VanDerWaalsContact OG-CB 3.29Å; S941-E944 WeakPolarHBondContact OG-CB 3.15Å; S941-E944 PolarHBondContact OG-N 3.01Å; S941-E944 VanDerWaalsContact OG-N 3.15Å; E944-T946 PolarHBondContact O-N 2.9Å; E944-K947 PolarHBondContact O-N 3.23Å; E944-F948 WeakPolarHBondContact O-CB 3.49Å; E944-F948 PolarHBondContact O-N 3.03Å |
| 945 | K | 88.6 | Confident | 88.1 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 27% | 0.274 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.2 | -49 | 177.8 | -177.1 | 171.3 | -178.5 | 164 | 0 | 111.6 | P935 L937 V940 S941 A942 F948 V949 | P935-K945 VanDerWaalsContact O-CE 3.26Å; P935-K945 WeakPolarHBondContact O-CE 3.4Å; P935-K945 PolarHBondContact O-NZ 3.12Å; L937-K945 WeakPolarHBondContact O-CD 3.39Å; L937-K945 WeakPolarHBondContact O-CE 3.25Å; L937-K945 PolarHBondContact O-NZ 2.92Å; V940-K945 HydrophobicContact CG2-CB 4Å; S941-K945 PolarHBondContact O-N 3.47Å; A942-K945 PolarHBondContact O-N 3.4Å; K945-F948 PolarHBondContact O-N 2.72Å; K945-V949 HydrophobicContact CG-CG2 4.33Å; K945-V949 WeakPolarHBondContact O-CB 3.45Å; K945-V949 VanDerWaalsContact O-CG2 3.27Å; K945-V949 WeakPolarHBondContact O-CG2 3.33Å; K945-V949 PolarHBondContact O-N 3.41Å |
| 946 | T | 86.8 | Confident | 88.1 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.4 | -51.5 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | A942 E944 F948 V949 E950 | A942-T946 PolarHBondContact O-N 3.41Å; A942-T946 PolarHBondContact O-OG1 3.1Å; A942-T946 VanDerWaalsContact O-OG1 3.04Å; E944-T946 PolarHBondContact O-N 2.9Å; T946-F948 VanDerWaalsContact C-N 3.3Å; T946-F948 PolarHBondContact O-N 2.91Å; T946-V949 PolarHBondContact O-N 3.38Å; T946-E950 HydrophobicContact CG2-CG 4.32Å; T946-E950 WeakPolarHBondContact CG2-OE1 3.22Å; T946-E950 WeakPolarHBondContact O-CB 3.41Å; T946-E950 VanDerWaalsContact O-CG 3.3Å; T946-E950 WeakPolarHBondContact O-CG 3.43Å; T946-E950 PolarHBondContact O-N 3.49Å |
| 947 | K | 89.3 | Confident | 87.6 | Confident | 136 Ų | 136 | 60.7 Ų | 60.7 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.5 | -37.5 | 178.7 | -72 | 177.3 | 178.7 | -177.7 | 0 | 113.3 | V943 E944 K951 | V943-K947 HydrophobicContact CG1-CD 4.34Å; V943-K947 WeakPolarHBondContact O-CG 3.28Å; V943-K947 PolarHBondContact O-N 3.42Å; E944-K947 PolarHBondContact O-N 3.23Å; K947-K951 VanDerWaalsContact O-CB 3.27Å; K947-K951 WeakPolarHBondContact O-CB 3.42Å; K947-K951 PolarHBondContact O-N 3.34Å; K947-K951 VanDerWaalsContact O-N 3.11Å |
| 948 | F | 91.9 | Very high | 87.2 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.044 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.3 | -44.4 | 176.8 | -174.8 | -98.5 | 0 | 0 | 0 | 111.5 | L899 R907 L911 L937 E944 K945 T946 K951 V952 | L899-F948 HydrophobicContact CD1-CZ 4.03Å; L899-F948 HydrophobicContact CG-CZ 4.46Å; L899-F948 WeakPolarHBondContact O-CZ 3.43Å; R907-F948 HydrophobicContact CB-CE2 3.88Å; R907-F948 HydrophobicContact CB-CZ 3.91Å; R907-F948 HydrophobicContact CG-CZ 4.46Å; L911-F948 HydrophobicContact CD2-CD2 4.47Å; L911-F948 HydrophobicContact CD2-CE2 3.84Å; L911-F948 HydrophobicContact CD2-CZ 4.2Å; L937-F948 HydrophobicContact CD2-CB 4.47Å; L937-F948 HydrophobicContact CD2-CD1 3.8Å; L937-F948 HydrophobicContact CD2-CE1 4.35Å; L937-F948 HydrophobicContact CD2-CG 4.26Å; E944-F948 WeakPolarHBondContact O-CB 3.49Å; E944-F948 PolarHBondContact O-N 3.03Å; K945-F948 PolarHBondContact O-N 2.72Å; T946-F948 VanDerWaalsContact C-N 3.3Å; T946-F948 PolarHBondContact O-N 2.91Å; F948-K951 PolarHBondContact O-N 3.44Å; F948-V952 HydrophobicContact CD1-CG2 4.2Å; F948-V952 HydrophobicContact CE1-CG2 3.88Å; F948-V952 HydrophobicContact CZ-CG2 4.12Å; F948-V952 VanDerWaalsContact O-CG2 3.32Å; F948-V952 WeakPolarHBondContact O-CG2 3.27Å; F948-V952 PolarHBondContact O-N 2.85Å |
| 949 | V | 90 | Very high | 87.2 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -42 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | A934 K945 T946 V952 E953 F1020 | A934-V949 HydrophobicContact CB-CG2 4.25Å; K945-V949 HydrophobicContact CG-CG2 4.33Å; K945-V949 WeakPolarHBondContact O-CB 3.45Å; K945-V949 VanDerWaalsContact O-CG2 3.27Å; K945-V949 WeakPolarHBondContact O-CG2 3.33Å; K945-V949 PolarHBondContact O-N 3.41Å; T946-V949 PolarHBondContact O-N 3.38Å; V949-V952 PolarHBondContact O-N 3Å; V949-E953 PolarHBondContact O-N 3.2Å; V949-F1020 HydrophobicContact CG1-CD2 4.12Å; V949-F1020 HydrophobicContact CG1-CE2 3.55Å; V949-F1020 HydrophobicContact CG1-CZ 4.36Å |
| 950 | E | 87.7 | Confident | 87.1 | Confident | 116 Ų | 116 | 56 Ų | 56 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 173.8 | -72 | 168.5 | 159.6 | 0 | 0 | 111.7 | T946 V952 E953 E954 | T946-E950 HydrophobicContact CG2-CG 4.32Å; T946-E950 WeakPolarHBondContact CG2-OE1 3.22Å; T946-E950 WeakPolarHBondContact O-CB 3.41Å; T946-E950 VanDerWaalsContact O-CG 3.3Å; T946-E950 WeakPolarHBondContact O-CG 3.43Å; T946-E950 PolarHBondContact O-N 3.49Å; E950-V952 VanDerWaalsContact C-N 3.32Å; E950-V952 PolarHBondContact O-N 2.64Å; E950-E953 PolarHBondContact O-N 2.7Å; E950-E953 VanDerWaalsContact O-N 3.11Å; E950-E954 PolarHBondContact O-N 3.19Å |
| 951 | K | 91 | Very high | 86.6 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 37% | 0.365 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 176.8 | -179.1 | 179.8 | 175.9 | 177.6 | 0 | 112.6 | E908 L911 K947 F948 I955 | E908-K951 IonicContact OE1-NZ 2.77Å; E908-K951 PolarHBondContact OE1-NZ 2.73Å; L911-K951 HydrophobicContact CD2-CD 4.25Å; L911-K951 HydrophobicContact CD2-CG 4.18Å; K947-K951 VanDerWaalsContact O-CB 3.27Å; K947-K951 WeakPolarHBondContact O-CB 3.42Å; K947-K951 PolarHBondContact O-N 3.34Å; K947-K951 VanDerWaalsContact O-N 3.11Å; F948-K951 PolarHBondContact O-N 3.44Å; K951-I955 HydrophobicContact CG-CD1 4.3Å; K951-I955 VanDerWaalsContact O-CD1 3.32Å; K951-I955 WeakPolarHBondContact O-CD1 3.16Å; K951-I955 VanDerWaalsContact O-CG1 3.27Å; K951-I955 WeakPolarHBondContact O-CG1 3.33Å; K951-I955 PolarHBondContact O-N 2.95Å |
| 952 | V | 92.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 173.7 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L911 F931 A934 F948 V949 E950 I955 F956 F1020 | L911-V952 HydrophobicContact CD1-CG2 3.93Å; L911-V952 HydrophobicContact CD2-CG2 3.68Å; L911-V952 HydrophobicContact CG-CG2 4.45Å; F931-V952 HydrophobicContact CB-CG1 3.7Å; F931-V952 HydrophobicContact CD1-CG1 3.86Å; F931-V952 HydrophobicContact CG-CG1 3.91Å; A934-V952 HydrophobicContact CB-CB 4.24Å; A934-V952 HydrophobicContact CB-CG1 4.07Å; A934-V952 HydrophobicContact CB-CG2 4.24Å; F948-V952 HydrophobicContact CD1-CG2 4.2Å; F948-V952 HydrophobicContact CE1-CG2 3.88Å; F948-V952 HydrophobicContact CZ-CG2 4.12Å; F948-V952 VanDerWaalsContact O-CG2 3.32Å; F948-V952 WeakPolarHBondContact O-CG2 3.27Å; F948-V952 PolarHBondContact O-N 2.85Å; V949-V952 PolarHBondContact O-N 3Å; E950-V952 VanDerWaalsContact C-N 3.32Å; E950-V952 PolarHBondContact O-N 2.64Å; V952-I955 PolarHBondContact O-N 2.84Å; V952-F956 VanDerWaalsContact O-CB 3.25Å; V952-F956 WeakPolarHBondContact O-CB 3.43Å; V952-F956 PolarHBondContact O-N 3.38Å; V952-F1020 HydrophobicContact CB-CZ 4.15Å; V952-F1020 HydrophobicContact CG1-CE1 3.89Å; V952-F1020 HydrophobicContact CG1-CZ 3.86Å |
| 953 | E | 85.1 | Confident | 86.2 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | -179.1 | -152.4 | -168.7 | 127.6 | 0 | 0 | 112 | V949 E950 F956 L957 F1020 K1023 P1024 | V949-E953 PolarHBondContact O-N 3.2Å; E950-E953 PolarHBondContact O-N 2.7Å; E950-E953 VanDerWaalsContact O-N 3.11Å; E953-F956 PolarHBondContact O-N 3.08Å; E953-L957 WeakPolarHBondContact O-CB 3.45Å; E953-L957 PolarHBondContact O-N 2.91Å; E953-F1020 HydrophobicContact CB-CE2 3.71Å; E953-F1020 HydrophobicContact CB-CZ 3.77Å; E953-F1020 HydrophobicContact CG-CD2 4.44Å; E953-F1020 HydrophobicContact CG-CE2 3.77Å; E953-F1020 HydrophobicContact CG-CZ 4.02Å; E953-K1023 WeakPolarHBondContact OE1-CD 3.21Å; E953-K1023 WeakPolarHBondContact OE1-CE 3.37Å; E953-K1023 IonicContact OE1-NZ 3.69Å; E953-K1023 PolarHBondContact OE1-NZ 2.85Å; E953-K1023 IonicContact OE2-NZ 2.73Å; E953-K1023 PolarHBondContact OE2-NZ 3.08Å; E953-P1024 HydrophobicContact CG-CG 4.46Å |
| 954 | E | 85.3 | Confident | 85.7 | Confident | 132 Ų | 132 | 54 Ų | 54 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.1 | -53.7 | 174.5 | -176.7 | 175.8 | -143.9 | 0 | 0 | 111.3 | E950 F956 L957 E958 | E950-E954 PolarHBondContact O-N 3.19Å; E954-F956 VanDerWaalsContact C-N 3.27Å; E954-F956 PolarHBondContact O-N 3.08Å; E954-L957 PolarHBondContact O-N 3.21Å; E954-E958 WeakPolarHBondContact O-CG 3.21Å; E954-E958 PolarHBondContact O-N 3.37Å |
| 955 | I | 90.1 | Very high | 84.8 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -38.1 | 179 | -70 | 168.5 | 0 | 0 | 0 | 111.7 | L911 N915 F931 K951 V952 S959 | L911-I955 HydrophobicContact CD1-CD1 3.9Å; L911-I955 HydrophobicContact CD2-CD1 4.21Å; L911-I955 HydrophobicContact CG-CD1 4.01Å; N915-I955 HydrophobicContact CB-CD1 4.31Å; N915-I955 HydrophobicContact CB-CG2 3.84Å; N915-I955 WeakPolarHBondContact ND2-CD1 3.46Å; F931-I955 HydrophobicContact CE2-CG2 4.26Å; F931-I955 HydrophobicContact CZ-CG2 3.99Å; K951-I955 HydrophobicContact CG-CD1 4.3Å; K951-I955 VanDerWaalsContact O-CD1 3.32Å; K951-I955 WeakPolarHBondContact O-CD1 3.16Å; K951-I955 VanDerWaalsContact O-CG1 3.27Å; K951-I955 WeakPolarHBondContact O-CG1 3.33Å; K951-I955 PolarHBondContact O-N 2.95Å; V952-I955 PolarHBondContact O-N 2.84Å; I955-S959 VanDerWaalsContact O-CB 3.31Å; I955-S959 WeakPolarHBondContact O-CB 3.26Å; I955-S959 PolarHBondContact O-N 3.22Å; I955-S959 VanDerWaalsContact O-N 3.08Å; I955-S959 PolarHBondContact O-OG 3.06Å |
| 956 | F | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -46.7 | 177.9 | -173.5 | -176.2 | 0 | 0 | 0 | 111 | L928 F931 V952 E953 E954 E958 S959 V960 F1020 P1024 | L928-F956 HydrophobicContact CD1-CD2 3.73Å; L928-F956 HydrophobicContact CD1-CE2 3.99Å; L928-F956 HydrophobicContact CD2-CD2 4.44Å; L928-F956 HydrophobicContact CD2-CE2 3.93Å; L928-F956 HydrophobicContact CG-CD2 3.93Å; L928-F956 HydrophobicContact CG-CE2 3.64Å; F931-F956 HydrophobicContact CB-CB 4.44Å; F931-F956 HydrophobicContact CB-CD1 3.82Å; F931-F956 HydrophobicContact CB-CE1 4.27Å; F931-F956 HydrophobicContact CB-CG 4.17Å; F931-F956 HydrophobicContact CD2-CB 3.7Å; F931-F956 HydrophobicContact CD2-CD1 4.28Å; F931-F956 HydrophobicContact CD2-CD2 4.01Å; F931-F956 AromaticContact CD2-CG 3.74Å; F931-F956 HydrophobicContact CD2-CG 3.74Å; F931-F956 HydrophobicContact CE2-CB 4.33Å; F931-F956 HydrophobicContact CG-CB 4.38Å; F931-F956 HydrophobicContact CG-CG 4.42Å; V952-F956 VanDerWaalsContact O-CB 3.25Å; V952-F956 WeakPolarHBondContact O-CB 3.43Å; V952-F956 PolarHBondContact O-N 3.38Å; E953-F956 PolarHBondContact O-N 3.08Å; E954-F956 VanDerWaalsContact C-N 3.27Å; E954-F956 PolarHBondContact O-N 3.08Å; F956-E958 PolarHBondContact O-N 3.02Å; F956-S959 WeakPolarHBondContact O-CB 3.34Å; F956-S959 PolarHBondContact O-N 2.7Å; F956-S959 VanDerWaalsContact O-N 3.11Å; F956-V960 HydrophobicContact CD2-CG2 3.69Å; F956-V960 HydrophobicContact CE2-CG2 3.61Å; F956-V960 WeakPolarHBondContact O-CG2 3.08Å; F956-V960 PolarHBondContact O-N 3.13Å; F956-F1020 HydrophobicContact CD1-CD1 4.25Å; F956-F1020 AromaticContact CD1-CE1 3.91Å; F956-F1020 HydrophobicContact CD1-CE1 3.91Å; F956-F1020 HydrophobicContact CE1-CD1 4.34Å; F956-F1020 HydrophobicContact CE1-CE1 4.43Å; F956-F1020 WeakPolarHBondContact CE1-O 3.35Å; F956-P1024 HydrophobicContact CD1-CG 3.94Å; F956-P1024 HydrophobicContact CE1-CG 4.08Å; F956-P1024 HydrophobicContact CG-CG 4.28Å |
| 957 | L | 81.3 | Confident | 83.4 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 177.7 | -178 | 61.6 | 0 | 0 | 0 | 112 | E953 E954 S959 V960 Q961 P1024 | E953-L957 WeakPolarHBondContact O-CB 3.45Å; E953-L957 PolarHBondContact O-N 2.91Å; E954-L957 PolarHBondContact O-N 3.21Å; L957-S959 VanDerWaalsContact C-N 3.29Å; L957-S959 PolarHBondContact O-N 3.44Å; L957-V960 PolarHBondContact O-N 3.14Å; L957-Q961 VanDerWaalsContact O-CG 3.31Å; L957-Q961 WeakPolarHBondContact O-CG 3.49Å; L957-Q961 PolarHBondContact O-N 3.08Å; L957-P1024 HydrophobicContact CB-CB 4.44Å; L957-P1024 HydrophobicContact CD1-CB 4.11Å |
| 958 | E | 82.3 | Confident | 82.3 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.2 | -43.7 | 172.3 | -70.9 | -177.1 | 98.3 | 0 | 0 | 111.8 | K919 E954 F956 Q961 H962 | K919-E958 WeakPolarHBondContact CE-OE2 3.44Å; K919-E958 IonicContact NZ-OE1 2.63Å; K919-E958 PolarHBondContact NZ-OE1 3.45Å; K919-E958 IonicContact NZ-OE2 3.49Å; K919-E958 PolarHBondContact NZ-OE2 3.3Å; E954-E958 WeakPolarHBondContact O-CG 3.21Å; E954-E958 PolarHBondContact O-N 3.37Å; F956-E958 PolarHBondContact O-N 3.02Å; E958-Q961 PolarHBondContact O-N 2.87Å; E958-H962 WeakPolarHBondContact O-CB 3.3Å; E958-H962 PolarHBondContact O-N 3.05Å |
| 959 | S | 85.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -179 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | V918 I955 F956 L957 R963 | V918-S959 WeakPolarHBondContact CG1-OG 3.43Å; I955-S959 VanDerWaalsContact O-CB 3.31Å; I955-S959 WeakPolarHBondContact O-CB 3.26Å; I955-S959 PolarHBondContact O-N 3.22Å; I955-S959 VanDerWaalsContact O-N 3.08Å; I955-S959 PolarHBondContact O-OG 3.06Å; F956-S959 WeakPolarHBondContact O-CB 3.34Å; F956-S959 PolarHBondContact O-N 2.7Å; F956-S959 VanDerWaalsContact O-N 3.11Å; L957-S959 VanDerWaalsContact C-N 3.29Å; L957-S959 PolarHBondContact O-N 3.44Å; S959-R963 PolarHBondContact O-N 3.39Å; S959-R963 VanDerWaalsContact O-N 3.11Å |
| 960 | V | 79.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 174.1 | 169 | 0 | 0 | 0 | 0 | 110.3 | L928 F956 L957 R964 P985 P1024 L1025 | L928-V960 HydrophobicContact CD2-CG2 4.33Å; F956-V960 HydrophobicContact CD2-CG2 3.69Å; F956-V960 HydrophobicContact CE2-CG2 3.61Å; F956-V960 WeakPolarHBondContact O-CG2 3.08Å; F956-V960 PolarHBondContact O-N 3.13Å; L957-V960 PolarHBondContact O-N 3.14Å; V960-R964 WeakPolarHBondContact O-CB 3.33Å; V960-R964 WeakPolarHBondContact O-CG 3.46Å; V960-R964 PolarHBondContact O-N 3.1Å; V960-P985 HydrophobicContact CB-CB 4.37Å; V960-P985 HydrophobicContact CG1-CB 4.1Å; V960-P985 HydrophobicContact CG1-CG 4.46Å; V960-P985 HydrophobicContact CG2-CB 4.08Å; V960-P1024 HydrophobicContact CG2-CB 4.48Å; V960-L1025 HydrophobicContact CG1-CD2 4.05Å; V960-L1025 HydrophobicContact CG2-CD2 3.9Å |
| 961 | Q | 78.2 | Confident | 78.6 | Confident | 111 Ų | 111 | 52.2 Ų | 52.2 | 52% | 0.519 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 178.1 | -70.1 | 177.9 | 16.5 | 0 | 0 | 111.6 | L957 E958 R963 R964 S965 | L957-Q961 VanDerWaalsContact O-CG 3.31Å; L957-Q961 WeakPolarHBondContact O-CG 3.49Å; L957-Q961 PolarHBondContact O-N 3.08Å; E958-Q961 PolarHBondContact O-N 2.87Å; Q961-R963 PolarHBondContact O-N 3.13Å; Q961-R964 PolarHBondContact O-N 2.82Å; Q961-S965 WeakPolarHBondContact O-CB 3.39Å; Q961-S965 PolarHBondContact O-N 2.78Å |
| 962 | H | 79 | Confident | 77.2 | Confident | 73 Ų | 73 | 51 Ų | 51 | 34% | 0.338 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 178.2 | -177.9 | 84.2 | 0 | 0 | 0 | 111.9 | K919 E958 S965 L966 | K919-H962 PolarHBondContact O-CD2 2.93Å; K919-H962 PolarHBondContact O-NE2 3.41Å; E958-H962 WeakPolarHBondContact O-CB 3.3Å; E958-H962 PolarHBondContact O-N 3.05Å; H962-S965 CarbonylContact O-C 3.56Å; H962-S965 WeakPolarHBondContact O-CA 3.5Å; H962-S965 VanDerWaalsContact O-CB 3.24Å; H962-S965 WeakPolarHBondContact O-CB 3.37Å; H962-S965 PolarHBondContact O-N 3.32Å; H962-S965 VanDerWaalsContact O-N 3.1Å; H962-L966 PolarHBondContact O-N 2.65Å |
| 963 | R | 81.7 | Confident | 76 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | -179.7 | -72.3 | -169.8 | -163.4 | -110.3 | -0.2 | 113.7 | V918 L923 S959 Q961 S965 L966 I967 N983 P985 | V918-R963 PolarHBondContact O-NH2 3.46Å; L923-R963 VanDerWaalsContact O-CZ 3.27Å; L923-R963 PolarHBondContact O-NH1 3.41Å; L923-R963 PolarHBondContact O-NH2 2.88Å; S959-R963 PolarHBondContact O-N 3.39Å; S959-R963 VanDerWaalsContact O-N 3.11Å; Q961-R963 PolarHBondContact O-N 3.13Å; R963-S965 PolarHBondContact O-N 2.77Å; R963-L966 PolarHBondContact O-N 2.86Å; R963-I967 WeakPolarHBondContact O-CG1 3.27Å; R963-I967 PolarHBondContact O-N 3.48Å; R963-N983 VanDerWaalsContact CD-O 3.22Å; R963-N983 WeakPolarHBondContact CD-O 3.43Å; R963-N983 PolarHBondContact NH1-OD1 3.07Å; R963-P985 HydrophobicContact CB-CG 3.67Å |
| 964 | R | 76.8 | Confident | 75.1 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.5 | -33.5 | 170.4 | -78.6 | 171.1 | 166.9 | 178.8 | -12 | 111.6 | V960 Q961 R968 P985 E986 L1025 | V960-R964 WeakPolarHBondContact O-CB 3.33Å; V960-R964 WeakPolarHBondContact O-CG 3.46Å; V960-R964 PolarHBondContact O-N 3.1Å; Q961-R964 PolarHBondContact O-N 2.82Å; R964-R968 WeakPolarHBondContact O-CB 3.21Å; R964-R968 PolarHBondContact O-N 2.95Å; R964-P985 HydrophobicContact CG-CG 4.22Å; R964-E986 IonicContact CZ-OE1 3.43Å; R964-E986 IonicContact NE-OE1 2.73Å; R964-E986 PolarHBondContact NE-OE1 2.97Å; R964-E986 IonicContact NH2-OE1 3.61Å; R964-E986 PolarHBondContact NH2-OE1 3.38Å; R964-L1025 VanDerWaalsContact CZ-O 3.24Å; R964-L1025 PolarHBondContact NH1-O 3.38Å; R964-L1025 PolarHBondContact NH2-O 3.39Å |
| 965 | S | 68.3 | Low | 74.2 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.2 | -49 | 173 | -136.8 | 0 | 0 | 0 | 0 | 112.2 | Q961 H962 R963 I967 R968 R969 | Q961-S965 WeakPolarHBondContact O-CB 3.39Å; Q961-S965 PolarHBondContact O-N 2.78Å; H962-S965 CarbonylContact O-C 3.56Å; H962-S965 WeakPolarHBondContact O-CA 3.5Å; H962-S965 VanDerWaalsContact O-CB 3.24Å; H962-S965 WeakPolarHBondContact O-CB 3.37Å; H962-S965 PolarHBondContact O-N 3.32Å; H962-S965 VanDerWaalsContact O-N 3.1Å; R963-S965 PolarHBondContact O-N 2.77Å; S965-I967 PolarHBondContact O-N 3.15Å; S965-R968 PolarHBondContact O-N 3.26Å; S965-R968 VanDerWaalsContact O-N 3.14Å; S965-R969 WeakPolarHBondContact O-CB 3.47Å; S965-R969 WeakPolarHBondContact O-CD 3.39Å; S965-R969 WeakPolarHBondContact O-CG 3.36Å; S965-R969 PolarHBondContact O-N 3.09Å; S965-R969 PolarHBondContact OG-NE 3.17Å; S965-R969 PolarHBondContact OG-NH2 3.18Å |
| 966 | L | 73.9 | Confident | 73.2 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.5 | -50.2 | 177.8 | -176.7 | 110.1 | 0 | 0 | 0 | 112 | H962 R963 R968 R969 N970 V973 N983 | H962-L966 PolarHBondContact O-N 2.65Å; R963-L966 PolarHBondContact O-N 2.86Å; L966-R968 VanDerWaalsContact C-N 3.34Å; L966-R968 PolarHBondContact O-N 3.39Å; L966-R969 PolarHBondContact O-N 3.25Å; L966-N970 PolarHBondContact O-N 3.02Å; L966-N970 VanDerWaalsContact O-N 3.13Å; L966-V973 HydrophobicContact CD2-CG1 4.36Å; L966-V973 HydrophobicContact CD2-CG2 4.31Å; L966-N983 HydrophobicContact CD2-CB 4.43Å |
| 967 | I | 72.2 | Confident | 72.3 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 176.6 | -68.7 | 167.7 | 0 | 0 | 0 | 110.6 | R963 S965 R969 V973 Q974 F980 N983 L984 | R963-I967 WeakPolarHBondContact O-CG1 3.27Å; R963-I967 PolarHBondContact O-N 3.48Å; S965-I967 PolarHBondContact O-N 3.15Å; I967-R969 VanDerWaalsContact C-N 3.3Å; I967-R969 PolarHBondContact O-N 3.28Å; I967-V973 HydrophobicContact CB-CG1 4.49Å; I967-V973 HydrophobicContact CG1-CG1 3.91Å; I967-Q974 HydrophobicContact CG2-CG 4.17Å; I967-Q974 WeakPolarHBondContact O-CG 3.46Å; I967-Q974 PolarHBondContact O-NE2 2.81Å; I967-F980 HydrophobicContact CG2-CD2 3.97Å; I967-F980 HydrophobicContact CG2-CE2 3.61Å; I967-N983 HydrophobicContact CD1-CB 4.14Å; I967-N983 HydrophobicContact CG1-CB 4.16Å; I967-L984 HydrophobicContact CD1-CB 4.41Å; I967-L984 HydrophobicContact CD1-CD1 4.27Å |
| 968 | R | 66.8 | Low | 71.9 | Confident | 182 Ų | 182 | 67.7 Ų | 67.7 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.6 | -29.2 | -179.5 | -170.5 | -178.9 | -64.2 | 139.7 | 3.3 | 113.1 | R964 S965 L966 | R964-R968 WeakPolarHBondContact O-CB 3.21Å; R964-R968 PolarHBondContact O-N 2.95Å; S965-R968 PolarHBondContact O-N 3.26Å; S965-R968 VanDerWaalsContact O-N 3.14Å; L966-R968 VanDerWaalsContact C-N 3.34Å; L966-R968 PolarHBondContact O-N 3.39Å |
| 969 | R | 60.3 | Low | 71.5 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -84.1 | -41.3 | -174.8 | -73.1 | 163.9 | -177.3 | 176.8 | -11.2 | 113.8 | R513 E517 S965 L966 I967 P971 | R513-R969 PolarHBondContact NH1-O 3.26Å; E517-R969 IonicContact OE1-CZ 2.79Å; E517-R969 IonicContact OE1-NH1 3.7Å; E517-R969 PolarHBondContact OE1-NH1 3.28Å; E517-R969 IonicContact OE1-NH2 3.38Å; E517-R969 PolarHBondContact OE1-NH2 3.48Å; E517-R969 IonicContact OE2-CZ 2.74Å; E517-R969 IonicContact OE2-NE 3.35Å; E517-R969 PolarHBondContact OE2-NE 3.39Å; E517-R969 IonicContact OE2-NH1 3.88Å; E517-R969 PolarHBondContact OE2-NH1 2.96Å; E517-R969 IonicContact OE2-NH2 2.75Å; E517-R969 PolarHBondContact OE2-NH2 3.42Å; S965-R969 WeakPolarHBondContact O-CB 3.47Å; S965-R969 WeakPolarHBondContact O-CD 3.39Å; S965-R969 WeakPolarHBondContact O-CG 3.36Å; S965-R969 PolarHBondContact O-N 3.09Å; S965-R969 PolarHBondContact OG-NE 3.17Å; S965-R969 PolarHBondContact OG-NH2 3.18Å; L966-R969 PolarHBondContact O-N 3.25Å; I967-R969 VanDerWaalsContact C-N 3.3Å; I967-R969 PolarHBondContact O-N 3.28Å; R969-P971 WeakPolarHBondContact O-CD 3.2Å |
| 970 | N | 68.4 | Low | 71 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | trans | -103.4 | 107.4 | -172.1 | -73.3 | -11.7 | 0 | 0 | 0 | 111.8 | L966 A972 V973 | L966-N970 PolarHBondContact O-N 3.02Å; L966-N970 VanDerWaalsContact O-N 3.13Å; N970-A972 PolarHBondContact O-N 3.4Å; N970-V973 HydrophobicContact CB-CB 4.11Å; N970-V973 HydrophobicContact CB-CG2 3.72Å; N970-V973 WeakPolarHBondContact O-CB 3.23Å; N970-V973 PolarHBondContact O-N 2.82Å | ||
| 971 | P | 63.3 | Low | 70.8 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 31% | 0.312 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -35 | 174.9 | -23.3 | 34.8 | 0 | 0 | 0 | 112.6 | R969 V973 Q974 S975 | R969-P971 WeakPolarHBondContact O-CD 3.2Å; P971-V973 PolarHBondContact O-N 2.91Å; P971-Q974 WeakPolarHBondContact O-CA 3.35Å; P971-Q974 WeakPolarHBondContact O-CB 3.35Å; P971-Q974 PolarHBondContact O-N 3.3Å; P971-S975 PolarHBondContact O-N 3.11Å; P971-S975 PolarHBondContact O-OG 2.93Å |
| 972 | A | 62 | Low | 70.7 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -26.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N970 S975 | N970-A972 PolarHBondContact O-N 3.4Å; A972-S975 PolarHBondContact O-OG 3.24Å |
| 973 | V | 67.9 | Low | 70.8 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.9 | -27 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L966 I967 N970 P971 V979 F980 | L966-V973 HydrophobicContact CD2-CG1 4.36Å; L966-V973 HydrophobicContact CD2-CG2 4.31Å; I967-V973 HydrophobicContact CB-CG1 4.49Å; I967-V973 HydrophobicContact CG1-CG1 3.91Å; N970-V973 HydrophobicContact CB-CB 4.11Å; N970-V973 HydrophobicContact CB-CG2 3.72Å; N970-V973 WeakPolarHBondContact O-CB 3.23Å; N970-V973 PolarHBondContact O-N 2.82Å; P971-V973 PolarHBondContact O-N 2.91Å; V973-V979 HydrophobicContact CG1-CG1 4.32Å; V973-V979 HydrophobicContact CG2-CG1 4.25Å; V973-F980 VanDerWaalsContact O-CA 3.27Å; V973-F980 WeakPolarHBondContact O-CA 3.44Å; V973-F980 VanDerWaalsContact O-CB 3.26Å; V973-F980 WeakPolarHBondContact O-CB 3.49Å; V973-F980 PolarHBondContact O-N 3.18Å |
| 974 | Q | 65.9 | Low | 70.7 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -84.9 | -40.1 | 178.1 | -59.2 | 179.5 | 25 | 0 | 0 | 112.3 | I967 P971 | I967-Q974 HydrophobicContact CG2-CG 4.17Å; I967-Q974 WeakPolarHBondContact O-CG 3.46Å; I967-Q974 PolarHBondContact O-NE2 2.81Å; P971-Q974 WeakPolarHBondContact O-CA 3.35Å; P971-Q974 WeakPolarHBondContact O-CB 3.35Å; P971-Q974 PolarHBondContact O-N 3.3Å |
| 975 | S | 65.6 | Low | 70.9 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 71% | 0.713 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | -178.2 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | P971 A972 R977 | P971-S975 PolarHBondContact O-N 3.11Å; P971-S975 PolarHBondContact O-OG 2.93Å; A972-S975 PolarHBondContact O-OG 3.24Å; S975-R977 PolarHBondContact O-N 3.07Å |
| 976 | N | 69.6 | Low | 71.4 | Confident | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -83.8 | 94.5 | 173.4 | -171.5 | -33.3 | 0 | 0 | 0 | 110.7 | R978 V979 F980 | N976-R978 PolarHBondContact O-N 3.2Å; N976-R978 WeakPolarHBondContact OD1-CB 3.41Å; N976-R978 PolarHBondContact OD1-N 2.85Å; N976-R978 VanDerWaalsContact OD1-N 3.09Å; N976-V979 HydrophobicContact CB-CB 4.11Å; N976-V979 HydrophobicContact CB-CG2 4.04Å; N976-V979 PolarHBondContact O-N 3.21Å; N976-V979 PolarHBondContact OD1-N 2.9Å; N976-F980 PolarHBondContact O-N 2.96Å |
| 977 | R | 70.5 | Confident | 71.6 | Confident | 138 Ų | 138 | 61 Ų | 61 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -45 | -34 | 177.4 | 177.5 | 178.7 | 173.3 | 164.5 | 4.2 | 114.3 | S975 L981 S1065 T1066 | S975-R977 PolarHBondContact O-N 3.07Å; R977-L981 HydrophobicContact CG-CD1 4.12Å; R977-L981 WeakPolarHBondContact O-CG 3.48Å; R977-L981 PolarHBondContact O-N 3.01Å; R977-L981 VanDerWaalsContact O-N 3.08Å; R977-S1065 PolarHBondContact NH2-O 3.31Å; R977-T1066 VanDerWaalsContact NH2-C 3.31Å; R977-T1066 PolarHBondContact NH2-O 3.45Å |
| 978 | R | 71.2 | Confident | 72.3 | Confident | 156 Ų | 156 | 60.2 Ų | 60.2 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -72.4 | -47.3 | 180 | -171.9 | 173.8 | 175.3 | 165.7 | -0.9 | 111.2 | E882 N976 F980 L981 G982 | E882-R978 IonicContact OE2-CZ 3.87Å; E882-R978 VanDerWaalsContact OE2-CZ 3.22Å; E882-R978 IonicContact OE2-NE 3.9Å; E882-R978 PolarHBondContact OE2-NE 3Å; E882-R978 IonicContact OE2-NH2 3.3Å; E882-R978 PolarHBondContact OE2-NH2 3.36Å; N976-R978 PolarHBondContact O-N 3.2Å; N976-R978 WeakPolarHBondContact OD1-CB 3.41Å; N976-R978 PolarHBondContact OD1-N 2.85Å; N976-R978 VanDerWaalsContact OD1-N 3.09Å; R978-F980 VanDerWaalsContact C-N 3.32Å; R978-F980 PolarHBondContact O-N 3.45Å; R978-L981 PolarHBondContact O-N 3.44Å; R978-G982 PolarHBondContact O-N 3.23Å |
| 979 | V | 74.7 | Confident | 73 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.1 | -35.2 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | V973 N976 N983 | V973-V979 HydrophobicContact CG1-CG1 4.32Å; V973-V979 HydrophobicContact CG2-CG1 4.25Å; N976-V979 HydrophobicContact CB-CB 4.11Å; N976-V979 HydrophobicContact CB-CG2 4.04Å; N976-V979 PolarHBondContact O-N 3.21Å; N976-V979 PolarHBondContact OD1-N 2.9Å; V979-N983 PolarHBondContact O-N 3.14Å; V979-N983 PolarHBondContact O-ND2 3.07Å |
| 980 | F | 74.9 | Confident | 73.9 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -59.2 | 171.9 | -177.6 | -104.1 | 0 | 0 | 0 | 111.3 | I967 V973 N976 R978 G982 N983 L984 | I967-F980 HydrophobicContact CG2-CD2 3.97Å; I967-F980 HydrophobicContact CG2-CE2 3.61Å; V973-F980 VanDerWaalsContact O-CA 3.27Å; V973-F980 WeakPolarHBondContact O-CA 3.44Å; V973-F980 VanDerWaalsContact O-CB 3.26Å; V973-F980 WeakPolarHBondContact O-CB 3.49Å; V973-F980 PolarHBondContact O-N 3.18Å; N976-F980 PolarHBondContact O-N 2.96Å; R978-F980 VanDerWaalsContact C-N 3.32Å; R978-F980 PolarHBondContact O-N 3.45Å; F980-G982 VanDerWaalsContact C-N 3.3Å; F980-G982 PolarHBondContact O-N 3.22Å; F980-N983 CarbonylContact O-C 3.17Å; F980-N983 PolarHBondContact O-N 3.37Å; F980-L984 HydrophobicContact CE1-CD1 4.19Å; F980-L984 HydrophobicContact CE1-CD2 3.89Å; F980-L984 HydrophobicContact CE1-CG 4.48Å; F980-L984 HydrophobicContact CE2-CD1 4.5Å; F980-L984 HydrophobicContact CZ-CD1 3.9Å; F980-L984 HydrophobicContact CZ-CD2 4.41Å; F980-L984 WeakPolarHBondContact O-CB 3.37Å; F980-L984 PolarHBondContact O-N 2.92Å |
| 981 | L | 75.5 | Confident | 74.6 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -32.3 | -179.2 | -69 | 173.4 | 0 | 0 | 0 | 112.7 | R977 R978 N983 L984 Y987 T1066 | R977-L981 HydrophobicContact CG-CD1 4.12Å; R977-L981 WeakPolarHBondContact O-CG 3.48Å; R977-L981 PolarHBondContact O-N 3.01Å; R977-L981 VanDerWaalsContact O-N 3.08Å; R978-L981 PolarHBondContact O-N 3.44Å; L981-N983 PolarHBondContact O-N 3.35Å; L981-L984 HydrophobicContact CD2-CD2 4.15Å; L981-Y987 HydrophobicContact CB-CD1 4.1Å; L981-Y987 HydrophobicContact CB-CE1 3.88Å; L981-Y987 HydrophobicContact CD2-CD1 4.49Å; L981-Y987 HydrophobicContact CD2-CD2 4.24Å; L981-Y987 HydrophobicContact CD2-CE1 4.44Å; L981-Y987 HydrophobicContact CD2-CE2 4.19Å; L981-Y987 HydrophobicContact CD2-CG 4.38Å; L981-Y987 VanDerWaalsContact O-CD1 3.25Å; L981-Y987 WeakPolarHBondContact O-CD1 3.45Å; L981-T1066 HydrophobicContact CD2-CG2 4.05Å |
| 982 | G | 76.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -18.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S924 V925 R978 F980 | S924-G982 WeakPolarHBondContact CA-O 3.37Å; S924-G982 WeakPolarHBondContact CB-O 3.4Å; V925-G982 PolarHBondContact N-O 2.72Å; R978-G982 PolarHBondContact O-N 3.23Å; F980-G982 VanDerWaalsContact C-N 3.3Å; F980-G982 PolarHBondContact O-N 3.22Å |
| 983 | N | 80 | Confident | 76.8 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -113.4 | -21.1 | 179.8 | -79 | -71.6 | 0 | 0 | 0 | 115.2 | V925 R963 L966 I967 V979 F980 L981 P985 | V925-N983 WeakPolarHBondContact CG1-O 3.36Å; R963-N983 VanDerWaalsContact CD-O 3.22Å; R963-N983 WeakPolarHBondContact CD-O 3.43Å; R963-N983 PolarHBondContact NH1-OD1 3.07Å; L966-N983 HydrophobicContact CD2-CB 4.43Å; I967-N983 HydrophobicContact CD1-CB 4.14Å; I967-N983 HydrophobicContact CG1-CB 4.16Å; V979-N983 PolarHBondContact O-N 3.14Å; V979-N983 PolarHBondContact O-ND2 3.07Å; F980-N983 CarbonylContact O-C 3.17Å; F980-N983 PolarHBondContact O-N 3.37Å; L981-N983 PolarHBondContact O-N 3.35Å; N983-P985 WeakPolarHBondContact O-CD 3.5Å; N983-P985 VanDerWaalsContact O-N 3.15Å |
| 984 | L | 80.7 | Confident | 77.5 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | trans | -62.4 | 107.5 | -176.6 | -174 | 68.9 | 0 | 0 | 0 | 110.9 | I967 F980 L981 E986 Y987 | I967-L984 HydrophobicContact CD1-CB 4.41Å; I967-L984 HydrophobicContact CD1-CD1 4.27Å; F980-L984 HydrophobicContact CE1-CD1 4.19Å; F980-L984 HydrophobicContact CE1-CD2 3.89Å; F980-L984 HydrophobicContact CE1-CG 4.48Å; F980-L984 HydrophobicContact CE2-CD1 4.5Å; F980-L984 HydrophobicContact CZ-CD1 3.9Å; F980-L984 HydrophobicContact CZ-CD2 4.41Å; F980-L984 WeakPolarHBondContact O-CB 3.37Å; F980-L984 PolarHBondContact O-N 2.92Å; L981-L984 HydrophobicContact CD2-CD2 4.15Å; L984-E986 WeakPolarHBondContact CD1-OE2 3.44Å; L984-E986 HydrophobicContact CG-CB 4.46Å; L984-E986 VanDerWaalsContact CG-OE2 3.32Å; L984-E986 WeakPolarHBondContact CG-OE2 3.46Å; L984-E986 PolarHBondContact O-N 2.94Å; L984-Y987 VanDerWaalsContact O-CB 3.24Å; L984-Y987 WeakPolarHBondContact O-CB 2.82Å; L984-Y987 PolarHBondContact O-N 3.32Å | ||
| 985 | P | 81.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -61.9 | -30.7 | -170.5 | -28.1 | 39.8 | 0 | 0 | 0 | 114.1 | L928 V960 R963 R964 N983 Y987 C988 L1025 | L928-P985 HydrophobicContact CD2-CB 4.08Å; V960-P985 HydrophobicContact CB-CB 4.37Å; V960-P985 HydrophobicContact CG1-CB 4.1Å; V960-P985 HydrophobicContact CG1-CG 4.46Å; V960-P985 HydrophobicContact CG2-CB 4.08Å; R963-P985 HydrophobicContact CB-CG 3.67Å; R964-P985 HydrophobicContact CG-CG 4.22Å; N983-P985 WeakPolarHBondContact O-CD 3.5Å; N983-P985 VanDerWaalsContact O-N 3.15Å; P985-Y987 PolarHBondContact O-N 2.95Å; P985-C988 WeakPolarHBondContact O-CB 3.42Å; P985-C988 PolarHBondContact O-N 2.97Å; P985-C988 PolarHBondContact O-SG 3.33Å; P985-L1025 HydrophobicContact CB-CD2 3.74Å |
| 986 | E | 77 | Confident | 79.4 | Confident | 38 Ų | 38 | 32.6 Ų | 32.6 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.4 | -30.3 | 177.1 | -59.8 | 73.7 | -163.3 | 0 | 0 | 111.6 | R964 L984 C988 L989 | R964-E986 IonicContact CZ-OE1 3.43Å; R964-E986 IonicContact NE-OE1 2.73Å; R964-E986 PolarHBondContact NE-OE1 2.97Å; R964-E986 IonicContact NH2-OE1 3.61Å; R964-E986 PolarHBondContact NH2-OE1 3.38Å; L984-E986 WeakPolarHBondContact CD1-OE2 3.44Å; L984-E986 HydrophobicContact CG-CB 4.46Å; L984-E986 VanDerWaalsContact CG-OE2 3.32Å; L984-E986 WeakPolarHBondContact CG-OE2 3.46Å; L984-E986 PolarHBondContact O-N 2.94Å; E986-C988 PolarHBondContact O-N 3.04Å; E986-L989 WeakPolarHBondContact O-CB 3.46Å; E986-L989 PolarHBondContact O-N 3.08Å |
| 987 | Y | 79.7 | Confident | 80.1 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -72.2 | -7 | 176.3 | -157.1 | -125.6 | 0 | 0 | 0 | 112.7 | V925 L981 L984 P985 L989 Y991 G1067 P1069 | V925-Y987 HydrophobicContact CG2-CD1 4.4Å; L981-Y987 HydrophobicContact CB-CD1 4.1Å; L981-Y987 HydrophobicContact CB-CE1 3.88Å; L981-Y987 HydrophobicContact CD2-CD1 4.49Å; L981-Y987 HydrophobicContact CD2-CD2 4.24Å; L981-Y987 HydrophobicContact CD2-CE1 4.44Å; L981-Y987 HydrophobicContact CD2-CE2 4.19Å; L981-Y987 HydrophobicContact CD2-CG 4.38Å; L981-Y987 VanDerWaalsContact O-CD1 3.25Å; L981-Y987 WeakPolarHBondContact O-CD1 3.45Å; L984-Y987 VanDerWaalsContact O-CB 3.24Å; L984-Y987 WeakPolarHBondContact O-CB 2.82Å; L984-Y987 PolarHBondContact O-N 3.32Å; P985-Y987 PolarHBondContact O-N 2.95Å; Y987-L989 PolarHBondContact O-N 2.85Å; Y987-Y991 AromaticContact CD1-CE2 3.89Å; Y987-Y991 HydrophobicContact CD1-CE2 3.89Å; Y987-Y991 HydrophobicContact CE1-CE2 4.21Å; Y987-Y991 VanDerWaalsContact O-CD2 3.31Å; Y987-Y991 WeakPolarHBondContact O-CD2 3.23Å; Y987-G1067 WeakPolarHBondContact CE2-O 3.48Å; Y987-G1067 PolarHBondContact OH-O 3.09Å; Y987-P1069 HydrophobicContact CE1-CG 3.85Å; Y987-P1069 HydrophobicContact CE2-CG 4.45Å; Y987-P1069 VanDerWaalsContact OH-CD 3.26Å; Y987-P1069 WeakPolarHBondContact OH-CD 3.28Å; Y987-P1069 WeakPolarHBondContact OH-CG 3.24Å |
| 988 | C | 85.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -25.4 | 169.5 | 90.8 | 0 | 0 | 0 | 0 | 112.2 | V925 L928 A929 P985 E986 C990 Y991 A992 | V925-C988 HydrophobicContact CB-CB 4.3Å; L928-C988 HydrophobicContact CB-CB 4.19Å; L928-C988 HydrophobicContact CD2-CB 4.08Å; L928-C988 HydrophobicContact CG-CB 4.38Å; A929-C988 HydrophobicContact CB-CB 4.34Å; A929-C988 WeakPolarHBondContact CB-O 3.4Å; P985-C988 WeakPolarHBondContact O-CB 3.42Å; P985-C988 PolarHBondContact O-N 2.97Å; P985-C988 PolarHBondContact O-SG 3.33Å; E986-C988 PolarHBondContact O-N 3.04Å; C988-C990 VanDerWaalsContact C-N 3.32Å; C988-C990 PolarHBondContact O-N 2.95Å; C988-Y991 CarbonylContact O-C 3.51Å; C988-Y991 PolarHBondContact O-N 3.42Å; C988-A992 PolarHBondContact O-N 3.28Å |
| 989 | L | 81.5 | Confident | 81.3 | Confident | 18 Ų | 18 | 21.9 Ų | 21.9 | 9% | 0.094 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 179.6 | -70.5 | 169.2 | 0 | 0 | 0 | 112.1 | E986 Y987 Y991 A992 I993 A1021 I1022 L1025 | E986-L989 WeakPolarHBondContact O-CB 3.46Å; E986-L989 PolarHBondContact O-N 3.08Å; Y987-L989 PolarHBondContact O-N 2.85Å; L989-Y991 VanDerWaalsContact C-N 3.3Å; L989-Y991 PolarHBondContact O-N 3.2Å; L989-A992 PolarHBondContact O-N 3.1Å; L989-I993 VanDerWaalsContact O-CG1 3.31Å; L989-I993 WeakPolarHBondContact O-CG1 3.27Å; L989-I993 PolarHBondContact O-N 3.1Å; L989-A1021 HydrophobicContact CD2-CB 3.92Å; L989-I1022 HydrophobicContact CD2-CG1 3.81Å; L989-L1025 HydrophobicContact CD1-CD1 3.83Å; L989-L1025 HydrophobicContact CD2-CD1 4.07Å; L989-L1025 HydrophobicContact CG-CD1 3.75Å |
| 990 | C | 79.8 | Confident | 81.6 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.1 | -49.2 | 171.8 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | C988 Y994 P1069 F1073 | C988-C990 VanDerWaalsContact C-N 3.32Å; C988-C990 PolarHBondContact O-N 2.95Å; C990-Y994 PolarHBondContact O-N 3.2Å; C990-Y994 VanDerWaalsContact O-N 3.15Å; C990-P1069 HydrophobicContact CB-CG 4.46Å; C990-F1073 HydrophobicContact CB-CE2 4.18Å; C990-F1073 WeakPolarHBondContact O-CZ 3.4Å |
| 991 | Y | 83.9 | Confident | 81.9 | Confident | 22 Ų | 22 | 24.8 Ų | 24.8 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.6 | -29.2 | -178.2 | -55.4 | -67.9 | 0 | 0 | 0 | 112.6 | V925 T926 Y987 C988 L989 Y994 L995 P1069 F1072 | V925-Y991 HydrophobicContact CG2-CE2 4.19Å; T926-Y991 HydrophobicContact CG2-CD1 3.97Å; T926-Y991 HydrophobicContact CG2-CD2 4.08Å; T926-Y991 HydrophobicContact CG2-CE1 3.69Å; T926-Y991 HydrophobicContact CG2-CE2 3.81Å; T926-Y991 HydrophobicContact CG2-CG 4.15Å; Y987-Y991 AromaticContact CD1-CE2 3.89Å; Y987-Y991 HydrophobicContact CD1-CE2 3.89Å; Y987-Y991 HydrophobicContact CE1-CE2 4.21Å; Y987-Y991 VanDerWaalsContact O-CD2 3.31Å; Y987-Y991 WeakPolarHBondContact O-CD2 3.23Å; C988-Y991 CarbonylContact O-C 3.51Å; C988-Y991 PolarHBondContact O-N 3.42Å; L989-Y991 VanDerWaalsContact C-N 3.3Å; L989-Y991 PolarHBondContact O-N 3.2Å; Y991-Y994 PolarHBondContact O-N 2.85Å; Y991-L995 WeakPolarHBondContact O-CB 3.49Å; Y991-L995 WeakPolarHBondContact O-CG 3.42Å; Y991-L995 PolarHBondContact O-N 3.24Å; Y991-P1069 HydrophobicContact CE1-CB 3.84Å; Y991-P1069 HydrophobicContact CE1-CG 3.58Å; Y991-P1069 HydrophobicContact CE2-CG 4.33Å; Y991-P1069 VanDerWaalsContact CZ-CG 3.46Å; Y991-P1069 VanDerWaalsContact OH-CG 3.25Å; Y991-P1069 WeakPolarHBondContact OH-CG 3.42Å; Y991-F1072 HydrophobicContact CD1-CD2 4.23Å; Y991-F1072 HydrophobicContact CD1-CE2 4.29Å; Y991-F1072 HydrophobicContact CD1-CG 4.44Å; Y991-F1072 AromaticContact CE1-CD2 3.68Å; Y991-F1072 HydrophobicContact CE1-CD2 3.68Å; Y991-F1072 AromaticContact CE1-CE2 3.74Å; Y991-F1072 HydrophobicContact CE1-CE2 3.74Å; Y991-F1072 HydrophobicContact CE1-CG 4.29Å; Y991-F1072 HydrophobicContact CE1-CZ 4.4Å |
| 992 | A | 86.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.6 | -47.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A929 C988 L989 Y994 L995 L996 A1021 | A929-A992 HydrophobicContact CB-CB 4.04Å; C988-A992 PolarHBondContact O-N 3.28Å; L989-A992 PolarHBondContact O-N 3.1Å; A992-Y994 VanDerWaalsContact C-N 3.29Å; A992-Y994 PolarHBondContact O-N 3.32Å; A992-L995 PolarHBondContact O-N 3.43Å; A992-L996 WeakPolarHBondContact O-CB 3.35Å; A992-L996 WeakPolarHBondContact O-CG 3.21Å; A992-L996 PolarHBondContact O-N 2.96Å; A992-A1021 HydrophobicContact CB-CB 4.32Å |
| 993 | I | 83.8 | Confident | 82.1 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 174.9 | -62.5 | 165.7 | 0 | 0 | 0 | 110.2 | L989 L996 S997 L1018 V1040 L1043 V1044 | L989-I993 VanDerWaalsContact O-CG1 3.31Å; L989-I993 WeakPolarHBondContact O-CG1 3.27Å; L989-I993 PolarHBondContact O-N 3.1Å; I993-L996 PolarHBondContact O-N 3.02Å; I993-S997 WeakPolarHBondContact O-CB 3.36Å; I993-S997 PolarHBondContact O-N 2.7Å; I993-S997 PolarHBondContact O-OG 3.24Å; I993-L1018 HydrophobicContact CG1-CD2 3.8Å; I993-V1040 HydrophobicContact CG2-CB 4.4Å; I993-V1040 HydrophobicContact CG2-CG1 3.73Å; I993-V1040 HydrophobicContact CG2-CG2 4.49Å; I993-L1043 HydrophobicContact CG2-CB 3.91Å; I993-V1044 HydrophobicContact CD1-CG2 4.21Å; I993-V1044 HydrophobicContact CG2-CG2 4.36Å |
| 994 | Y | 83.3 | Confident | 81.8 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 174.1 | 174.8 | -89.1 | 0 | 0 | 0 | 113.2 | Y892 R893 C990 Y991 A992 L996 S997 Y998 F1072 | Y892-Y994 HydrophobicContact CD1-CE1 4.22Å; Y892-Y994 HydrophobicContact CE1-CD1 4.12Å; Y892-Y994 HydrophobicContact CE1-CE1 4.2Å; R893-Y994 HydrophobicContact CG-CE1 3.86Å; R893-Y994 PolarHBondContact NE-OH 3.25Å; C990-Y994 PolarHBondContact O-N 3.2Å; C990-Y994 VanDerWaalsContact O-N 3.15Å; Y991-Y994 PolarHBondContact O-N 2.85Å; A992-Y994 VanDerWaalsContact C-N 3.29Å; A992-Y994 PolarHBondContact O-N 3.32Å; Y994-L996 VanDerWaalsContact C-N 3.3Å; Y994-L996 PolarHBondContact O-N 2.95Å; Y994-S997 PolarHBondContact O-N 2.89Å; Y994-S997 PolarHBondContact O-OG 3.35Å; Y994-Y998 HydrophobicContact CD2-CD2 4.03Å; Y994-Y998 AromaticContact CD2-CE2 3.87Å; Y994-Y998 HydrophobicContact CD2-CE2 3.87Å; Y994-Y998 HydrophobicContact CE1-CD2 4.36Å; Y994-Y998 AromaticContact CE2-CD2 3.67Å; Y994-Y998 HydrophobicContact CE2-CD2 3.67Å; Y994-Y998 AromaticContact CE2-CE2 3.36Å; Y994-Y998 HydrophobicContact CE2-CE2 3.36Å; Y994-Y998 AromaticContact CZ-CD2 3.82Å; Y994-Y998 AromaticContact CZ-CE2 3.87Å; Y994-Y998 WeakPolarHBondContact O-CD2 3.35Å; Y994-Y998 PolarHBondContact O-N 2.85Å; Y994-F1072 AromaticContact CD1-CD1 3.9Å; Y994-F1072 HydrophobicContact CD1-CD1 3.9Å; Y994-F1072 HydrophobicContact CD1-CE1 4.37Å; Y994-F1072 HydrophobicContact CD2-CB 4.12Å; Y994-F1072 HydrophobicContact CD2-CD1 4.1Å; Y994-F1072 AromaticContact CE1-CD1 3.73Å; Y994-F1072 HydrophobicContact CE1-CD1 3.73Å; Y994-F1072 HydrophobicContact CE1-CE1 4.05Å; Y994-F1072 HydrophobicContact CE2-CB 4.36Å; Y994-F1072 AromaticContact CE2-CD1 3.94Å; Y994-F1072 HydrophobicContact CE2-CD1 3.94Å; Y994-F1072 HydrophobicContact CG-CD1 4.11Å; Y994-F1072 AromaticContact CZ-CD1 3.79Å |
| 995 | L | 84.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.8 | -78.8 | 177.8 | 0 | 0 | 0 | 112.1 | Y892 R893 A896 Y897 A929 A930 L933 Y991 A992 Y999 | Y892-L995 HydrophobicContact CD1-CD2 4.19Å; Y892-L995 HydrophobicContact CE1-CD2 3.51Å; Y892-L995 HydrophobicContact CE1-CG 3.95Å; Y892-L995 WeakPolarHBondContact OH-CD1 3.44Å; R893-L995 HydrophobicContact CG-CD2 4.03Å; A896-L995 HydrophobicContact CB-CD1 3.88Å; A896-L995 HydrophobicContact CB-CD2 3.59Å; A896-L995 HydrophobicContact CB-CG 4.41Å; Y897-L995 PolarHBondContact OH-O 3.5Å; A929-L995 HydrophobicContact CB-CD1 4.19Å; A930-L995 HydrophobicContact CB-CD1 4.42Å; L933-L995 HydrophobicContact CD1-CD1 4.29Å; Y991-L995 WeakPolarHBondContact O-CB 3.49Å; Y991-L995 WeakPolarHBondContact O-CG 3.42Å; Y991-L995 PolarHBondContact O-N 3.24Å; A992-L995 PolarHBondContact O-N 3.43Å; L995-Y999 PolarHBondContact O-N 3.4Å |
| 996 | L | 86.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -75.6 | -35.8 | -178.3 | -65.6 | 171.6 | 0 | 0 | 0 | 112.2 | L933 L936 A992 I993 Y994 Y998 Y999 L1014 C1017 L1018 L1043 | L933-L996 HydrophobicContact CD2-CD2 3.95Å; L936-L996 HydrophobicContact CD1-CD2 4.03Å; A992-L996 WeakPolarHBondContact O-CB 3.35Å; A992-L996 WeakPolarHBondContact O-CG 3.21Å; A992-L996 PolarHBondContact O-N 2.96Å; I993-L996 PolarHBondContact O-N 3.02Å; Y994-L996 VanDerWaalsContact C-N 3.3Å; Y994-L996 PolarHBondContact O-N 2.95Å; L996-Y998 PolarHBondContact O-N 3.19Å; L996-Y999 WeakPolarHBondContact O-CB 3.22Å; L996-Y999 PolarHBondContact O-N 3.38Å; L996-L1014 HydrophobicContact CB-CD2 4.19Å; L996-L1014 HydrophobicContact CD2-CD2 3.74Å; L996-L1014 HydrophobicContact CG-CD2 4.44Å; L996-C1017 HydrophobicContact CD1-CB 3.79Å; L996-C1017 HydrophobicContact CD2-CB 3.78Å; L996-C1017 HydrophobicContact CG-CB 4.48Å; L996-L1018 HydrophobicContact CD1-CD2 3.75Å; L996-L1018 HydrophobicContact CD1-CG 3.89Å; L996-L1043 HydrophobicContact CB-CD1 3.94Å |
| 997 | S | 82.8 | Confident | 81 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -20.4 | 176.9 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | I993 Y994 V1040 | I993-S997 WeakPolarHBondContact O-CB 3.36Å; I993-S997 PolarHBondContact O-N 2.7Å; I993-S997 PolarHBondContact O-OG 3.24Å; Y994-S997 PolarHBondContact O-N 2.89Å; Y994-S997 PolarHBondContact O-OG 3.35Å; S997-V1040 VanDerWaalsContact CB-CG2 3.48Å; S997-V1040 WeakPolarHBondContact OG-CG2 3.42Å |
| 998 | Y | 82.2 | Confident | 80.9 | Confident | 120 Ų | 120 | 40 Ų | 40 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 10 | 176.7 | -77.2 | -76.1 | 0 | 0 | 0 | 113.7 | R893 Y897 Y994 L996 | R893-Y998 VanDerWaalsContact CD-CB 3.42Å; Y897-Y998 VanDerWaalsContact OH-C 3.28Å; Y897-Y998 PolarHBondContact OH-O 2.89Å; Y897-Y998 VanDerWaalsContact OH-O 3.11Å; Y994-Y998 HydrophobicContact CD2-CD2 4.03Å; Y994-Y998 AromaticContact CD2-CE2 3.87Å; Y994-Y998 HydrophobicContact CD2-CE2 3.87Å; Y994-Y998 HydrophobicContact CE1-CD2 4.36Å; Y994-Y998 AromaticContact CE2-CD2 3.67Å; Y994-Y998 HydrophobicContact CE2-CD2 3.67Å; Y994-Y998 AromaticContact CE2-CE2 3.36Å; Y994-Y998 HydrophobicContact CE2-CE2 3.36Å; Y994-Y998 AromaticContact CZ-CD2 3.82Å; Y994-Y998 AromaticContact CZ-CE2 3.87Å; Y994-Y998 WeakPolarHBondContact O-CD2 3.35Å; Y994-Y998 PolarHBondContact O-N 2.85Å; L996-Y998 PolarHBondContact O-N 3.19Å |
| 999 | Y | 84.7 | Confident | 80.5 | Confident | 23 Ų | 23 | 42 Ų | 42 | 9% | 0.09 | 23% | 0.228 | C | C | . | . | trans | -64 | 135.1 | 178.5 | -176.5 | -105.2 | 0 | 0 | 0 | 111.2 | Y897 I900 L936 L995 L996 E1001 F1002 M1010 | Y897-Y999 HydrophobicContact CE1-CD2 4.17Å; I900-Y999 HydrophobicContact CD1-CE2 3.82Å; L936-Y999 HydrophobicContact CB-CE2 4.47Å; L936-Y999 HydrophobicContact CD1-CD1 4.16Å; L936-Y999 HydrophobicContact CD1-CD2 3.69Å; L936-Y999 HydrophobicContact CD1-CE1 4.03Å; L936-Y999 HydrophobicContact CD1-CE2 3.59Å; L936-Y999 HydrophobicContact CD1-CG 3.98Å; L995-Y999 PolarHBondContact O-N 3.4Å; L996-Y999 WeakPolarHBondContact O-CB 3.22Å; L996-Y999 PolarHBondContact O-N 3.38Å; Y999-E1001 HydrophobicContact CD1-CB 3.92Å; Y999-E1001 HydrophobicContact CD1-CG 4.33Å; Y999-E1001 HydrophobicContact CE1-CB 3.65Å; Y999-E1001 HydrophobicContact CE1-CG 3.61Å; Y999-E1001 PolarHBondContact O-N 3.23Å; Y999-F1002 PolarHBondContact O-N 3.47Å; Y999-M1010 HydrophobicContact CD1-CE 3.46Å; Y999-M1010 VanDerWaalsContact CD1-CE 3.46Å; Y999-M1010 HydrophobicContact CE1-CE 3.61Å | ||
| 1000 | P | 81 | Confident | 80.6 | Confident | 94 Ų | 94 | 41.4 Ų | 41.4 | 61% | 0.61 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -36.4 | -169.7 | -30 | 37 | 0 | 0 | 0 | 116.3 | F1002 | P1000-F1002 VanDerWaalsContact C-N 3.28Å; P1000-F1002 PolarHBondContact O-N 2.92Å |
| 1001 | E | 82.6 | Confident | 80.6 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -15.5 | 177.5 | -58.1 | -177.1 | 173.8 | 0 | 0 | 113.3 | Y999 V1003 M1010 K1013 | Y999-E1001 HydrophobicContact CD1-CB 3.92Å; Y999-E1001 HydrophobicContact CD1-CG 4.33Å; Y999-E1001 HydrophobicContact CE1-CB 3.65Å; Y999-E1001 HydrophobicContact CE1-CG 3.61Å; Y999-E1001 PolarHBondContact O-N 3.23Å; E1001-V1003 VanDerWaalsContact C-N 3.28Å; E1001-V1003 PolarHBondContact O-N 3.11Å; E1001-M1010 HydrophobicContact CB-CE 4.21Å; E1001-M1010 HydrophobicContact CB-SD 3.9Å; E1001-K1013 IonicContact OE1-NZ 2.89Å; E1001-K1013 IonicContact OE2-NZ 2.74Å; E1001-K1013 PolarHBondContact OE2-NZ 3.3Å |
| 1002 | F | 81.5 | Confident | 80.4 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | trans | -88.1 | 63.4 | -173.9 | -170.5 | -137.3 | 0 | 0 | 0 | 111.9 | Y999 P1000 D1004 M1010 L1011 L1014 K1039 L1043 | Y999-F1002 PolarHBondContact O-N 3.47Å; P1000-F1002 VanDerWaalsContact C-N 3.28Å; P1000-F1002 PolarHBondContact O-N 2.92Å; F1002-D1004 WeakPolarHBondContact CD2-O 3.49Å; F1002-D1004 VanDerWaalsContact CE2-O 3.24Å; F1002-D1004 WeakPolarHBondContact CE2-O 3.23Å; F1002-M1010 HydrophobicContact CB-CG 4.26Å; F1002-M1010 HydrophobicContact CD2-CB 4.43Å; F1002-M1010 HydrophobicContact CD2-CG 3.88Å; F1002-M1010 HydrophobicContact CG-CG 4.45Å; F1002-L1011 HydrophobicContact CE2-CD2 3.97Å; F1002-L1011 HydrophobicContact CE2-CG 4.42Å; F1002-L1011 HydrophobicContact CZ-CD2 3.96Å; F1002-L1014 HydrophobicContact CB-CD1 4.17Å; F1002-L1014 HydrophobicContact CD1-CD1 3.8Å; F1002-L1014 HydrophobicContact CD2-CD1 3.67Å; F1002-L1014 HydrophobicContact CE1-CD1 4.04Å; F1002-L1014 HydrophobicContact CE2-CD1 3.93Å; F1002-L1014 HydrophobicContact CG-CD1 3.61Å; F1002-L1014 HydrophobicContact CZ-CD1 4.11Å; F1002-K1039 HydrophobicContact CD1-CD 4.38Å; F1002-K1039 HydrophobicContact CE1-CB 4.01Å; F1002-K1039 HydrophobicContact CE1-CD 4.31Å; F1002-K1039 HydrophobicContact CE1-CG 4.32Å; F1002-K1039 PolarHBondContact O-NZ 3.33Å; F1002-L1043 HydrophobicContact CD1-CD1 4.47Å; F1002-L1043 HydrophobicContact CE1-CD1 3.88Å; F1002-L1043 HydrophobicContact CE1-CG 4.15Å; F1002-L1043 HydrophobicContact CZ-CG 4.49Å | ||
| 1003 | V | 74.7 | Confident | 80.3 | Confident | 115 Ų | 115 | 48.8 Ų | 48.8 | 70% | 0.697 | 25% | 0.254 | S | S | * | . | trans | -74.2 | -37.7 | -176.2 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | E1001 K1039 | E1001-V1003 VanDerWaalsContact C-N 3.28Å; E1001-V1003 PolarHBondContact O-N 3.11Å; V1003-K1039 VanDerWaalsContact C-NZ 3.3Å; V1003-K1039 WeakPolarHBondContact O-CE 3.16Å; V1003-K1039 PolarHBondContact O-NZ 2.89Å | ||
| 1004 | D | 73 | Confident | 80.3 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | trans | -126.4 | 146 | 178.4 | 177.5 | 34.5 | 0 | 0 | 0 | 111.9 | F1002 N1006 | F1002-D1004 WeakPolarHBondContact CD2-O 3.49Å; F1002-D1004 VanDerWaalsContact CE2-O 3.24Å; F1002-D1004 WeakPolarHBondContact CE2-O 3.23Å; D1004-N1006 PolarHBondContact OD1-N 3.11Å; D1004-N1006 PolarHBondContact OD1-ND2 3.04Å; D1004-N1006 VanDerWaalsContact OD2-CB 3.26Å; D1004-N1006 WeakPolarHBondContact OD2-CB 3.37Å; D1004-N1006 PolarHBondContact OD2-N 3.41Å; D1004-N1006 PolarHBondContact OD2-ND2 3.06Å | ||
| 1005 | H | 72.1 | Confident | 80.2 | Confident | 51 Ų | 51 | 49.8 Ų | 49.8 | 24% | 0.236 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -18.4 | 178.2 | 74.3 | 89.2 | 0 | 0 | 0 | 113.4 | N1007 L1011 K1039 A1042 | H1005-N1007 VanDerWaalsContact C-N 3.3Å; H1005-L1011 WeakPolarHBondContact O-CD1 3.42Å; H1005-K1039 HydrophobicContact CB-CG 4.46Å; H1005-A1042 HydrophobicContact CB-CB 4.27Å |
| 1006 | N | 70.7 | Confident | 80 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -4 | 179.3 | -50.8 | -77.3 | 0 | 0 | 0 | 113.5 | D1004 D1008 | D1004-N1006 PolarHBondContact OD1-N 3.11Å; D1004-N1006 PolarHBondContact OD1-ND2 3.04Å; D1004-N1006 VanDerWaalsContact OD2-CB 3.26Å; D1004-N1006 WeakPolarHBondContact OD2-CB 3.37Å; D1004-N1006 PolarHBondContact OD2-N 3.41Å; D1004-N1006 PolarHBondContact OD2-ND2 3.06Å; N1006-D1008 PolarHBondContact O-N 2.7Å |
| 1007 | N | 79 | Confident | 80 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | trans | -71.7 | 89.4 | -179.2 | -172.4 | -30 | 0 | 0 | 0 | 111.6 | H1005 G1009 M1010 L1011 | H1005-N1007 VanDerWaalsContact C-N 3.3Å; N1007-G1009 VanDerWaalsContact C-N 3.32Å; N1007-G1009 PolarHBondContact O-N 3.18Å; N1007-G1009 PolarHBondContact OD1-N 3.09Å; N1007-M1010 HydrophobicContact CB-CB 4.05Å; N1007-M1010 PolarHBondContact O-N 3.44Å; N1007-M1010 VanDerWaalsContact O-N 3.15Å; N1007-M1010 PolarHBondContact OD1-N 3.21Å; N1007-L1011 PolarHBondContact O-N 3.36Å | ||
| 1008 | D | 77.4 | Confident | 80 | Confident | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -50.6 | -46 | 178.3 | 178.5 | 94.3 | 0 | 0 | 0 | 113.1 | N1006 M1010 L1011 R1012 S1090 F1091 | N1006-D1008 PolarHBondContact O-N 2.7Å; D1008-M1010 PolarHBondContact O-N 3.38Å; D1008-L1011 PolarHBondContact O-N 2.7Å; D1008-R1012 WeakPolarHBondContact O-CG 3.43Å; D1008-R1012 PolarHBondContact O-N 2.7Å; D1008-R1012 IonicContact OD1-CZ 3.33Å; D1008-R1012 IonicContact OD1-NE 2.8Å; D1008-R1012 PolarHBondContact OD1-NE 3.31Å; D1008-R1012 IonicContact OD1-NH2 2.71Å; D1008-R1012 PolarHBondContact OD1-NH2 3.12Å; D1008-R1012 IonicContact OD2-CZ 3.92Å; D1008-R1012 IonicContact OD2-NE 3.99Å; D1008-R1012 PolarHBondContact OD2-NE 3.39Å; D1008-R1012 IonicContact OD2-NH2 2.71Å; D1008-R1012 PolarHBondContact OD2-NH2 3.49Å; D1008-S1090 VanDerWaalsContact OD1-CB 3.29Å; D1008-S1090 WeakPolarHBondContact OD1-CB 3.31Å; D1008-S1090 PolarHBondContact OD1-OG 3.19Å; D1008-F1091 WeakPolarHBondContact OD1-CE2 3.42Å |
| 1009 | G | 79 | Confident | 79.8 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1007 R1012 K1013 | N1007-G1009 VanDerWaalsContact C-N 3.32Å; N1007-G1009 PolarHBondContact O-N 3.18Å; N1007-G1009 PolarHBondContact OD1-N 3.09Å; G1009-R1012 PolarHBondContact O-N 3Å; G1009-K1013 PolarHBondContact O-N 3.22Å |
| 1010 | M | 83.5 | Confident | 79.7 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 174.6 | -167.1 | 63.8 | -153.2 | 0 | 0 | 111.6 | L936 Y999 E1001 F1002 N1007 D1008 R1012 K1013 L1014 | L936-M1010 HydrophobicContact CD2-CE 4.2Å; Y999-M1010 HydrophobicContact CD1-CE 3.46Å; Y999-M1010 VanDerWaalsContact CD1-CE 3.46Å; Y999-M1010 HydrophobicContact CE1-CE 3.61Å; E1001-M1010 HydrophobicContact CB-CE 4.21Å; E1001-M1010 HydrophobicContact CB-SD 3.9Å; F1002-M1010 HydrophobicContact CB-CG 4.26Å; F1002-M1010 HydrophobicContact CD2-CB 4.43Å; F1002-M1010 HydrophobicContact CD2-CG 3.88Å; F1002-M1010 HydrophobicContact CG-CG 4.45Å; N1007-M1010 HydrophobicContact CB-CB 4.05Å; N1007-M1010 PolarHBondContact O-N 3.44Å; N1007-M1010 VanDerWaalsContact O-N 3.15Å; N1007-M1010 PolarHBondContact OD1-N 3.21Å; D1008-M1010 PolarHBondContact O-N 3.38Å; M1010-R1012 VanDerWaalsContact C-N 3.26Å; M1010-R1012 PolarHBondContact O-N 3.44Å; M1010-K1013 HydrophobicContact CE-CB 4.38Å; M1010-K1013 HydrophobicContact CE-CD 4.2Å; M1010-K1013 WeakPolarHBondContact O-CA 3.18Å; M1010-K1013 WeakPolarHBondContact O-CB 3.36Å; M1010-K1013 PolarHBondContact O-N 2.74Å; M1010-K1013 HydrophobicContact SD-CB 4.48Å; M1010-K1013 HydrophobicContact SD-CD 3.79Å; M1010-L1014 HydrophobicContact CE-CD1 4.21Å; M1010-L1014 HydrophobicContact CE-CD2 3.66Å; M1010-L1014 HydrophobicContact CE-CG 3.82Å; M1010-L1014 HydrophobicContact CG-CD1 4.08Å; M1010-L1014 HydrophobicContact CG-CG 4.36Å; M1010-L1014 WeakPolarHBondContact O-CG 3.45Å; M1010-L1014 PolarHBondContact O-N 3.05Å |
| 1011 | L | 78.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -37 | 174.3 | -75 | 176 | 0 | 0 | 0 | 111.9 | F1002 H1005 N1007 D1008 L1014 K1015 L1043 L1046 L1087 P1088 F1091 | F1002-L1011 HydrophobicContact CE2-CD2 3.97Å; F1002-L1011 HydrophobicContact CE2-CG 4.42Å; F1002-L1011 HydrophobicContact CZ-CD2 3.96Å; H1005-L1011 WeakPolarHBondContact O-CD1 3.42Å; N1007-L1011 PolarHBondContact O-N 3.36Å; D1008-L1011 PolarHBondContact O-N 2.7Å; L1011-L1014 PolarHBondContact O-N 3.03Å; L1011-K1015 WeakPolarHBondContact O-CB 3.37Å; L1011-K1015 PolarHBondContact O-N 3.19Å; L1011-L1043 HydrophobicContact CD2-CD2 4.36Å; L1011-L1046 HydrophobicContact CD2-CD2 4.19Å; L1011-L1046 WeakPolarHBondContact O-CD2 3.31Å; L1011-L1087 HydrophobicContact CD1-CD2 4.39Å; L1011-P1088 HydrophobicContact CD1-CG 3.77Å; L1011-F1091 HydrophobicContact CB-CE2 4.14Å; L1011-F1091 HydrophobicContact CB-CZ 4.08Å; L1011-F1091 HydrophobicContact CD1-CE2 4.2Å |
| 1012 | R | 81.3 | Confident | 79.4 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 36% | 0.362 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 173.1 | -69.9 | -179.9 | -161.3 | -75.9 | -18.7 | 112.8 | D1008 G1009 M1010 N1016 F1091 | D1008-R1012 WeakPolarHBondContact O-CG 3.43Å; D1008-R1012 PolarHBondContact O-N 2.7Å; D1008-R1012 IonicContact OD1-CZ 3.33Å; D1008-R1012 IonicContact OD1-NE 2.8Å; D1008-R1012 PolarHBondContact OD1-NE 3.31Å; D1008-R1012 IonicContact OD1-NH2 2.71Å; D1008-R1012 PolarHBondContact OD1-NH2 3.12Å; D1008-R1012 IonicContact OD2-CZ 3.92Å; D1008-R1012 IonicContact OD2-NE 3.99Å; D1008-R1012 PolarHBondContact OD2-NE 3.39Å; D1008-R1012 IonicContact OD2-NH2 2.71Å; D1008-R1012 PolarHBondContact OD2-NH2 3.49Å; G1009-R1012 PolarHBondContact O-N 3Å; M1010-R1012 VanDerWaalsContact C-N 3.26Å; M1010-R1012 PolarHBondContact O-N 3.44Å; R1012-N1016 PolarHBondContact O-ND2 2.84Å; R1012-F1091 HydrophobicContact CG-CZ 3.89Å |
| 1013 | K | 84.2 | Confident | 79.1 | Confident | 87 Ų | 87 | 46.9 Ų | 46.9 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -50.6 | 169.1 | -60.6 | -173.3 | -163.1 | 173.5 | 0 | 110.8 | L936 E1001 G1009 M1010 K1015 N1016 C1017 | L936-K1013 HydrophobicContact CD2-CB 4Å; E1001-K1013 IonicContact OE1-NZ 2.89Å; E1001-K1013 IonicContact OE2-NZ 2.74Å; E1001-K1013 PolarHBondContact OE2-NZ 3.3Å; G1009-K1013 PolarHBondContact O-N 3.22Å; M1010-K1013 HydrophobicContact CE-CB 4.38Å; M1010-K1013 HydrophobicContact CE-CD 4.2Å; M1010-K1013 WeakPolarHBondContact O-CA 3.18Å; M1010-K1013 WeakPolarHBondContact O-CB 3.36Å; M1010-K1013 PolarHBondContact O-N 2.74Å; M1010-K1013 HydrophobicContact SD-CB 4.48Å; M1010-K1013 HydrophobicContact SD-CD 3.79Å; K1013-K1015 VanDerWaalsContact C-N 3.31Å; K1013-K1015 PolarHBondContact O-N 3.22Å; K1013-N1016 WeakPolarHBondContact O-CB 3.35Å; K1013-N1016 PolarHBondContact O-N 3.37Å; K1013-N1016 VanDerWaalsContact O-N 3.08Å; K1013-C1017 PolarHBondContact O-N 3.34Å |
| 1014 | L | 84.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -29.3 | -176.4 | -61.1 | 173.6 | 0 | 0 | 0 | 112.8 | L936 L996 F1002 M1010 L1011 N1016 C1017 L1018 L1043 | L936-L1014 HydrophobicContact CD1-CD2 4.32Å; L936-L1014 HydrophobicContact CD2-CD2 4.37Å; L996-L1014 HydrophobicContact CB-CD2 4.19Å; L996-L1014 HydrophobicContact CD2-CD2 3.74Å; L996-L1014 HydrophobicContact CG-CD2 4.44Å; F1002-L1014 HydrophobicContact CB-CD1 4.17Å; F1002-L1014 HydrophobicContact CD1-CD1 3.8Å; F1002-L1014 HydrophobicContact CD2-CD1 3.67Å; F1002-L1014 HydrophobicContact CE1-CD1 4.04Å; F1002-L1014 HydrophobicContact CE2-CD1 3.93Å; F1002-L1014 HydrophobicContact CG-CD1 3.61Å; F1002-L1014 HydrophobicContact CZ-CD1 4.11Å; M1010-L1014 HydrophobicContact CE-CD1 4.21Å; M1010-L1014 HydrophobicContact CE-CD2 3.66Å; M1010-L1014 HydrophobicContact CE-CG 3.82Å; M1010-L1014 HydrophobicContact CG-CD1 4.08Å; M1010-L1014 HydrophobicContact CG-CG 4.36Å; M1010-L1014 WeakPolarHBondContact O-CG 3.45Å; M1010-L1014 PolarHBondContact O-N 3.05Å; L1011-L1014 PolarHBondContact O-N 3.03Å; L1014-N1016 VanDerWaalsContact C-N 3.28Å; L1014-N1016 PolarHBondContact O-N 3.28Å; L1014-C1017 WeakPolarHBondContact O-CB 3.24Å; L1014-C1017 PolarHBondContact O-N 2.98Å; L1014-L1018 PolarHBondContact O-N 3.27Å; L1014-L1043 HydrophobicContact CB-CD2 3.81Å; L1014-L1043 HydrophobicContact CD1-CD2 3.93Å; L1014-L1043 HydrophobicContact CG-CD2 4.46Å |
| 1015 | K | 80 | Confident | 78.7 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 170.3 | -171.6 | 178.2 | 176 | -175.6 | 0 | 111.6 | L1011 K1013 W1019 L1046 L1050 F1091 E1094 | L1011-K1015 WeakPolarHBondContact O-CB 3.37Å; L1011-K1015 PolarHBondContact O-N 3.19Å; K1013-K1015 VanDerWaalsContact C-N 3.31Å; K1013-K1015 PolarHBondContact O-N 3.22Å; K1015-W1019 WeakPolarHBondContact O-CB 2.84Å; K1015-W1019 PolarHBondContact O-N 2.93Å; K1015-L1046 HydrophobicContact CB-CD1 4.1Å; K1015-L1046 HydrophobicContact CB-CD2 3.91Å; K1015-L1046 HydrophobicContact CB-CG 4.08Å; K1015-L1046 HydrophobicContact CD-CD1 4.15Å; K1015-L1046 HydrophobicContact CG-CD1 4.08Å; K1015-L1046 HydrophobicContact CG-CG 4.23Å; K1015-L1050 HydrophobicContact CG-CD1 4.14Å; K1015-L1050 HydrophobicContact CG-CD2 3.98Å; K1015-L1050 HydrophobicContact CG-CG 4.23Å; K1015-L1050 WeakPolarHBondContact O-CD1 3.36Å; K1015-F1091 HydrophobicContact CD-CE1 4.24Å; K1015-E1094 IonicContact NZ-OE1 3.87Å; K1015-E1094 PolarHBondContact NZ-OE1 3.13Å; K1015-E1094 IonicContact NZ-OE2 2.86Å; K1015-E1094 PolarHBondContact NZ-OE2 3.07Å |
| 1016 | N | 81.4 | Confident | 78 | Confident | 97 Ų | 97 | 38.1 Ų | 38.1 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.4 | -34.6 | 177.2 | -63.7 | -26 | 0 | 0 | 0 | 111.7 | R1012 K1013 L1014 W1019 F1020 | R1012-N1016 PolarHBondContact O-ND2 2.84Å; K1013-N1016 WeakPolarHBondContact O-CB 3.35Å; K1013-N1016 PolarHBondContact O-N 3.37Å; K1013-N1016 VanDerWaalsContact O-N 3.08Å; L1014-N1016 VanDerWaalsContact C-N 3.28Å; L1014-N1016 PolarHBondContact O-N 3.28Å; N1016-W1019 PolarHBondContact O-N 2.91Å; N1016-F1020 WeakPolarHBondContact O-CB 3.33Å; N1016-F1020 PolarHBondContact O-N 3.41Å |
| 1017 | C | 86.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -45.8 | 173.6 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | S932 L936 L996 K1013 L1014 F1020 A1021 | S932-C1017 WeakPolarHBondContact O-CA 3.49Å; S932-C1017 WeakPolarHBondContact O-CB 3.4Å; S932-C1017 PolarHBondContact O-SG 3.28Å; L936-C1017 WeakPolarHBondContact CD2-SG 3.49Å; L936-C1017 WeakPolarHBondContact CG-SG 3.48Å; L996-C1017 HydrophobicContact CD1-CB 3.79Å; L996-C1017 HydrophobicContact CD2-CB 3.78Å; L996-C1017 HydrophobicContact CG-CB 4.48Å; K1013-C1017 PolarHBondContact O-N 3.34Å; L1014-C1017 WeakPolarHBondContact O-CB 3.24Å; L1014-C1017 PolarHBondContact O-N 2.98Å; C1017-F1020 WeakPolarHBondContact O-CB 3.39Å; C1017-F1020 PolarHBondContact O-N 3.49Å; C1017-A1021 PolarHBondContact O-N 3.49Å |
| 1018 | L | 82.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.4 | -70 | 169.6 | 0 | 0 | 0 | 111.2 | I993 L996 L1014 F1020 A1021 I1022 L1043 L1046 L1050 | I993-L1018 HydrophobicContact CG1-CD2 3.8Å; L996-L1018 HydrophobicContact CD1-CD2 3.75Å; L996-L1018 HydrophobicContact CD1-CG 3.89Å; L1014-L1018 PolarHBondContact O-N 3.27Å; L1018-F1020 VanDerWaalsContact C-N 3.32Å; L1018-F1020 PolarHBondContact O-N 2.88Å; L1018-A1021 WeakPolarHBondContact O-CB 3.46Å; L1018-A1021 PolarHBondContact O-N 3.19Å; L1018-A1021 VanDerWaalsContact O-N 3.13Å; L1018-I1022 WeakPolarHBondContact O-CB 3.47Å; L1018-I1022 WeakPolarHBondContact O-CD1 3.45Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.23Å; L1018-I1022 PolarHBondContact O-N 3.23Å; L1018-L1043 HydrophobicContact CD1-CB 4.32Å; L1018-L1043 HydrophobicContact CD1-CD2 3.99Å; L1018-L1043 WeakPolarHBondContact CD1-O 3.41Å; L1018-L1046 HydrophobicContact CD1-CB 4.11Å; L1018-L1046 HydrophobicContact CD1-CD2 4.03Å; L1018-L1046 HydrophobicContact CD1-CG 4.22Å; L1018-L1050 HydrophobicContact CB-CD1 3.71Å |
| 1019 | W | 78.5 | Confident | 73 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 173.6 | -178.6 | -115.7 | 0 | 0 | 0 | 112.4 | K1015 N1016 A1021 I1022 K1023 L1050 K1054 F1055 | K1015-W1019 WeakPolarHBondContact O-CB 2.84Å; K1015-W1019 PolarHBondContact O-N 2.93Å; N1016-W1019 PolarHBondContact O-N 2.91Å; W1019-A1021 VanDerWaalsContact C-N 3.3Å; W1019-A1021 PolarHBondContact O-N 2.93Å; W1019-I1022 HydrophobicContact CE3-CB 4.33Å; W1019-I1022 HydrophobicContact CE3-CG2 4.25Å; W1019-I1022 HydrophobicContact CZ3-CG2 4.03Å; W1019-I1022 PolarHBondContact O-N 3.4Å; W1019-K1023 HydrophobicContact CD2-CB 4.49Å; W1019-K1023 HydrophobicContact CZ2-CB 4.16Å; W1019-K1023 HydrophobicContact CZ2-CG 4.39Å; W1019-K1023 VanDerWaalsContact O-CB 3.23Å; W1019-K1023 WeakPolarHBondContact O-CB 3.21Å; W1019-K1023 PolarHBondContact O-N 3.03Å; W1019-L1050 HydrophobicContact CB-CD1 4.2Å; W1019-L1050 HydrophobicContact CB-CD2 4.16Å; W1019-L1050 HydrophobicContact CE3-CD2 4.19Å; W1019-K1054 HydrophobicContact CE3-CG 4.37Å; W1019-K1054 HydrophobicContact CH2-CB 4.14Å; W1019-K1054 HydrophobicContact CH2-CD 4.03Å; W1019-K1054 HydrophobicContact CH2-CG 3.81Å; W1019-K1054 HydrophobicContact CZ3-CB 4.02Å; W1019-K1054 HydrophobicContact CZ3-CD 4.31Å; W1019-K1054 HydrophobicContact CZ3-CG 3.63Å; W1019-F1055 HydrophobicContact CH2-CE2 4.37Å; W1019-F1055 HydrophobicContact CH2-CZ 4.23Å; W1019-F1055 HydrophobicContact CZ3-CE2 4.07Å; W1019-F1055 HydrophobicContact CZ3-CZ 4.36Å |
| 1020 | F | 83.5 | Confident | 70.6 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -33 | 172.8 | -169.2 | -88.5 | 0 | 0 | 0 | 112.5 | F931 P935 V949 V952 E953 F956 N1016 C1017 L1018 P1024 | F931-F1020 HydrophobicContact CB-CE1 4.36Å; F931-F1020 WeakPolarHBondContact O-CD1 3.3Å; F931-F1020 WeakPolarHBondContact O-CE1 3.47Å; P935-F1020 HydrophobicContact CG-CB 3.92Å; P935-F1020 HydrophobicContact CG-CD2 4.12Å; P935-F1020 HydrophobicContact CG-CG 4Å; V949-F1020 HydrophobicContact CG1-CD2 4.12Å; V949-F1020 HydrophobicContact CG1-CE2 3.55Å; V949-F1020 HydrophobicContact CG1-CZ 4.36Å; V952-F1020 HydrophobicContact CB-CZ 4.15Å; V952-F1020 HydrophobicContact CG1-CE1 3.89Å; V952-F1020 HydrophobicContact CG1-CZ 3.86Å; E953-F1020 HydrophobicContact CB-CE2 3.71Å; E953-F1020 HydrophobicContact CB-CZ 3.77Å; E953-F1020 HydrophobicContact CG-CD2 4.44Å; E953-F1020 HydrophobicContact CG-CE2 3.77Å; E953-F1020 HydrophobicContact CG-CZ 4.02Å; F956-F1020 HydrophobicContact CD1-CD1 4.25Å; F956-F1020 AromaticContact CD1-CE1 3.91Å; F956-F1020 HydrophobicContact CD1-CE1 3.91Å; F956-F1020 HydrophobicContact CE1-CD1 4.34Å; F956-F1020 HydrophobicContact CE1-CE1 4.43Å; F956-F1020 WeakPolarHBondContact CE1-O 3.35Å; N1016-F1020 WeakPolarHBondContact O-CB 3.33Å; N1016-F1020 PolarHBondContact O-N 3.41Å; C1017-F1020 WeakPolarHBondContact O-CB 3.39Å; C1017-F1020 PolarHBondContact O-N 3.49Å; L1018-F1020 VanDerWaalsContact C-N 3.32Å; L1018-F1020 PolarHBondContact O-N 2.88Å; F1020-P1024 WeakPolarHBondContact O-CD 3.29Å |
| 1021 | A | 81.1 | Confident | 68 | Low | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.6 | -40.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L989 A992 C1017 L1018 W1019 L1025 | L989-A1021 HydrophobicContact CD2-CB 3.92Å; A992-A1021 HydrophobicContact CB-CB 4.32Å; C1017-A1021 PolarHBondContact O-N 3.49Å; L1018-A1021 WeakPolarHBondContact O-CB 3.46Å; L1018-A1021 PolarHBondContact O-N 3.19Å; L1018-A1021 VanDerWaalsContact O-N 3.13Å; W1019-A1021 VanDerWaalsContact C-N 3.3Å; W1019-A1021 PolarHBondContact O-N 2.93Å; A1021-L1025 WeakPolarHBondContact O-CD1 3.32Å; A1021-L1025 WeakPolarHBondContact O-CG 3.44Å |
| 1022 | I | 75.8 | Confident | 65.9 | Low | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.1 | -44.7 | -174.8 | -67 | 161.9 | 0 | 0 | 0 | 111.8 | L989 L1018 W1019 L1025 T1026 T1047 L1050 L1051 F1055 | L989-I1022 HydrophobicContact CD2-CG1 3.81Å; L1018-I1022 WeakPolarHBondContact O-CB 3.47Å; L1018-I1022 WeakPolarHBondContact O-CD1 3.45Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.23Å; L1018-I1022 PolarHBondContact O-N 3.23Å; W1019-I1022 HydrophobicContact CE3-CB 4.33Å; W1019-I1022 HydrophobicContact CE3-CG2 4.25Å; W1019-I1022 HydrophobicContact CZ3-CG2 4.03Å; W1019-I1022 PolarHBondContact O-N 3.4Å; I1022-L1025 WeakPolarHBondContact O-CB 3.47Å; I1022-L1025 PolarHBondContact O-N 3.14Å; I1022-T1026 HydrophobicContact CG2-CG2 3.56Å; I1022-T1026 WeakPolarHBondContact O-CG2 3.47Å; I1022-T1026 PolarHBondContact O-N 3.04Å; I1022-T1026 VanDerWaalsContact O-N 3.14Å; I1022-T1026 PolarHBondContact O-OG1 2.93Å; I1022-T1047 HydrophobicContact CD1-CG2 4.18Å; I1022-L1050 HydrophobicContact CD1-CB 3.9Å; I1022-L1050 HydrophobicContact CD1-CD1 4Å; I1022-L1051 HydrophobicContact CG2-CD2 4.17Å; I1022-F1055 HydrophobicContact CG2-CE2 4.22Å |
| 1023 | K | 74.2 | Confident | 63.4 | Low | 87 Ų | 87 | 60.6 Ų | 60.6 | 38% | 0.378 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -49.8 | -171.7 | 174.2 | -168.1 | 178.5 | -162.3 | 0 | 113.5 | E953 W1019 L1025 T1026 | E953-K1023 WeakPolarHBondContact OE1-CD 3.21Å; E953-K1023 WeakPolarHBondContact OE1-CE 3.37Å; E953-K1023 IonicContact OE1-NZ 3.69Å; E953-K1023 PolarHBondContact OE1-NZ 2.85Å; E953-K1023 IonicContact OE2-NZ 2.73Å; E953-K1023 PolarHBondContact OE2-NZ 3.08Å; W1019-K1023 HydrophobicContact CD2-CB 4.49Å; W1019-K1023 HydrophobicContact CZ2-CB 4.16Å; W1019-K1023 HydrophobicContact CZ2-CG 4.39Å; W1019-K1023 VanDerWaalsContact O-CB 3.23Å; W1019-K1023 WeakPolarHBondContact O-CB 3.21Å; W1019-K1023 PolarHBondContact O-N 3.03Å; K1023-L1025 VanDerWaalsContact C-N 3.32Å; K1023-L1025 PolarHBondContact O-N 2.84Å; K1023-T1026 PolarHBondContact O-N 3.49Å; K1023-T1026 PolarHBondContact O-OG1 3.25Å |
| 1024 | P | 71.1 | Confident | 60.8 | Low | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.6 | 180 | -19.3 | 34.2 | 0 | 0 | 0 | 114.1 | E953 F956 L957 V960 F1020 | E953-P1024 HydrophobicContact CG-CG 4.46Å; F956-P1024 HydrophobicContact CD1-CG 3.94Å; F956-P1024 HydrophobicContact CE1-CG 4.08Å; F956-P1024 HydrophobicContact CG-CG 4.28Å; L957-P1024 HydrophobicContact CB-CB 4.44Å; L957-P1024 HydrophobicContact CD1-CB 4.11Å; V960-P1024 HydrophobicContact CG2-CB 4.48Å; F1020-P1024 WeakPolarHBondContact O-CD 3.29Å |
| 1025 | L | 68 | Low | 58.2 | Low | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -38.7 | 177.5 | -60.8 | 171.9 | 0 | 0 | 0 | 110.8 | V960 R964 P985 L989 A1021 I1022 K1023 D1027 | V960-L1025 HydrophobicContact CG1-CD2 4.05Å; V960-L1025 HydrophobicContact CG2-CD2 3.9Å; R964-L1025 VanDerWaalsContact CZ-O 3.24Å; R964-L1025 PolarHBondContact NH1-O 3.38Å; R964-L1025 PolarHBondContact NH2-O 3.39Å; P985-L1025 HydrophobicContact CB-CD2 3.74Å; L989-L1025 HydrophobicContact CD1-CD1 3.83Å; L989-L1025 HydrophobicContact CD2-CD1 4.07Å; L989-L1025 HydrophobicContact CG-CD1 3.75Å; A1021-L1025 WeakPolarHBondContact O-CD1 3.32Å; A1021-L1025 WeakPolarHBondContact O-CG 3.44Å; I1022-L1025 WeakPolarHBondContact O-CB 3.47Å; I1022-L1025 PolarHBondContact O-N 3.14Å; K1023-L1025 VanDerWaalsContact C-N 3.32Å; K1023-L1025 PolarHBondContact O-N 2.84Å; L1025-D1027 VanDerWaalsContact C-N 3.3Å; L1025-D1027 PolarHBondContact O-N 2.83Å; L1025-D1027 VanDerWaalsContact O-N 3.16Å |
| 1026 | T | 58.3 | Low | 55.8 | Low | 41 Ų | 41 | 62.3 Ų | 62.3 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 2.1 | -165 | 47.5 | 0 | 0 | 0 | 0 | 117.4 | I1022 K1023 R1028 F1055 | I1022-T1026 HydrophobicContact CG2-CG2 3.56Å; I1022-T1026 WeakPolarHBondContact O-CG2 3.47Å; I1022-T1026 PolarHBondContact O-N 3.04Å; I1022-T1026 VanDerWaalsContact O-N 3.14Å; I1022-T1026 PolarHBondContact O-OG1 2.93Å; K1023-T1026 PolarHBondContact O-N 3.49Å; K1023-T1026 PolarHBondContact O-OG1 3.25Å; T1026-R1028 PolarHBondContact O-N 3.18Å; T1026-R1028 VanDerWaalsContact O-N 3.12Å; T1026-F1055 HydrophobicContact CG2-CD2 4.3Å; T1026-F1055 HydrophobicContact CG2-CE1 3.99Å; T1026-F1055 HydrophobicContact CG2-CE2 3.59Å; T1026-F1055 HydrophobicContact CG2-CZ 3.43Å; T1026-F1055 VanDerWaalsContact CG2-CZ 3.43Å; T1026-F1055 VanDerWaalsContact OG1-CZ 3.31Å; T1026-F1055 WeakPolarHBondContact OG1-CZ 3.35Å |
| 1027 | D | 51.5 | Low | 53.6 | Low | 135 Ų | 135 | 61.7 Ų | 61.7 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 0.4 | -175.3 | -149.4 | 34 | 0 | 0 | 0 | 114.6 | L1025 | L1025-D1027 VanDerWaalsContact C-N 3.3Å; L1025-D1027 PolarHBondContact O-N 2.83Å; L1025-D1027 VanDerWaalsContact O-N 3.16Å |
| 1028 | R | 37.6 | Very low | 51.4 | Low | 206 Ų | 206 | 68 Ų | 68 | 78% | 0.777 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -142.4 | 155.5 | 152.5 | -73.4 | -161.5 | 176.3 | -160 | -2.7 | 109.8 | T1026 D1030 | T1026-R1028 PolarHBondContact O-N 3.18Å; T1026-R1028 VanDerWaalsContact O-N 3.12Å; R1028-D1030 PolarHBondContact O-N 2.64Å |
| 1029 | K | 33.8 | Very low | 50 | Low | 136 Ų | 136 | 71.4 Ų | 71.4 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | trans | -56 | 133 | 169.4 | -58.4 | -173.5 | -178.4 | -168.1 | 0 | 110 | S1057 S1058 | K1029-S1057 VanDerWaalsContact CE-OG 3.25Å; K1029-S1057 WeakPolarHBondContact CE-OG 3.49Å; K1029-S1058 PolarHBondContact NZ-OG 3.5Å | ||
| 1030 | D | 28.4 | Very low | 49 | Very low | 158 Ų | 158 | 68.4 Ų | 68.4 | 85% | 0.845 | 36% | 0.361 | S | S | * | . | -177.7 | 175.6 | 126.2 | -81 | -19.8 | 0 | 0 | 0 | 109.2 | R1028 | R1028-D1030 PolarHBondContact O-N 2.64Š| |||
| 1031 | G | 28.2 | Very low | 47.9 | Very low | 67 Ų | 67 | 70.2 Ų | 70.2 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | trans | -77 | 176.2 | -152.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1032 | S | 33.7 | Very low | 47 | Very low | 100 Ų | 100 | 70.1 Ų | 70.1 | 70% | 0.699 | 37% | 0.366 | S | S | * | . | trans | -104.2 | 172.1 | -162.6 | 54.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1033 | C | 30 | Very low | 46.6 | Very low | 23 Ų | 23 | 70.1 Ų | 70.1 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | trans | -134.4 | 126.9 | 169.4 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1034 | I | 28.7 | Very low | 46.5 | Very low | 68 Ų | 68 | 66.9 Ų | 66.9 | 35% | 0.349 | 35% | 0.354 | S | S | . | . | 82 | 155 | 102.1 | -50.6 | 162.5 | 0 | 0 | 0 | 114.1 | V1068 | I1034-V1068 HydrophobicContact CB-CG1 4.09Å; I1034-V1068 HydrophobicContact CG2-CB 4.19Å; I1034-V1068 HydrophobicContact CG2-CG1 3.37Å; I1034-V1068 HydrophobicContact CG2-CG2 3.93Å | |||
| 1035 | N | 29.4 | Very low | 46.5 | Very low | 69 Ų | 69 | 67.6 Ų | 67.6 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | trans | -160.6 | 129.2 | -141.6 | 171.7 | 24.4 | 0 | 0 | 0 | 113 | W1041 V1044 | N1035-W1041 VanDerWaalsContact CG-CZ3 3.45Å; N1035-W1041 WeakPolarHBondContact ND2-CH2 3.02Å; N1035-W1041 WeakPolarHBondContact ND2-CZ3 3.37Å; N1035-W1041 WeakPolarHBondContact OD1-CZ3 3.48Å; N1035-V1044 HydrophobicContact CB-CG1 4.01Å | ||
| 1036 | V | 29.6 | Very low | 46.7 | Very low | 24 Ų | 24 | 67.3 Ų | 67.3 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | trans | -156.1 | 166 | 178.7 | -161.5 | 0 | 0 | 0 | 0 | 112.4 | V1040 W1041 F1073 | V1036-V1040 HydrophobicContact CB-CG1 4.32Å; V1036-V1040 CarbonylContact O-C 3.58Å; V1036-V1040 WeakPolarHBondContact O-CB 3.48Å; V1036-V1040 WeakPolarHBondContact O-CG1 3.49Å; V1036-W1041 PolarHBondContact O-N 2.98Å; V1036-F1073 HydrophobicContact CB-CD1 3.99Å; V1036-F1073 HydrophobicContact CG2-CB 4.14Å; V1036-F1073 HydrophobicContact CG2-CD1 3.51Å; V1036-F1073 HydrophobicContact CG2-CE1 4.26Å; V1036-F1073 HydrophobicContact CG2-CG 4.11Å | ||
| 1037 | T | 35.5 | Very low | 47.4 | Very low | 84 Ų | 84 | 65.8 Ų | 65.8 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 23.4 | 143.8 | 163.8 | 44.9 | 0 | 0 | 0 | 0 | 123.8 | K1039 V1040 W1041 | T1037-K1039 PolarHBondContact O-N 2.85Å; T1037-V1040 CarbonylContact O-C 3.57Å; T1037-V1040 WeakPolarHBondContact O-CA 3.27Å; T1037-V1040 VanDerWaalsContact O-CB 3.22Å; T1037-V1040 WeakPolarHBondContact O-CB 3.44Å; T1037-V1040 PolarHBondContact O-N 2.94Å; T1037-W1041 VanDerWaalsContact CA-CD1 3.43Å; T1037-W1041 PolarHBondContact O-N 3.44Å |
| 1038 | F | 40.8 | Very low | 48.4 | Very low | 132 Ų | 132 | 62.4 Ų | 62.4 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -36.8 | -53.8 | -161.6 | -63.3 | -85.3 | 0 | 0 | 0 | 119.4 | W1041 A1042 Y1086 | F1038-W1041 VanDerWaalsContact N-CD1 3.29Å; F1038-W1041 PolarHBondContact O-N 3.12Å; F1038-A1042 PolarHBondContact O-N 3.13Å; F1038-Y1086 AromaticContact CD1-CD1 4Å; F1038-Y1086 HydrophobicContact CD1-CD1 4Å; F1038-Y1086 AromaticContact CD1-CE1 3.43Å; F1038-Y1086 HydrophobicContact CD1-CE1 3.43Å; F1038-Y1086 VanDerWaalsContact CD1-CE1 3.43Å; F1038-Y1086 AromaticContact CE1-CE1 3.65Å; F1038-Y1086 HydrophobicContact CE1-CE1 3.65Å |
| 1039 | K | 52.2 | Low | 50 | Low | 72 Ų | 72 | 52.6 Ų | 52.6 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.6 | -33.4 | 175.3 | -72.4 | -172.4 | 179 | -176.1 | 0 | 113.5 | F1002 V1003 H1005 T1037 L1043 | F1002-K1039 HydrophobicContact CD1-CD 4.38Å; F1002-K1039 HydrophobicContact CE1-CB 4.01Å; F1002-K1039 HydrophobicContact CE1-CD 4.31Å; F1002-K1039 HydrophobicContact CE1-CG 4.32Å; F1002-K1039 PolarHBondContact O-NZ 3.33Å; V1003-K1039 VanDerWaalsContact C-NZ 3.3Å; V1003-K1039 WeakPolarHBondContact O-CE 3.16Å; V1003-K1039 PolarHBondContact O-NZ 2.89Å; H1005-K1039 HydrophobicContact CB-CG 4.46Å; T1037-K1039 PolarHBondContact O-N 2.85Å; K1039-L1043 PolarHBondContact O-N 2.73Å |
| 1040 | V | 56.8 | Low | 51.6 | Low | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -41.4 | 172.6 | 171.9 | 0 | 0 | 0 | 0 | 109.4 | I993 S997 V1036 T1037 A1042 L1043 V1044 F1073 | I993-V1040 HydrophobicContact CG2-CB 4.4Å; I993-V1040 HydrophobicContact CG2-CG1 3.73Å; I993-V1040 HydrophobicContact CG2-CG2 4.49Å; S997-V1040 VanDerWaalsContact CB-CG2 3.48Å; S997-V1040 WeakPolarHBondContact OG-CG2 3.42Å; V1036-V1040 HydrophobicContact CB-CG1 4.32Å; V1036-V1040 CarbonylContact O-C 3.58Å; V1036-V1040 WeakPolarHBondContact O-CB 3.48Å; V1036-V1040 WeakPolarHBondContact O-CG1 3.49Å; T1037-V1040 CarbonylContact O-C 3.57Å; T1037-V1040 WeakPolarHBondContact O-CA 3.27Å; T1037-V1040 VanDerWaalsContact O-CB 3.22Å; T1037-V1040 WeakPolarHBondContact O-CB 3.44Å; T1037-V1040 PolarHBondContact O-N 2.94Å; V1040-A1042 VanDerWaalsContact C-N 3.34Å; V1040-A1042 PolarHBondContact O-N 3.36Å; V1040-L1043 CarbonylContact O-C 3.55Å; V1040-L1043 PolarHBondContact O-N 3.17Å; V1040-V1044 HydrophobicContact CG1-CG2 4.03Å; V1040-V1044 WeakPolarHBondContact O-CB 3.3Å; V1040-V1044 WeakPolarHBondContact O-CG2 3.44Å; V1040-V1044 PolarHBondContact O-N 2.67Å; V1040-F1073 HydrophobicContact CG1-CE1 4.35Å |
| 1041 | W | 61.2 | Low | 53.4 | Low | 49 Ų | 49 | 41.3 Ų | 41.3 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.8 | -46.2 | 173.2 | -73 | 117.4 | 0 | 0 | 0 | 111.5 | N1035 V1036 T1037 F1038 L1043 V1044 D1045 N1082 Y1086 | N1035-W1041 VanDerWaalsContact CG-CZ3 3.45Å; N1035-W1041 WeakPolarHBondContact ND2-CH2 3.02Å; N1035-W1041 WeakPolarHBondContact ND2-CZ3 3.37Å; N1035-W1041 WeakPolarHBondContact OD1-CZ3 3.48Å; V1036-W1041 PolarHBondContact O-N 2.98Å; T1037-W1041 VanDerWaalsContact CA-CD1 3.43Å; T1037-W1041 PolarHBondContact O-N 3.44Å; F1038-W1041 VanDerWaalsContact N-CD1 3.29Å; F1038-W1041 PolarHBondContact O-N 3.12Å; W1041-L1043 VanDerWaalsContact C-N 3.32Å; W1041-L1043 PolarHBondContact O-N 3.43Å; W1041-V1044 PolarHBondContact O-N 3.06Å; W1041-D1045 PolarHBondContact O-N 2.81Å; W1041-N1082 HydrophobicContact CE3-CB 4.42Å; W1041-N1082 HydrophobicContact CH2-CB 3.25Å; W1041-N1082 WeakPolarHBondContact CH2-ND2 3.47Å; W1041-N1082 HydrophobicContact CZ2-CB 3.85Å; W1041-N1082 VanDerWaalsContact CZ2-ND2 3.31Å; W1041-N1082 WeakPolarHBondContact CZ2-ND2 3.47Å; W1041-N1082 HydrophobicContact CZ3-CB 3.52Å; W1041-N1082 VanDerWaalsContact CZ3-ND2 3.31Å; W1041-N1082 WeakPolarHBondContact CZ3-ND2 3.38Å; W1041-Y1086 HydrophobicContact CB-CD2 3.46Å; W1041-Y1086 VanDerWaalsContact CB-CD2 3.46Å; W1041-Y1086 HydrophobicContact CB-CE2 3.93Å; W1041-Y1086 HydrophobicContact CB-CG 3.8Å; W1041-Y1086 HydrophobicContact CD2-CE2 4.18Å; W1041-Y1086 HydrophobicContact CE3-CE2 4.31Å; W1041-Y1086 HydrophobicContact CG-CD2 4.01Å; W1041-Y1086 AromaticContact CG-CE2 3.95Å; W1041-Y1086 HydrophobicContact CG-CE2 3.95Å |
| 1042 | A | 61.6 | Low | 55.2 | Low | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H1005 F1038 V1040 L1046 L1087 | H1005-A1042 HydrophobicContact CB-CB 4.27Å; F1038-A1042 PolarHBondContact O-N 3.13Å; V1040-A1042 VanDerWaalsContact C-N 3.34Å; V1040-A1042 PolarHBondContact O-N 3.36Å; A1042-L1046 VanDerWaalsContact O-CB 3.31Å; A1042-L1046 WeakPolarHBondContact O-CB 3.42Å; A1042-L1046 PolarHBondContact O-N 3.37Å; A1042-L1087 WeakPolarHBondContact O-CD2 3.3Å |
| 1043 | L | 68 | Low | 56.8 | Low | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77.2 | -26.3 | 176.1 | -68.4 | 172.8 | 0 | 0 | 0 | 113.3 | I993 L996 F1002 L1011 L1014 L1018 K1039 V1040 W1041 L1046 T1047 | I993-L1043 HydrophobicContact CG2-CB 3.91Å; L996-L1043 HydrophobicContact CB-CD1 3.94Å; F1002-L1043 HydrophobicContact CD1-CD1 4.47Å; F1002-L1043 HydrophobicContact CE1-CD1 3.88Å; F1002-L1043 HydrophobicContact CE1-CG 4.15Å; F1002-L1043 HydrophobicContact CZ-CG 4.49Å; L1011-L1043 HydrophobicContact CD2-CD2 4.36Å; L1014-L1043 HydrophobicContact CB-CD2 3.81Å; L1014-L1043 HydrophobicContact CD1-CD2 3.93Å; L1014-L1043 HydrophobicContact CG-CD2 4.46Å; L1018-L1043 HydrophobicContact CD1-CB 4.32Å; L1018-L1043 HydrophobicContact CD1-CD2 3.99Å; L1018-L1043 WeakPolarHBondContact CD1-O 3.41Å; K1039-L1043 PolarHBondContact O-N 2.73Å; V1040-L1043 CarbonylContact O-C 3.55Å; V1040-L1043 PolarHBondContact O-N 3.17Å; W1041-L1043 VanDerWaalsContact C-N 3.32Å; W1041-L1043 PolarHBondContact O-N 3.43Å; L1043-L1046 HydrophobicContact CD2-CD2 4.03Å; L1043-T1047 WeakPolarHBondContact O-CB 3.42Å; L1043-T1047 PolarHBondContact O-N 3.07Å; L1043-T1047 PolarHBondContact O-OG1 3.16Å |
| 1044 | V | 71.6 | Confident | 58.5 | Low | 20 Ų | 20 | 41 Ų | 41 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.1 | -43.2 | 171.8 | 169.1 | 0 | 0 | 0 | 0 | 110 | I993 N1035 V1040 W1041 L1046 T1047 N1048 | I993-V1044 HydrophobicContact CD1-CG2 4.21Å; I993-V1044 HydrophobicContact CG2-CG2 4.36Å; N1035-V1044 HydrophobicContact CB-CG1 4.01Å; V1040-V1044 HydrophobicContact CG1-CG2 4.03Å; V1040-V1044 WeakPolarHBondContact O-CB 3.3Å; V1040-V1044 WeakPolarHBondContact O-CG2 3.44Å; V1040-V1044 PolarHBondContact O-N 2.67Å; W1041-V1044 PolarHBondContact O-N 3.06Å; V1044-L1046 VanDerWaalsContact C-N 3.33Å; V1044-L1046 PolarHBondContact O-N 3.3Å; V1044-T1047 CarbonylContact O-C 3.59Å; V1044-T1047 WeakPolarHBondContact O-CB 3.36Å; V1044-T1047 PolarHBondContact O-N 2.89Å; V1044-N1048 VanDerWaalsContact O-CB 3.29Å; V1044-N1048 WeakPolarHBondContact O-CB 3.45Å; V1044-N1048 PolarHBondContact O-N 3.45Å |
| 1045 | D | 72.8 | Confident | 59.7 | Low | 20 Ų | 20 | 41.2 Ų | 41.2 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 170.8 | -82.5 | -14.5 | 0 | 0 | 0 | 111.4 | W1041 T1047 N1048 L1049 S1085 Y1086 L1087 | W1041-D1045 PolarHBondContact O-N 2.81Å; D1045-T1047 VanDerWaalsContact C-N 3.33Å; D1045-T1047 PolarHBondContact O-N 2.7Å; D1045-N1048 PolarHBondContact O-N 2.68Å; D1045-L1049 VanDerWaalsContact O-CB 3.31Å; D1045-L1049 WeakPolarHBondContact O-CB 3.45Å; D1045-L1049 PolarHBondContact O-N 3.03Å; D1045-S1085 WeakPolarHBondContact OD2-CA 3.38Å; D1045-S1085 WeakPolarHBondContact OD2-CB 3.14Å; D1045-S1085 PolarHBondContact OD2-OG 3.22Å; D1045-Y1086 PolarHBondContact OD2-N 2.95Å; D1045-L1087 HydrophobicContact CB-CD1 3.85Å; D1045-L1087 HydrophobicContact CB-CD2 4.38Å; D1045-L1087 HydrophobicContact CB-CG 3.72Å |
| 1046 | L | 71.4 | Confident | 60.5 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 175 | -160.4 | 63.1 | 0 | 0 | 0 | 112.1 | L1011 K1015 L1018 A1042 L1043 V1044 L1049 L1050 L1087 F1091 | L1011-L1046 HydrophobicContact CD2-CD2 4.19Å; L1011-L1046 WeakPolarHBondContact O-CD2 3.31Å; K1015-L1046 HydrophobicContact CB-CD1 4.1Å; K1015-L1046 HydrophobicContact CB-CD2 3.91Å; K1015-L1046 HydrophobicContact CB-CG 4.08Å; K1015-L1046 HydrophobicContact CD-CD1 4.15Å; K1015-L1046 HydrophobicContact CG-CD1 4.08Å; K1015-L1046 HydrophobicContact CG-CG 4.23Å; L1018-L1046 HydrophobicContact CD1-CB 4.11Å; L1018-L1046 HydrophobicContact CD1-CD2 4.03Å; L1018-L1046 HydrophobicContact CD1-CG 4.22Å; A1042-L1046 VanDerWaalsContact O-CB 3.31Å; A1042-L1046 WeakPolarHBondContact O-CB 3.42Å; A1042-L1046 PolarHBondContact O-N 3.37Å; L1043-L1046 HydrophobicContact CD2-CD2 4.03Å; V1044-L1046 VanDerWaalsContact C-N 3.33Å; V1044-L1046 PolarHBondContact O-N 3.3Å; L1046-L1049 HydrophobicContact CD1-CD2 4.25Å; L1046-L1050 VanDerWaalsContact O-CG 3.3Å; L1046-L1050 WeakPolarHBondContact O-CG 3.21Å; L1046-L1050 PolarHBondContact O-N 3.18Å; L1046-L1087 HydrophobicContact CB-CD2 4.11Å; L1046-L1087 HydrophobicContact CD1-CD2 3.92Å; L1046-F1091 HydrophobicContact CD1-CD1 4.23Å; L1046-F1091 HydrophobicContact CD1-CE1 3.9Å; L1046-F1091 HydrophobicContact CD1-CZ 4.4Å |
| 1047 | T | 72.5 | Confident | 61.1 | Low | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 171.9 | -62.3 | 0 | 0 | 0 | 0 | 111 | I1022 L1043 V1044 D1045 L1050 L1051 | I1022-T1047 HydrophobicContact CD1-CG2 4.18Å; L1043-T1047 WeakPolarHBondContact O-CB 3.42Å; L1043-T1047 PolarHBondContact O-N 3.07Å; L1043-T1047 PolarHBondContact O-OG1 3.16Å; V1044-T1047 CarbonylContact O-C 3.59Å; V1044-T1047 WeakPolarHBondContact O-CB 3.36Å; V1044-T1047 PolarHBondContact O-N 2.89Å; D1045-T1047 VanDerWaalsContact C-N 3.33Å; D1045-T1047 PolarHBondContact O-N 2.7Å; T1047-L1050 WeakPolarHBondContact O-CB 3.3Å; T1047-L1050 PolarHBondContact O-N 3.27Å; T1047-L1051 HydrophobicContact CG2-CD1 4.05Å; T1047-L1051 WeakPolarHBondContact O-CG 3.43Å; T1047-L1051 PolarHBondContact O-N 2.97Å |
| 1048 | N | 72.2 | Confident | 61 | Low | 63 Ų | 63 | 43.5 Ų | 43.5 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 178.2 | -166.3 | 4.8 | 0 | 0 | 0 | 111.4 | V1044 D1045 L1051 C1052 M1095 | V1044-N1048 VanDerWaalsContact O-CB 3.29Å; V1044-N1048 WeakPolarHBondContact O-CB 3.45Å; V1044-N1048 PolarHBondContact O-N 3.45Å; D1045-N1048 PolarHBondContact O-N 2.68Å; N1048-L1051 PolarHBondContact O-N 3.24Å; N1048-C1052 VanDerWaalsContact O-CB 3.31Å; N1048-C1052 WeakPolarHBondContact O-CB 3.34Å; N1048-C1052 PolarHBondContact O-N 3.31Å; N1048-C1052 PolarHBondContact O-SG 3.16Å; N1048-C1052 PolarHBondContact OD1-SG 2.91Å; N1048-C1052 VanDerWaalsContact OD1-SG 3.4Å; N1048-M1095 HydrophobicContact CB-CE 4.41Å |
| 1049 | L | 72 | Confident | 60.6 | Low | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 170.5 | 173 | 63.2 | 0 | 0 | 0 | 111.9 | D1045 L1046 S1053 L1087 F1091 E1094 M1095 A1098 | D1045-L1049 VanDerWaalsContact O-CB 3.31Å; D1045-L1049 WeakPolarHBondContact O-CB 3.45Å; D1045-L1049 PolarHBondContact O-N 3.03Å; L1046-L1049 HydrophobicContact CD1-CD2 4.25Å; L1049-S1053 WeakPolarHBondContact O-CB 3.42Å; L1049-S1053 PolarHBondContact O-N 3.13Å; L1049-S1053 PolarHBondContact O-OG 3.26Å; L1049-L1087 HydrophobicContact CD2-CD1 4.35Å; L1049-F1091 HydrophobicContact CD2-CD1 3.87Å; L1049-E1094 HydrophobicContact CD1-CB 3.99Å; L1049-E1094 HydrophobicContact CD2-CB 4.31Å; L1049-M1095 HydrophobicContact CB-SD 3.77Å; L1049-M1095 HydrophobicContact CD1-CB 4.11Å; L1049-M1095 HydrophobicContact CD1-SD 3.63Å; L1049-M1095 HydrophobicContact CG-SD 4.29Å; L1049-A1098 HydrophobicContact CD1-CB 4.05Å |
| 1050 | L | 66.7 | Low | 59.5 | Low | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.5 | -75.4 | 168.1 | 0 | 0 | 0 | 111.9 | K1015 L1018 W1019 I1022 L1046 T1047 S1053 K1054 | K1015-L1050 HydrophobicContact CG-CD1 4.14Å; K1015-L1050 HydrophobicContact CG-CD2 3.98Å; K1015-L1050 HydrophobicContact CG-CG 4.23Å; K1015-L1050 WeakPolarHBondContact O-CD1 3.36Å; L1018-L1050 HydrophobicContact CB-CD1 3.71Å; W1019-L1050 HydrophobicContact CB-CD1 4.2Å; W1019-L1050 HydrophobicContact CB-CD2 4.16Å; W1019-L1050 HydrophobicContact CE3-CD2 4.19Å; I1022-L1050 HydrophobicContact CD1-CB 3.9Å; I1022-L1050 HydrophobicContact CD1-CD1 4Å; L1046-L1050 VanDerWaalsContact O-CG 3.3Å; L1046-L1050 WeakPolarHBondContact O-CG 3.21Å; L1046-L1050 PolarHBondContact O-N 3.18Å; T1047-L1050 WeakPolarHBondContact O-CB 3.3Å; T1047-L1050 PolarHBondContact O-N 3.27Å; L1050-S1053 PolarHBondContact O-OG 3.46Å; L1050-K1054 VanDerWaalsContact O-CB 3.3Å; L1050-K1054 WeakPolarHBondContact O-CB 3.22Å; L1050-K1054 VanDerWaalsContact O-CG 3.26Å; L1050-K1054 WeakPolarHBondContact O-CG 3.39Å; L1050-K1054 PolarHBondContact O-N 2.89Å |
| 1051 | L | 67.4 | Low | 58.3 | Low | 50 Ų | 50 | 56.1 Ų | 56.1 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.8 | -53.2 | 177 | -69.1 | 169.1 | 0 | 0 | 0 | 111.4 | I1022 T1047 N1048 S1053 K1054 F1055 | I1022-L1051 HydrophobicContact CG2-CD2 4.17Å; T1047-L1051 HydrophobicContact CG2-CD1 4.05Å; T1047-L1051 WeakPolarHBondContact O-CG 3.43Å; T1047-L1051 PolarHBondContact O-N 2.97Å; N1048-L1051 PolarHBondContact O-N 3.24Å; L1051-S1053 VanDerWaalsContact C-N 3.28Å; L1051-S1053 PolarHBondContact O-N 3.08Å; L1051-K1054 PolarHBondContact O-N 3.35Å; L1051-F1055 HydrophobicContact CD2-CD2 4.18Å; L1051-F1055 PolarHBondContact O-N 3.03Å |
| 1052 | C | 65.3 | Low | 57.4 | Low | 21 Ų | 21 | 61.7 Ų | 61.7 | 14% | 0.142 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -29.6 | 179.1 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | N1048 A1098 | N1048-C1052 VanDerWaalsContact O-CB 3.31Å; N1048-C1052 WeakPolarHBondContact O-CB 3.34Å; N1048-C1052 PolarHBondContact O-N 3.31Å; N1048-C1052 PolarHBondContact O-SG 3.16Å; N1048-C1052 PolarHBondContact OD1-SG 2.91Å; N1048-C1052 VanDerWaalsContact OD1-SG 3.4Å; C1052-A1098 HydrophobicContact CB-CB 4.09Å |
| 1053 | S | 67.2 | Low | 56.2 | Low | 43 Ų | 43 | 66.7 Ų | 66.7 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -86.3 | -8.8 | -179 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | L1049 L1050 L1051 | L1049-S1053 WeakPolarHBondContact O-CB 3.42Å; L1049-S1053 PolarHBondContact O-N 3.13Å; L1049-S1053 PolarHBondContact O-OG 3.26Å; L1050-S1053 PolarHBondContact O-OG 3.46Å; L1051-S1053 VanDerWaalsContact C-N 3.28Å; L1051-S1053 PolarHBondContact O-N 3.08Å |
| 1054 | K | 64.8 | Low | 54.7 | Low | 119 Ų | 119 | 73 Ų | 73 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -126.2 | -23.9 | -173.7 | -62.8 | -69.1 | -174.5 | 176.6 | 0 | 114.3 | W1019 L1050 L1051 | W1019-K1054 HydrophobicContact CE3-CG 4.37Å; W1019-K1054 HydrophobicContact CH2-CB 4.14Å; W1019-K1054 HydrophobicContact CH2-CD 4.03Å; W1019-K1054 HydrophobicContact CH2-CG 3.81Å; W1019-K1054 HydrophobicContact CZ3-CB 4.02Å; W1019-K1054 HydrophobicContact CZ3-CD 4.31Å; W1019-K1054 HydrophobicContact CZ3-CG 3.63Å; L1050-K1054 VanDerWaalsContact O-CB 3.3Å; L1050-K1054 WeakPolarHBondContact O-CB 3.22Å; L1050-K1054 VanDerWaalsContact O-CG 3.26Å; L1050-K1054 WeakPolarHBondContact O-CG 3.39Å; L1050-K1054 PolarHBondContact O-N 2.89Å; L1051-K1054 PolarHBondContact O-N 3.35Å |
| 1055 | F | 53.9 | Low | 53.4 | Low | 73 Ų | 73 | 77 Ų | 77 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | trans | -124.7 | 144.1 | -176.3 | -56.9 | -74.5 | 0 | 0 | 0 | 111.8 | W1019 I1022 T1026 L1051 | W1019-F1055 HydrophobicContact CH2-CE2 4.37Å; W1019-F1055 HydrophobicContact CH2-CZ 4.23Å; W1019-F1055 HydrophobicContact CZ3-CE2 4.07Å; W1019-F1055 HydrophobicContact CZ3-CZ 4.36Å; I1022-F1055 HydrophobicContact CG2-CE2 4.22Å; T1026-F1055 HydrophobicContact CG2-CD2 4.3Å; T1026-F1055 HydrophobicContact CG2-CE1 3.99Å; T1026-F1055 HydrophobicContact CG2-CE2 3.59Å; T1026-F1055 HydrophobicContact CG2-CZ 3.43Å; T1026-F1055 VanDerWaalsContact CG2-CZ 3.43Å; T1026-F1055 VanDerWaalsContact OG1-CZ 3.31Å; T1026-F1055 WeakPolarHBondContact OG1-CZ 3.35Å; L1051-F1055 HydrophobicContact CD2-CD2 4.18Å; L1051-F1055 PolarHBondContact O-N 3.03Å | ||
| 1056 | I | 46.7 | Very low | 52.4 | Low | 91 Ų | 91 | 77.9 Ų | 77.9 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | trans | -132.7 | -16.7 | -159.3 | -88.8 | 175.5 | 0 | 0 | 0 | 112.9 | S1105 | I1056-S1105 WeakPolarHBondContact CG1-OG 3.47Å; I1056-S1105 WeakPolarHBondContact CG2-OG 3.25Å | ||
| 1057 | S | 41.6 | Very low | 51.5 | Low | 61 Ų | 61 | 79.1 Ų | 79.1 | 43% | 0.427 | 44% | 0.441 | S | S | . | . | trans | -97.4 | 113.2 | -162.1 | 64 | 0 | 0 | 0 | 0 | 114.8 | K1029 | K1029-S1057 VanDerWaalsContact CE-OG 3.25Å; K1029-S1057 WeakPolarHBondContact CE-OG 3.49Å | ||
| 1058 | S | 34.9 | Very low | 51 | Low | 72 Ų | 72 | 80.1 Ų | 80.1 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | trans | 58.4 | 108.5 | 148.3 | 59.8 | 0 | 0 | 0 | 0 | 118.1 | K1029 N1060 | K1029-S1058 PolarHBondContact NZ-OG 3.5Å; S1058-N1060 PolarHBondContact O-N 2.67Å | ||
| 1059 | E | 30.9 | Very low | 50.5 | Low | 188 Ų | 188 | 77.8 Ų | 77.8 | 88% | 0.879 | 44% | 0.435 | S | S | * | . | trans | -53 | 127.3 | 150.7 | -60.1 | 164.1 | 142.8 | 0 | 0 | 109.5 | ||||
| 1060 | N | 30.5 | Very low | 50.1 | Low | 141 Ų | 141 | 86 Ų | 86 | 75% | 0.754 | 47% | 0.471 | S | S | * | . | trans | -173.1 | 130.2 | 160 | -105.9 | -64.2 | 0 | 0 | 0 | 110.5 | S1058 | S1058-N1060 PolarHBondContact O-N 2.67Š| ||
| 1061 | N | 31.7 | Very low | 50 | Low | 149 Ų | 149 | 92 Ų | 92 | 80% | 0.797 | 49% | 0.493 | S | S | * | . | trans | 33.2 | 96.7 | 163.2 | -63.2 | -16.9 | 0 | 0 | 0 | 118.6 | P1063 | N1061-P1063 WeakPolarHBondContact O-CD 3.49Š| ||
| 1062 | I | 42.3 | Very low | 49.6 | Very low | 167 Ų | 167 | 91.5 Ų | 91.5 | 86% | 0.856 | 49% | 0.489 | S | S | * | . | trans | -71.7 | 119.6 | 170.2 | -56.5 | 167.5 | 0 | 0 | 0 | 110.1 | I1064 | I1062-I1064 PolarHBondContact O-N 3.12Š| ||
| 1063 | P | 35 | Very low | 49.5 | Very low | 105 Ų | 105 | 91.2 Ų | 91.2 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | trans | -86.2 | 113 | 175.4 | 32.6 | -30.6 | 0 | 0 | 0 | 111.5 | N1061 | N1061-P1063 WeakPolarHBondContact O-CD 3.49Š| ||
| 1064 | I | 37.3 | Very low | 48.8 | Very low | 133 Ų | 133 | 97 Ų | 97 | 68% | 0.682 | 51% | 0.508 | S | S | * | . | trans | 70.1 | 129.9 | 166.9 | -51.1 | 170.7 | 0 | 0 | 0 | 115.1 | I1062 T1066 | I1062-I1064 PolarHBondContact O-N 3.12Å; I1064-T1066 PolarHBondContact O-N 2.9Å | ||
| 1065 | S | 44.6 | Very low | 47.9 | Very low | 104 Ų | 104 | 98.2 Ų | 98.2 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | trans | -66.7 | 94.8 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | R977 | R977-S1065 PolarHBondContact NH2-O 3.31Š| ||
| 1066 | T | 51.1 | Low | 47.2 | Very low | 37 Ų | 37 | 98 Ų | 98 | 23% | 0.227 | 53% | 0.531 | C | S | . | . | trans | -66.2 | -37.6 | -177 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | R977 L981 I1064 | R977-T1066 VanDerWaalsContact NH2-C 3.31Å; R977-T1066 PolarHBondContact NH2-O 3.45Å; L981-T1066 HydrophobicContact CD2-CG2 4.05Å; I1064-T1066 PolarHBondContact O-N 2.9Å | ||
| 1067 | G | 53 | Low | 46.8 | Very low | 27 Ų | 27 | 102.5 Ų | 102.5 | 28% | 0.278 | 55% | 0.547 | S | S | . | . | trans | 74.8 | 163.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y987 | Y987-G1067 WeakPolarHBondContact CE2-O 3.48Å; Y987-G1067 PolarHBondContact OH-O 3.09Å | ||
| 1068 | V | 61.7 | Low | 46.6 | Very low | 31 Ų | 31 | 104.6 Ų | 104.6 | 19% | 0.188 | 56% | 0.559 | C | S | . | * | trans | -91.6 | 154.7 | 176.4 | -111.5 | 0 | 0 | 0 | 0 | 112.2 | I1034 K1070 F1073 | I1034-V1068 HydrophobicContact CB-CG1 4.09Å; I1034-V1068 HydrophobicContact CG2-CB 4.19Å; I1034-V1068 HydrophobicContact CG2-CG1 3.37Å; I1034-V1068 HydrophobicContact CG2-CG2 3.93Å; V1068-K1070 PolarHBondContact O-N 3.25Å; V1068-F1073 HydrophobicContact CB-CB 3.99Å; V1068-F1073 HydrophobicContact CB-CD2 4.12Å; V1068-F1073 HydrophobicContact CB-CG 4.24Å; V1068-F1073 HydrophobicContact CG1-CB 4.23Å; V1068-F1073 HydrophobicContact CG1-CD2 3.77Å; V1068-F1073 HydrophobicContact CG1-CE2 4.27Å; V1068-F1073 HydrophobicContact CG1-CG 3.98Å; V1068-F1073 HydrophobicContact CG2-CB 4.32Å | ||
| 1069 | P | 62.2 | Low | 46.8 | Very low | 13 Ų | 13 | 108.9 Ų | 108.9 | 8% | 0.084 | 58% | 0.582 | C | S | . | * | trans | -60.7 | 102.8 | 172.4 | -22.1 | 32.3 | 0 | 0 | 0 | 112.3 | Y987 C990 Y991 R1071 F1072 F1073 | Y987-P1069 HydrophobicContact CE1-CG 3.85Å; Y987-P1069 HydrophobicContact CE2-CG 4.45Å; Y987-P1069 VanDerWaalsContact OH-CD 3.26Å; Y987-P1069 WeakPolarHBondContact OH-CD 3.28Å; Y987-P1069 WeakPolarHBondContact OH-CG 3.24Å; C990-P1069 HydrophobicContact CB-CG 4.46Å; Y991-P1069 HydrophobicContact CE1-CB 3.84Å; Y991-P1069 HydrophobicContact CE1-CG 3.58Å; Y991-P1069 HydrophobicContact CE2-CG 4.33Å; Y991-P1069 VanDerWaalsContact CZ-CG 3.46Å; Y991-P1069 VanDerWaalsContact OH-CG 3.25Å; Y991-P1069 WeakPolarHBondContact OH-CG 3.42Å; P1069-R1071 PolarHBondContact O-N 3.07Å; P1069-F1072 HydrophobicContact CB-CB 4.46Å; P1069-F1072 HydrophobicContact CB-CD2 3.92Å; P1069-F1072 PolarHBondContact O-N 3.15Å; P1069-F1073 HydrophobicContact CB-CD2 4.38Å; P1069-F1073 HydrophobicContact CG-CD2 4.37Å; P1069-F1073 HydrophobicContact CG-CE2 4.45Å; P1069-F1073 PolarHBondContact O-N 2.9Å | ||
| 1070 | K | 63.4 | Low | 47.5 | Very low | 175 Ų | 175 | 103.4 Ų | 103.4 | 76% | 0.761 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -22.7 | -179.9 | -66.9 | -171.4 | 177.2 | -173.1 | 0 | 114.8 | V1068 | V1068-K1070 PolarHBondContact O-N 3.25Š|
| 1071 | R | 65 | Low | 48.1 | Very low | 133 Ų | 133 | 100.3 Ų | 100.3 | 50% | 0.502 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -23.4 | 176.1 | -174.1 | 172.9 | -161.1 | -173.5 | 8 | 113.8 | T885 I887 P1069 | T885-R1071 PolarHBondContact O-NH2 2.82Å; I887-R1071 PolarHBondContact O-NH1 3.28Å; I887-R1071 PolarHBondContact O-NH2 3.46Å; P1069-R1071 PolarHBondContact O-N 3.07Å |
| 1072 | F | 59.3 | Low | 48.9 | Very low | 38 Ų | 38 | 95.4 Ų | 95.4 | 17% | 0.167 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -17.8 | -173.2 | -62.2 | -92 | 0 | 0 | 0 | 112.8 | Y892 Y991 Y994 P1069 | Y892-F1072 AromaticContact CD1-CE1 3.85Å; Y892-F1072 HydrophobicContact CD1-CE1 3.85Å; Y892-F1072 HydrophobicContact CD1-CZ 4.42Å; Y892-F1072 HydrophobicContact CE1-CE1 4.12Å; Y991-F1072 HydrophobicContact CD1-CD2 4.23Å; Y991-F1072 HydrophobicContact CD1-CE2 4.29Å; Y991-F1072 HydrophobicContact CD1-CG 4.44Å; Y991-F1072 AromaticContact CE1-CD2 3.68Å; Y991-F1072 HydrophobicContact CE1-CD2 3.68Å; Y991-F1072 AromaticContact CE1-CE2 3.74Å; Y991-F1072 HydrophobicContact CE1-CE2 3.74Å; Y991-F1072 HydrophobicContact CE1-CG 4.29Å; Y991-F1072 HydrophobicContact CE1-CZ 4.4Å; Y994-F1072 AromaticContact CD1-CD1 3.9Å; Y994-F1072 HydrophobicContact CD1-CD1 3.9Å; Y994-F1072 HydrophobicContact CD1-CE1 4.37Å; Y994-F1072 HydrophobicContact CD2-CB 4.12Å; Y994-F1072 HydrophobicContact CD2-CD1 4.1Å; Y994-F1072 AromaticContact CE1-CD1 3.73Å; Y994-F1072 HydrophobicContact CE1-CD1 3.73Å; Y994-F1072 HydrophobicContact CE1-CE1 4.05Å; Y994-F1072 HydrophobicContact CE2-CB 4.36Å; Y994-F1072 AromaticContact CE2-CD1 3.94Å; Y994-F1072 HydrophobicContact CE2-CD1 3.94Å; Y994-F1072 HydrophobicContact CG-CD1 4.11Å; Y994-F1072 AromaticContact CZ-CD1 3.79Å; P1069-F1072 HydrophobicContact CB-CB 4.46Å; P1069-F1072 HydrophobicContact CB-CD2 3.92Å; P1069-F1072 PolarHBondContact O-N 3.15Å |
| 1073 | F | 62 | Low | 49.6 | Very low | 16 Ų | 16 | 93.7 Ų | 93.7 | 7% | 0.07 | 55% | 0.547 | C | S | . | . | trans | -139 | 127.8 | -176.1 | -59.2 | -79.3 | 0 | 0 | 0 | 110.5 | C990 V1036 V1040 V1068 P1069 | C990-F1073 HydrophobicContact CB-CE2 4.18Å; C990-F1073 WeakPolarHBondContact O-CZ 3.4Å; V1036-F1073 HydrophobicContact CB-CD1 3.99Å; V1036-F1073 HydrophobicContact CG2-CB 4.14Å; V1036-F1073 HydrophobicContact CG2-CD1 3.51Å; V1036-F1073 HydrophobicContact CG2-CE1 4.26Å; V1036-F1073 HydrophobicContact CG2-CG 4.11Å; V1040-F1073 HydrophobicContact CG1-CE1 4.35Å; V1068-F1073 HydrophobicContact CB-CB 3.99Å; V1068-F1073 HydrophobicContact CB-CD2 4.12Å; V1068-F1073 HydrophobicContact CB-CG 4.24Å; V1068-F1073 HydrophobicContact CG1-CB 4.23Å; V1068-F1073 HydrophobicContact CG1-CD2 3.77Å; V1068-F1073 HydrophobicContact CG1-CE2 4.27Å; V1068-F1073 HydrophobicContact CG1-CG 3.98Å; V1068-F1073 HydrophobicContact CG2-CB 4.32Å; P1069-F1073 HydrophobicContact CB-CD2 4.38Å; P1069-F1073 HydrophobicContact CG-CD2 4.37Å; P1069-F1073 HydrophobicContact CG-CE2 4.45Å; P1069-F1073 PolarHBondContact O-N 2.9Å | ||
| 1074 | Q | 53.6 | Low | 50.8 | Low | 165 Ų | 165 | 96.1 Ų | 96.1 | 77% | 0.771 | 55% | 0.546 | S | S | * | . | trans | -79.1 | 145.8 | 170.6 | -72.7 | 175.1 | -29.8 | 0 | 0 | 110.6 | A1076 | Q1074-A1076 PolarHBondContact O-N 3.08Š| ||
| 1075 | L | 45.3 | Very low | 52.4 | Low | 143 Ų | 143 | 92.5 Ų | 92.5 | 75% | 0.749 | 53% | 0.533 | S | S | * | . | trans | -80.4 | 110 | 166.4 | -81.6 | 145.2 | 0 | 0 | 0 | 108 | ||||
| 1076 | A | 39.9 | Very low | 53.7 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | trans | -139.6 | 132 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1074 | Q1074-A1076 PolarHBondContact O-N 3.08Š| ||
| 1077 | F | 36.8 | Very low | 54.7 | Low | 186 Ų | 186 | 88.5 Ų | 88.5 | 82% | 0.816 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 67.2 | 155.7 | 177.6 | -60.6 | -77.3 | 0 | 0 | 0 | 117.7 | A1081 | F1077-A1081 HydrophobicContact CB-CB 4.27Š|
| 1078 | P | 38.7 | Very low | 55.6 | Low | 104 Ų | 104 | 88.2 Ų | 88.2 | 68% | 0.675 | 49% | 0.493 | S | S | * | . | trans | -64.9 | 154 | -178.4 | -21.8 | 34.5 | 0 | 0 | 0 | 113.6 | G1080 A1081 | P1078-G1080 PolarHBondContact O-N 3.44Å; P1078-A1081 PolarHBondContact O-N 2.75Å | ||
| 1079 | V | 39.7 | Very low | 56.1 | Low | 163 Ų | 163 | 96.7 Ų | 96.7 | 99% | 0.988 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 99.8 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1080 | G | 45.2 | Very low | 56.8 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 75% | 0.753 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143.3 | -15 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | P1078 N1082 | P1078-G1080 PolarHBondContact O-N 3.44Å; G1080-N1082 PolarHBondContact O-N 2.73Å |
| 1081 | A | 42.2 | Very low | 57.4 | Low | 75 Ų | 75 | 90.4 Ų | 90.4 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | trans | -71.1 | 12.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | F1077 P1078 | F1077-A1081 HydrophobicContact CB-CB 4.27Å; P1078-A1081 PolarHBondContact O-N 2.75Å | ||
| 1082 | N | 48.8 | Very low | 57.7 | Low | 47 Ų | 47 | 86.9 Ų | 86.9 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | trans | -148.7 | 117.5 | 175.9 | -156.1 | -9.4 | 0 | 0 | 0 | 114.1 | W1041 G1080 K1084 Y1086 | W1041-N1082 HydrophobicContact CE3-CB 4.42Å; W1041-N1082 HydrophobicContact CH2-CB 3.25Å; W1041-N1082 WeakPolarHBondContact CH2-ND2 3.47Å; W1041-N1082 HydrophobicContact CZ2-CB 3.85Å; W1041-N1082 VanDerWaalsContact CZ2-ND2 3.31Å; W1041-N1082 WeakPolarHBondContact CZ2-ND2 3.47Å; W1041-N1082 HydrophobicContact CZ3-CB 3.52Å; W1041-N1082 VanDerWaalsContact CZ3-ND2 3.31Å; W1041-N1082 WeakPolarHBondContact CZ3-ND2 3.38Å; G1080-N1082 PolarHBondContact O-N 2.73Å; N1082-K1084 PolarHBondContact OD1-N 2.99Å; N1082-K1084 VanDerWaalsContact OD1-N 3.09Å; N1082-Y1086 VanDerWaalsContact ND2-CE2 3.26Å; N1082-Y1086 WeakPolarHBondContact ND2-CE2 3.29Å; N1082-Y1086 PolarHBondContact ND2-OH 3.11Å; N1082-Y1086 PolarHBondContact OD1-OH 3.36Å | ||
| 1083 | S | 56.4 | Low | 58.3 | Low | 131 Ų | 131 | 88.6 Ų | 88.6 | 92% | 0.916 | 51% | 0.513 | S | S | * | . | trans | -117.5 | 1.8 | 176.5 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1084 | K | 60.7 | Low | 59 | Low | 156 Ų | 156 | 91 Ų | 91 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | trans | -93.2 | 140.6 | -175.5 | -160.9 | 172.9 | -173.7 | 176.8 | 0 | 110 | N1082 Y1086 | N1082-K1084 PolarHBondContact OD1-N 2.99Å; N1082-K1084 VanDerWaalsContact OD1-N 3.09Å; K1084-Y1086 HydrophobicContact CB-CE2 4.45Å; K1084-Y1086 WeakPolarHBondContact O-CD2 3.49Å; K1084-Y1086 WeakPolarHBondContact O-CE2 3.27Å | ||
| 1085 | S | 70.3 | Confident | 59.8 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | trans | -89.5 | 151.4 | 173 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | D1045 | D1045-S1085 WeakPolarHBondContact OD2-CA 3.38Å; D1045-S1085 WeakPolarHBondContact OD2-CB 3.14Å; D1045-S1085 PolarHBondContact OD2-OG 3.22Å | ||
| 1086 | Y | 72.7 | Confident | 61 | Low | 36 Ų | 36 | 83.5 Ų | 83.5 | 14% | 0.141 | 48% | 0.484 | C | S | . | . | trans | -116.8 | 8.2 | -178.5 | -62.7 | -90.9 | 0 | 0 | 0 | 113.1 | F1038 W1041 D1045 N1082 K1084 | F1038-Y1086 AromaticContact CD1-CD1 4Å; F1038-Y1086 HydrophobicContact CD1-CD1 4Å; F1038-Y1086 AromaticContact CD1-CE1 3.43Å; F1038-Y1086 HydrophobicContact CD1-CE1 3.43Å; F1038-Y1086 VanDerWaalsContact CD1-CE1 3.43Å; F1038-Y1086 AromaticContact CE1-CE1 3.65Å; F1038-Y1086 HydrophobicContact CE1-CE1 3.65Å; W1041-Y1086 HydrophobicContact CB-CD2 3.46Å; W1041-Y1086 VanDerWaalsContact CB-CD2 3.46Å; W1041-Y1086 HydrophobicContact CB-CE2 3.93Å; W1041-Y1086 HydrophobicContact CB-CG 3.8Å; W1041-Y1086 HydrophobicContact CD2-CE2 4.18Å; W1041-Y1086 HydrophobicContact CE3-CE2 4.31Å; W1041-Y1086 HydrophobicContact CG-CD2 4.01Å; W1041-Y1086 AromaticContact CG-CE2 3.95Å; W1041-Y1086 HydrophobicContact CG-CE2 3.95Å; D1045-Y1086 PolarHBondContact OD2-N 2.95Å; N1082-Y1086 VanDerWaalsContact ND2-CE2 3.26Å; N1082-Y1086 WeakPolarHBondContact ND2-CE2 3.29Å; N1082-Y1086 PolarHBondContact ND2-OH 3.11Å; N1082-Y1086 PolarHBondContact OD1-OH 3.36Å; K1084-Y1086 HydrophobicContact CB-CE2 4.45Å; K1084-Y1086 WeakPolarHBondContact O-CD2 3.49Å; K1084-Y1086 WeakPolarHBondContact O-CE2 3.27Å | ||
| 1087 | L | 72.3 | Confident | 62.6 | Low | 21 Ų | 21 | 82.5 Ų | 82.5 | 11% | 0.11 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -78.8 | 145.7 | 168.9 | -67 | 173.9 | 0 | 0 | 0 | 110.7 | L1011 A1042 D1045 L1046 L1049 F1091 | L1011-L1087 HydrophobicContact CD1-CD2 4.39Å; A1042-L1087 WeakPolarHBondContact O-CD2 3.3Å; D1045-L1087 HydrophobicContact CB-CD1 3.85Å; D1045-L1087 HydrophobicContact CB-CD2 4.38Å; D1045-L1087 HydrophobicContact CB-CG 3.72Å; L1046-L1087 HydrophobicContact CB-CD2 4.11Å; L1046-L1087 HydrophobicContact CD1-CD2 3.92Å; L1049-L1087 HydrophobicContact CD2-CD1 4.35Å; L1087-F1091 HydrophobicContact CB-CB 4.04Å; L1087-F1091 HydrophobicContact CD1-CB 4.02Å |
| 1088 | P | 71.3 | Confident | 63.9 | Low | 21 Ų | 21 | 73.8 Ų | 73.8 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | trans | -60.5 | 151.8 | 167.6 | -22.3 | 33 | 0 | 0 | 0 | 112.2 | L1011 S1090 F1091 | L1011-P1088 HydrophobicContact CD1-CG 3.77Å; P1088-S1090 PolarHBondContact O-N 2.95Å; P1088-F1091 PolarHBondContact O-N 3.31Å | ||
| 1089 | Y | 72.9 | Confident | 65.2 | Low | 208 Ų | 208 | 75.4 Ų | 75.4 | 82% | 0.816 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -51.8 | -24.1 | 178.9 | -65.5 | -70.6 | 0 | 0 | 0 | 114.6 | F1091 D1092 | Y1089-F1091 PolarHBondContact O-N 3.41Å; Y1089-D1092 WeakPolarHBondContact CD1-OD2 3.45Å; Y1089-D1092 PolarHBondContact O-N 2.85Å; Y1089-D1092 VanDerWaalsContact O-N 3.15Å |
| 1090 | S | 76.6 | Confident | 66.4 | Low | 56 Ų | 56 | 72.1 Ų | 72.1 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -59.5 | -20.6 | 173.2 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | D1008 P1088 | D1008-S1090 VanDerWaalsContact OD1-CB 3.29Å; D1008-S1090 WeakPolarHBondContact OD1-CB 3.31Å; D1008-S1090 PolarHBondContact OD1-OG 3.19Å; P1088-S1090 PolarHBondContact O-N 2.95Å |
| 1091 | F | 75.2 | Confident | 67.1 | Low | 1 Ų | 1 | 74.4 Ų | 74.4 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -97.3 | -12.5 | 176.9 | -70 | -88.9 | 0 | 0 | 0 | 113.8 | D1008 L1011 R1012 K1015 L1046 L1049 L1087 P1088 Y1089 A1093 E1094 M1095 | D1008-F1091 WeakPolarHBondContact OD1-CE2 3.42Å; L1011-F1091 HydrophobicContact CB-CE2 4.14Å; L1011-F1091 HydrophobicContact CB-CZ 4.08Å; L1011-F1091 HydrophobicContact CD1-CE2 4.2Å; R1012-F1091 HydrophobicContact CG-CZ 3.89Å; K1015-F1091 HydrophobicContact CD-CE1 4.24Å; L1046-F1091 HydrophobicContact CD1-CD1 4.23Å; L1046-F1091 HydrophobicContact CD1-CE1 3.9Å; L1046-F1091 HydrophobicContact CD1-CZ 4.4Å; L1049-F1091 HydrophobicContact CD2-CD1 3.87Å; L1087-F1091 HydrophobicContact CB-CB 4.04Å; L1087-F1091 HydrophobicContact CD1-CB 4.02Å; P1088-F1091 PolarHBondContact O-N 3.31Å; Y1089-F1091 PolarHBondContact O-N 3.41Å; F1091-A1093 PolarHBondContact O-N 3.12Å; F1091-E1094 WeakPolarHBondContact CD1-OE2 3.39Å; F1091-E1094 WeakPolarHBondContact O-CB 3.2Å; F1091-E1094 PolarHBondContact O-N 3.01Å; F1091-M1095 PolarHBondContact O-N 2.92Å |
| 1092 | D | 71.8 | Confident | 67.8 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 32% | 0.316 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | -179.8 | -89.3 | -32.8 | 0 | 0 | 0 | 112.4 | Y1089 M1095 K1096 | Y1089-D1092 WeakPolarHBondContact CD1-OD2 3.45Å; Y1089-D1092 PolarHBondContact O-N 2.85Å; Y1089-D1092 VanDerWaalsContact O-N 3.15Å; D1092-M1095 PolarHBondContact O-N 3.13Å; D1092-K1096 WeakPolarHBondContact O-CB 3.26Å; D1092-K1096 VanDerWaalsContact O-CG 3.32Å; D1092-K1096 WeakPolarHBondContact O-CG 3.17Å; D1092-K1096 PolarHBondContact O-N 3.39Å |
| 1093 | A | 72.3 | Confident | 68.2 | Low | 74 Ų | 74 | 77.9 Ų | 77.9 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1091 S1097 | F1091-A1093 PolarHBondContact O-N 3.12Å; A1093-S1097 WeakPolarHBondContact O-CB 3.3Å; A1093-S1097 PolarHBondContact O-N 2.84Å |
| 1094 | E | 75.6 | Confident | 68.3 | Low | 65 Ų | 65 | 80.8 Ų | 80.8 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 173.7 | -64.2 | -168.3 | 158.4 | 0 | 0 | 111.2 | K1015 L1049 F1091 S1097 A1098 | K1015-E1094 IonicContact NZ-OE1 3.87Å; K1015-E1094 PolarHBondContact NZ-OE1 3.13Å; K1015-E1094 IonicContact NZ-OE2 2.86Å; K1015-E1094 PolarHBondContact NZ-OE2 3.07Å; L1049-E1094 HydrophobicContact CD1-CB 3.99Å; L1049-E1094 HydrophobicContact CD2-CB 4.31Å; F1091-E1094 WeakPolarHBondContact CD1-OE2 3.39Å; F1091-E1094 WeakPolarHBondContact O-CB 3.2Å; F1091-E1094 PolarHBondContact O-N 3.01Å; E1094-S1097 WeakPolarHBondContact O-CB 3.49Å; E1094-S1097 PolarHBondContact O-N 3.39Å; E1094-A1098 WeakPolarHBondContact O-CB 3.5Å; E1094-A1098 PolarHBondContact O-N 3.36Å |
| 1095 | M | 71.3 | Confident | 67.9 | Low | 13 Ų | 13 | 74.6 Ų | 74.6 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.8 | -40.2 | -177.6 | -164 | 57.6 | 160.3 | 0 | 0 | 112.5 | N1048 L1049 F1091 D1092 A1098 R1099 | N1048-M1095 HydrophobicContact CB-CE 4.41Å; L1049-M1095 HydrophobicContact CB-SD 3.77Å; L1049-M1095 HydrophobicContact CD1-CB 4.11Å; L1049-M1095 HydrophobicContact CD1-SD 3.63Å; L1049-M1095 HydrophobicContact CG-SD 4.29Å; F1091-M1095 PolarHBondContact O-N 2.92Å; D1092-M1095 PolarHBondContact O-N 3.13Å; M1095-A1098 PolarHBondContact O-N 2.86Å; M1095-R1099 WeakPolarHBondContact O-CB 3.43Å; M1095-R1099 WeakPolarHBondContact O-CG 3.36Å; M1095-R1099 PolarHBondContact O-N 3.42Å |
| 1096 | K | 70.3 | Confident | 66.8 | Low | 138 Ų | 138 | 74.3 Ų | 74.3 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64 | -42 | 170.2 | -73.3 | 172.3 | -180 | 172.1 | 0 | 111.4 | D1092 M1100 | D1092-K1096 WeakPolarHBondContact O-CB 3.26Å; D1092-K1096 VanDerWaalsContact O-CG 3.32Å; D1092-K1096 WeakPolarHBondContact O-CG 3.17Å; D1092-K1096 PolarHBondContact O-N 3.39Å; K1096-M1100 WeakPolarHBondContact O-CB 3.5Å; K1096-M1100 PolarHBondContact O-N 2.98Å |
| 1097 | S | 72.9 | Confident | 65.6 | Low | 49 Ų | 49 | 75.3 Ų | 75.3 | 34% | 0.343 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | A1093 E1094 K1101 | A1093-S1097 WeakPolarHBondContact O-CB 3.3Å; A1093-S1097 PolarHBondContact O-N 2.84Å; E1094-S1097 WeakPolarHBondContact O-CB 3.49Å; E1094-S1097 PolarHBondContact O-N 3.39Å; S1097-K1101 WeakPolarHBondContact O-CG 3.45Å; S1097-K1101 PolarHBondContact O-N 3.34Å; S1097-K1101 VanDerWaalsContact O-N 3.07Å |
| 1098 | A | 64 | Low | 64.2 | Low | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.017 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -52 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1049 C1052 E1094 M1095 M1100 K1101 L1102 | L1049-A1098 HydrophobicContact CD1-CB 4.05Å; C1052-A1098 HydrophobicContact CB-CB 4.09Å; E1094-A1098 WeakPolarHBondContact O-CB 3.5Å; E1094-A1098 PolarHBondContact O-N 3.36Å; M1095-A1098 PolarHBondContact O-N 2.86Å; A1098-M1100 PolarHBondContact O-N 3.17Å; A1098-K1101 PolarHBondContact O-N 2.94Å; A1098-K1101 VanDerWaalsContact O-N 3.15Å; A1098-L1102 PolarHBondContact O-N 3.3Å |
| 1099 | R | 65.8 | Low | 62.7 | Low | 138 Ų | 138 | 79 Ų | 79 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 178.2 | -72.9 | 179.9 | 175 | 174.4 | 0 | 112.5 | M1095 K1101 L1102 Q1103 | M1095-R1099 WeakPolarHBondContact O-CB 3.43Å; M1095-R1099 WeakPolarHBondContact O-CG 3.36Å; M1095-R1099 PolarHBondContact O-N 3.42Å; R1099-K1101 PolarHBondContact O-N 3.05Å; R1099-L1102 PolarHBondContact O-N 2.71Å; R1099-Q1103 WeakPolarHBondContact O-CG 3.45Å; R1099-Q1103 PolarHBondContact O-N 3.42Å |
| 1100 | M | 65.2 | Low | 60.9 | Low | 94 Ų | 94 | 74.9 Ų | 74.9 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 174.1 | -83.2 | -164.7 | -83.2 | 0 | 0 | 113.2 | K1096 A1098 R1104 | K1096-M1100 WeakPolarHBondContact O-CB 3.5Å; K1096-M1100 PolarHBondContact O-N 2.98Å; A1098-M1100 PolarHBondContact O-N 3.17Å; M1100-R1104 WeakPolarHBondContact O-CB 3.38Å; M1100-R1104 VanDerWaalsContact O-CG 3.27Å; M1100-R1104 WeakPolarHBondContact O-CG 3.28Å; M1100-R1104 PolarHBondContact O-N 3.26Å |
| 1101 | K | 61.4 | Low | 59.1 | Low | 121 Ų | 121 | 75.8 Ų | 75.8 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 173.7 | -75.1 | 170.8 | -177.7 | 176 | 0 | 111.3 | S1097 A1098 R1099 R1104 S1105 | S1097-K1101 WeakPolarHBondContact O-CG 3.45Å; S1097-K1101 PolarHBondContact O-N 3.34Å; S1097-K1101 VanDerWaalsContact O-N 3.07Å; A1098-K1101 PolarHBondContact O-N 2.94Å; A1098-K1101 VanDerWaalsContact O-N 3.15Å; R1099-K1101 PolarHBondContact O-N 3.05Å; K1101-R1104 PolarHBondContact O-N 3.02Å; K1101-S1105 WeakPolarHBondContact O-CB 3.35Å; K1101-S1105 PolarHBondContact O-N 3.41Å; K1101-S1105 PolarHBondContact O-OG 3.12Å |
| 1102 | L | 56.6 | Low | 57.1 | Low | 62 Ų | 62 | 78.4 Ų | 78.4 | 33% | 0.325 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 176 | -168.9 | 66.3 | 0 | 0 | 0 | 111.1 | A1098 R1099 R1104 S1105 A1106 | A1098-L1102 PolarHBondContact O-N 3.3Å; R1099-L1102 PolarHBondContact O-N 2.71Å; L1102-R1104 PolarHBondContact O-N 3.23Å; L1102-S1105 PolarHBondContact O-N 3.09Å; L1102-S1105 VanDerWaalsContact O-N 3.14Å; L1102-S1105 PolarHBondContact O-OG 2.75Å; L1102-A1106 PolarHBondContact O-N 3.36Å |
| 1103 | Q | 57.5 | Low | 55.3 | Low | 134 Ų | 134 | 80.9 Ų | 80.9 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.7 | -46.9 | 177.9 | -74.3 | 174.5 | -34 | 0 | 0 | 113.1 | R1099 S1105 A1106 A1107 | R1099-Q1103 WeakPolarHBondContact O-CG 3.45Å; R1099-Q1103 PolarHBondContact O-N 3.42Å; Q1103-S1105 PolarHBondContact O-N 3.44Å; Q1103-A1106 PolarHBondContact O-N 2.96Å; Q1103-A1107 PolarHBondContact O-N 3.12Å; Q1103-A1107 VanDerWaalsContact O-N 3.1Å |
| 1104 | R | 58.1 | Low | 53.5 | Low | 191 Ų | 191 | 81 Ų | 81 | 72% | 0.721 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60 | -35.2 | 176.7 | -74.4 | 175.6 | -177.9 | -169.8 | 0.7 | 112.4 | M1100 K1101 L1102 G1108 | M1100-R1104 WeakPolarHBondContact O-CB 3.38Å; M1100-R1104 VanDerWaalsContact O-CG 3.27Å; M1100-R1104 WeakPolarHBondContact O-CG 3.28Å; M1100-R1104 PolarHBondContact O-N 3.26Å; K1101-R1104 PolarHBondContact O-N 3.02Å; L1102-R1104 PolarHBondContact O-N 3.23Å; R1104-G1108 PolarHBondContact O-N 3.46Å |
| 1105 | S | 50.9 | Low | 51.5 | Low | 26 Ų | 26 | 81.5 Ų | 81.5 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -79.2 | -30.2 | 178.8 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | I1056 K1101 L1102 Q1103 G1108 N1109 | I1056-S1105 WeakPolarHBondContact CG1-OG 3.47Å; I1056-S1105 WeakPolarHBondContact CG2-OG 3.25Å; K1101-S1105 WeakPolarHBondContact O-CB 3.35Å; K1101-S1105 PolarHBondContact O-N 3.41Å; K1101-S1105 PolarHBondContact O-OG 3.12Å; L1102-S1105 PolarHBondContact O-N 3.09Å; L1102-S1105 VanDerWaalsContact O-N 3.14Å; L1102-S1105 PolarHBondContact O-OG 2.75Å; Q1103-S1105 PolarHBondContact O-N 3.44Å; S1105-G1108 PolarHBondContact O-N 3.3Å; S1105-N1109 PolarHBondContact O-ND2 3.03Å |
| 1106 | A | 48.1 | Very low | 49.6 | Very low | 52 Ų | 52 | 89.1 Ų | 89.1 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1102 Q1103 G1108 N1109 L1110 | L1102-A1106 PolarHBondContact O-N 3.36Å; Q1103-A1106 PolarHBondContact O-N 2.96Å; A1106-G1108 VanDerWaalsContact C-N 3.3Å; A1106-G1108 PolarHBondContact O-N 3Å; A1106-N1109 PolarHBondContact O-N 3.11Å; A1106-L1110 PolarHBondContact O-N 2.96Å |
| 1107 | A | 47.1 | Very low | 47.7 | Very low | 57 Ų | 57 | 87.7 Ų | 87.7 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Q1103 N1109 L1110 S1111 | Q1103-A1107 PolarHBondContact O-N 3.12Å; Q1103-A1107 VanDerWaalsContact O-N 3.1Å; A1107-N1109 VanDerWaalsContact C-N 3.33Å; A1107-N1109 PolarHBondContact O-N 3.23Å; A1107-L1110 PolarHBondContact O-N 3.15Å; A1107-S1111 PolarHBondContact O-N 3.32Å; A1107-S1111 VanDerWaalsContact O-N 3.12Å |
| 1108 | G | 44 | Very low | 45.5 | Very low | 35 Ų | 35 | 91.3 Ų | 91.3 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -31.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1104 S1105 A1106 S1111 A1112 | R1104-G1108 PolarHBondContact O-N 3.46Å; S1105-G1108 PolarHBondContact O-N 3.3Å; A1106-G1108 VanDerWaalsContact C-N 3.3Å; A1106-G1108 PolarHBondContact O-N 3Å; G1108-S1111 PolarHBondContact O-OG 2.97Å; G1108-A1112 PolarHBondContact O-N 3.46Å |
| 1109 | N | 39.5 | Very low | 43.8 | Very low | 84 Ų | 84 | 96.3 Ų | 96.3 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.9 | -34.4 | 175.1 | -68.6 | -40.1 | 0 | 0 | 0 | 111.7 | S1105 A1106 A1107 A1112 I1113 | S1105-N1109 PolarHBondContact O-ND2 3.03Å; A1106-N1109 PolarHBondContact O-N 3.11Å; A1107-N1109 VanDerWaalsContact C-N 3.33Å; A1107-N1109 PolarHBondContact O-N 3.23Å; N1109-A1112 PolarHBondContact O-N 2.99Å; N1109-I1113 WeakPolarHBondContact O-CG1 3.19Å; N1109-I1113 PolarHBondContact O-N 2.95Å; N1109-I1113 VanDerWaalsContact O-N 3.12Å |
| 1110 | L | 35.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 99 Ų | 99 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.2 | -40.8 | 174.6 | -78.7 | 161.1 | 0 | 0 | 0 | 112 | A1106 A1107 A1112 I1113 S1114 | A1106-L1110 PolarHBondContact O-N 2.96Å; A1107-L1110 PolarHBondContact O-N 3.15Å; L1110-A1112 VanDerWaalsContact C-N 3.33Å; L1110-A1112 PolarHBondContact O-N 3.37Å; L1110-I1113 PolarHBondContact O-N 2.92Å; L1110-S1114 WeakPolarHBondContact O-CB 3.12Å; L1110-S1114 PolarHBondContact O-N 3.25Å |
| 1111 | S | 38.2 | Very low | 40.4 | Very low | 74 Ų | 74 | 102.8 Ų | 102.8 | 52% | 0.517 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -35.6 | 174.1 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | A1107 G1108 S1114 A1115 | A1107-S1111 PolarHBondContact O-N 3.32Å; A1107-S1111 VanDerWaalsContact O-N 3.12Å; G1108-S1111 PolarHBondContact O-OG 2.97Å; S1111-S1114 PolarHBondContact O-N 2.95Å; S1111-A1115 WeakPolarHBondContact O-CB 3.17Å; S1111-A1115 PolarHBondContact O-N 3.46Å |
| 1112 | A | 32.4 | Very low | 38.7 | Very low | 56 Ų | 56 | 101.2 Ų | 101.2 | 46% | 0.463 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.2 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1108 N1109 L1110 | G1108-A1112 PolarHBondContact O-N 3.46Å; N1109-A1112 PolarHBondContact O-N 2.99Å; L1110-A1112 VanDerWaalsContact C-N 3.33Å; L1110-A1112 PolarHBondContact O-N 3.37Å |
| 1113 | I | 34.5 | Very low | 37.7 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71 | -41.7 | 175.7 | -68 | 166.2 | 0 | 0 | 0 | 110.9 | N1109 L1110 A1115 M1116 T1117 | N1109-I1113 WeakPolarHBondContact O-CG1 3.19Å; N1109-I1113 PolarHBondContact O-N 2.95Å; N1109-I1113 VanDerWaalsContact O-N 3.12Å; L1110-I1113 PolarHBondContact O-N 2.92Å; I1113-A1115 PolarHBondContact O-N 3.35Å; I1113-M1116 PolarHBondContact O-N 3.37Å; I1113-M1116 VanDerWaalsContact O-N 3.13Å; I1113-T1117 PolarHBondContact O-OG1 2.9Å |
| 1114 | S | 33.9 | Very low | 36.5 | Very low | 76 Ų | 76 | 103.3 Ų | 103.3 | 53% | 0.531 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.5 | -24 | 177 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | L1110 S1111 M1116 | L1110-S1114 WeakPolarHBondContact O-CB 3.12Å; L1110-S1114 PolarHBondContact O-N 3.25Å; S1111-S1114 PolarHBondContact O-N 2.95Å; S1114-M1116 VanDerWaalsContact C-N 3.33Å |
| 1115 | A | 34.3 | Very low | 35 | Very low | 76 Ų | 76 | 99.6 Ų | 99.6 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1111 I1113 | S1111-A1115 WeakPolarHBondContact O-CB 3.17Å; S1111-A1115 PolarHBondContact O-N 3.46Å; I1113-A1115 PolarHBondContact O-N 3.35Å |
| 1116 | M | 31.9 | Very low | 34 | Very low | 173 Ų | 173 | 106.1 Ų | 106.1 | 85% | 0.852 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -1.6 | -178.6 | -78.3 | -168.3 | 157.2 | 0 | 0 | 114.7 | I1113 S1114 | I1113-M1116 PolarHBondContact O-N 3.37Å; I1113-M1116 VanDerWaalsContact O-N 3.13Å; S1114-M1116 VanDerWaalsContact C-N 3.33Å |
| 1117 | T | 29.1 | Very low | 33 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -117.5 | -3.7 | -170.9 | 37.4 | 0 | 0 | 0 | 0 | 115.4 | I1113 S1119 | I1113-T1117 PolarHBondContact O-OG1 2.9Å; T1117-S1119 PolarHBondContact O-N 2.93Å |
| 1118 | T | 27.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | trans | -89.7 | 71.8 | 179 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1119 | S | 29.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -135.8 | 83.1 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | T1117 | T1117-S1119 PolarHBondContact O-N 2.93Š| ||
| 1120 | K | 30.4 | Very low | 30.9 | Very low | 194 Ų | 194 | 123 Ų | 123 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | 47.8 | 105.9 | 161.2 | -62.4 | -177.7 | 176.9 | -177.6 | 0 | 117.5 | ||||
| 1121 | L | 29 | Very low | 30.5 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | -173.5 | 145.2 | 100.9 | -99.4 | 159.9 | 0 | 0 | 0 | 112.8 | |||||
| 1122 | A | 25.8 | Very low | 30 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -165.1 | 169.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1123 | P | 35.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | cis | -127.3 | 175.6 | -11.8 | 40.8 | -27 | 0 | 0 | 0 | 113.3 | ||||
| 1124 | T | 31.1 | Very low | 29.7 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -166.6 | 105.2 | 140.1 | 28.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1125 | T | 27.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | 57.3 | 96.8 | 78.2 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1126 | D | 30 | Very low | 29.1 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | -154.7 | 165.3 | 117.5 | -101.7 | -22.5 | 0 | 0 | 0 | 111.4 | |||||
| 1127 | E | 27.1 | Very low | 28.9 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -74.4 | 174.4 | -171 | -51.5 | -179.9 | 115.2 | 0 | 0 | 112.8 | ||||
| 1128 | K | 30.4 | Very low | 29.1 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -155.3 | 174.7 | 23 | -138.7 | 135.5 | -169 | 159.1 | 0 | 111.5 | ||||
| 1129 | S | 26.5 | Very low | 29.1 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -96.2 | 153.3 | -176.5 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1130 | L | 28.9 | Very low | 29.1 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | 168.9 | 169.5 | 120.4 | -92 | 156.9 | 0 | 0 | 0 | 115.1 | |||||
| 1131 | S | 28.5 | Very low | 29.1 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 161.7 | -164.5 | 52.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1132 | V | 27.7 | Very low | 29 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -25.7 | 151.6 | 137.8 | -116 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1133 | P | 34 | Very low | 29.2 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -150.5 | 171.3 | 39.2 | 43 | -21.6 | 0 | 0 | 0 | 121 | ||||
| 1134 | T | 25.5 | Very low | 28.7 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 31.7 | 139 | 145.6 | -38.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1135 | A | 26.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 126 | 133.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1136 | G | 28.6 | Very low | 28.7 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 172 | 38.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1137 | S | 28.2 | Very low | 28.7 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -78.6 | 131.1 | -171.4 | -48.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1138 | K | 33.6 | Very low | 28.8 | Very low | 212 Ų | 212 | 129 Ų | 129 | 92% | 0.922 | 77% | 0.765 | S | S | * | * | trans | -139 | 149.7 | 147.6 | -91.1 | -169 | 175 | -177.8 | 0 | 109.5 | ||||
| 1139 | S | 26.5 | Very low | 28.8 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -156.2 | 170.7 | -160.4 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1140 | I | 29.6 | Very low | 28.8 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 133.7 | 176.8 | -49.7 | 153.2 | 0 | 0 | 0 | 111.1 | ||||
| 1141 | G | 29.6 | Very low | 29 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | 171.6 | -164.8 | 1.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1142 | E | 27.9 | Very low | 28.9 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | cis | -170.4 | 148.8 | -27.6 | -142 | 176.3 | -163.4 | 0 | 0 | 107.6 | ||||
| 1143 | F | 29.3 | Very low | 29 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 55.3 | 156.2 | 173.7 | -59.2 | -74.6 | 0 | 0 | 0 | 117.7 | ||||
| 1144 | G | 26.3 | Very low | 28.8 | Very low | 55 Ų | 55 | 128.3 Ų | 128.3 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | cis | 135.3 | 129.1 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1145 | H | 30.7 | Very low | 29.4 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 88% | 0.884 | 76% | 0.764 | S | S | * | * | trans | 71.6 | 149.2 | -176.9 | -55.2 | -85.2 | 0 | 0 | 0 | 115.6 | ||||
| 1146 | S | 26.6 | Very low | 29.4 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | cis | -163.9 | 180 | -17.6 | 46 | 0 | 0 | 0 | 0 | 111 | ||||
| 1147 | E | 29.9 | Very low | 29.4 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | 71.6 | 100.4 | 156.7 | -72.3 | 179.4 | 155.7 | 0 | 0 | 121.1 | ||||
| 1148 | T | 29.2 | Very low | 29.3 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 66.1 | 151.2 | 125.5 | 52.2 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1149 | T | 30.3 | Very low | 29.2 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | trans | 72 | 94.3 | 155.1 | 43.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1150 | D | 27.8 | Very low | 29.1 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | 82 | 144.3 | 114.7 | -62.4 | -10.2 | 0 | 0 | 0 | 124.1 | |||||
| 1151 | A | 31.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 148 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1152 | S | 28.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -167.2 | 172.3 | -26.5 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1153 | E | 29.6 | Very low | 29.3 | Very low | 188 Ų | 188 | 132 Ų | 132 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | 73.2 | 168.1 | 157.5 | -62.7 | -166.3 | 135.4 | 0 | 0 | 120.8 | ||||
| 1154 | S | 28.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -146.1 | -169.3 | -177.6 | 65.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1155 | P | 39.1 | Very low | 29.3 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -139.5 | -172.7 | -2.2 | 42.5 | -23.8 | 0 | 0 | 0 | 115 | ||||
| 1156 | K | 27.1 | Very low | 29.1 | Very low | 207 Ų | 207 | 128.1 Ų | 128.1 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | trans | 54.3 | 126.8 | 149.3 | -73.1 | 165.5 | -177.6 | 175.2 | 0 | 120.7 | ||||
| 1157 | G | 27.7 | Very low | 29.1 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -163.8 | 116.3 | 156 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1158 | N | 25.4 | Very low | 28.9 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -109.1 | 141.8 | 174.6 | -83.2 | -8.4 | 0 | 0 | 0 | 110.2 | ||||
| 1159 | V | 31.8 | Very low | 28.9 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -139.1 | 134 | 148 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1160 | S | 25.2 | Very low | 28.8 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -117.6 | 161.8 | 172.4 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1161 | I | 32.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 128.9 | 149.7 | -105.7 | 147.5 | 0 | 0 | 0 | 110.9 | ||||
| 1162 | E | 29.4 | Very low | 28.6 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 42 | 134.9 | 149.5 | -54 | -179.2 | 160.9 | 0 | 0 | 121.9 | ||||
| 1163 | S | 28.3 | Very low | 28.5 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | 74.4 | 140.3 | 56.4 | 145 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1164 | S | 26.8 | Very low | 28.6 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | -172.9 | -176.8 | -15.2 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1165 | V | 28.6 | Very low | 28.6 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | trans | 77.5 | 98.7 | 152 | 173.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1166 | I | 26.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 153.4 Ų | 153.4 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | 69.2 | 139.2 | 123.2 | -64.6 | 177.3 | 0 | 0 | 0 | 123.7 | |||||
| 1167 | K | 28 | Very low | 28 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 99.8 | 110 | 155.5 | -84.4 | 150.2 | -166.8 | 168.8 | 0 | 120.5 | ||||
| 1168 | K | 25.8 | Very low | 28.2 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | 36.2 | 141.6 | 116.1 | -59.4 | 175.8 | 179.2 | 173.4 | 0 | 117.8 | |||||
| 1169 | K | 27.7 | Very low | 28.2 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | cis | -178.2 | 130.7 | 49.5 | -154.6 | 175.7 | -174.3 | -178.3 | 0 | 114.6 | ||||
| 1170 | G | 27.9 | Very low | 28.1 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 73.1 | 177.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1171 | R | 27.2 | Very low | 28.2 | Very low | 259 Ų | 259 | 154.9 Ų | 154.9 | 98% | 0.977 | 80% | 0.801 | S | S | * | * | cis | -163.3 | 129.7 | -11.7 | -131.9 | -178.3 | -175.2 | -171.5 | 1.3 | 109.6 | ||||
| 1172 | G | 29.9 | Very low | 27.7 | Very low | 85 Ų | 85 | 159.3 Ų | 159.3 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -170 | 112.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1173 | R | 24.8 | Very low | 27.7 | Very low | 230 Ų | 230 | 157.2 Ų | 157.2 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -144 | 158.1 | 171.1 | -127.3 | -166.3 | 172.5 | -173.5 | -0.4 | 105 | ||||
| 1174 | P | 33.2 | Very low | 27.5 | Very low | 110 Ų | 110 | 157 Ų | 157 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | -154.4 | 172 | 56.9 | 41.8 | -20.8 | 0 | 0 | 0 | 118.7 | |||||
| 1175 | R | 26.3 | Very low | 27.4 | Very low | 214 Ų | 214 | 158 Ų | 158 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | 17.2 | 137.7 | 143.8 | -64.2 | 173 | 165.5 | 164.7 | -7.3 | 120.8 | ||||
| 1176 | K | 28.8 | Very low | 27.2 | Very low | 206 Ų | 206 | 164.4 Ų | 164.4 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | -146.9 | 151.7 | 107.9 | -115.9 | 175.6 | -177 | 179.2 | 0 | 112.1 | |||||
| 1177 | V | 26 | Very low | 27.1 | Very low | 121 Ų | 121 | 161.2 Ų | 161.2 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -150.7 | 145.5 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1178 | P | 31.6 | Very low | 26.9 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | trans | -127.4 | 137.1 | 132.8 | 34.9 | -26.9 | 0 | 0 | 0 | 110.2 | ||||
| 1179 | E | 25.7 | Very low | 27 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | cis | 92.4 | 84.5 | 27.1 | -166.9 | 168.6 | -128.8 | 0 | 0 | 115.4 | ||||
| 1180 | A | 29 | Very low | 26.8 | Very low | 89 Ų | 89 | 155 Ų | 155 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -174.7 | 147.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1181 | K | 27.3 | Very low | 26.8 | Very low | 206 Ų | 206 | 157.3 Ų | 157.3 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | cis | -150.7 | 156.7 | -20.3 | -106.6 | 172.9 | -175.4 | 175.4 | 0 | 107.5 | ||||
| 1182 | R | 24.1 | Very low | 26.7 | Very low | 241 Ų | 241 | 154.6 Ų | 154.6 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -107.7 | 156.8 | 166.8 | -110 | -178 | -176.7 | -172.2 | 1.8 | 108 | ||||
| 1183 | P | 29 | Very low | 26.6 | Very low | 124 Ų | 124 | 158.7 Ų | 158.7 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | -150.5 | -166.2 | 80.7 | 40.6 | -20.2 | 0 | 0 | 0 | 115.7 | |||||
| 1184 | S | 23.1 | Very low | 26.7 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -76.7 | -178 | 174 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1185 | T | 25.3 | Very low | 26.3 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | cis | -171.2 | 163.6 | 37.9 | -29.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1186 | R | 23.7 | Very low | 26.2 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | 67.9 | 146.1 | 165.7 | -69.8 | 178.7 | 169.2 | 164.3 | -4.2 | 117.3 | ||||
| 1187 | G | 25 | Very low | 26 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 151.7 | 62.4 | 168 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1188 | S | 24.9 | Very low | 26 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 56.4 | 141.6 | 142.4 | -57.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 1189 | I | 27.7 | Very low | 25.7 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | 65.1 | 105.9 | 152.7 | -57.7 | 154.3 | 0 | 0 | 0 | 118 | T1191 | I1189-T1191 HydrophobicContact CG2-CG2 4.12Š| ||
| 1190 | Q | 22.7 | Very low | 25.7 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -109.8 | 106.5 | 144.3 | -79.6 | -170.7 | -14.7 | 0 | 0 | 108.9 | ||||
| 1191 | T | 28.5 | Very low | 25.6 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 135.5 | 165.1 | 31.5 | 0 | 0 | 0 | 0 | 110.1 | I1189 | I1189-T1191 HydrophobicContact CG2-CG2 4.12Š| ||
| 1192 | K | 24 | Very low | 25.6 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -74.2 | 143.5 | 166.5 | -57 | 170.6 | -176.1 | 171.6 | 0 | 108.6 | ||||
| 1193 | L | 27.7 | Very low | 25.6 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 108.6 | 147 | -85.6 | 174.9 | 0 | 0 | 0 | 108.7 | ||||
| 1194 | S | 27.3 | Very low | 25.5 | Very low | 93 Ų | 93 | 150 Ų | 150 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -76.7 | 154.6 | 154.2 | -158.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1195 | I | 25.1 | Very low | 25.7 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -108.8 | 89.3 | 171.7 | -59 | 178.7 | 0 | 0 | 0 | 107.5 | ||||
| 1196 | D | 23.5 | Very low | 25.8 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -140 | 159.8 | 166.8 | -77.9 | -62.8 | 0 | 0 | 0 | 108.7 | ||||
| 1197 | D | 25.8 | Very low | 25.9 | Very low | 124 Ų | 124 | 152 Ų | 152 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | 49.7 | 98.3 | 172.9 | -72.1 | -35.1 | 0 | 0 | 0 | 119.2 | ||||
| 1198 | F | 24.7 | Very low | 26 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | trans | -107.4 | 76.7 | 138.1 | -102.6 | -81.9 | 0 | 0 | 0 | 109.3 | ||||
| 1199 | R | 26.3 | Very low | 26.2 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 73% | 0.725 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 124.9 | 158.7 | -97.4 | -177.9 | 162.8 | 135.7 | -10.3 | 108.7 | ||||
| 1200 | L | 25.3 | Very low | 26.2 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -86.4 | 101.6 | 160.3 | -73 | 168.1 | 0 | 0 | 0 | 107 | ||||
| 1201 | D | 26.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -109.3 | 150 | 169 | -96.5 | -58.7 | 0 | 0 | 0 | 110.7 | ||||
| 1202 | V | 26.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 144.1 | -165.4 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | K1204 | V1202-K1204 PolarHBondContact O-N 3.22Š| ||
| 1203 | S | 24.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -56.7 | 123.6 | 179 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1204 | K | 27.3 | Very low | 27 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -128.5 | 120.7 | 149.9 | -76.9 | -164.5 | 172.3 | -165.6 | 0 | 109.4 | V1202 | V1202-K1204 PolarHBondContact O-N 3.22Š| ||
| 1205 | T | 27.5 | Very low | 27 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -133.2 | 98.3 | 171.8 | 50.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1206 | D | 27.7 | Very low | 27.3 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -76 | 150.8 | 169.4 | -77.6 | -58.5 | 0 | 0 | 0 | 110.5 | ||||
| 1207 | R | 25.6 | Very low | 27.5 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -98 | 156.8 | -176.5 | -71.3 | 178 | 172.1 | 171.7 | -2.4 | 111.1 | E191 | E191-R1207 IonicContact OE1-CZ 3.88Å; E191-R1207 IonicContact OE1-NH1 3.77Å; E191-R1207 IonicContact OE1-NH2 3Å; E191-R1207 PolarHBondContact OE1-NH2 3.03Å | ||
| 1208 | G | 27.7 | Very low | 27.9 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 107.4 | 149.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1209 | S | 29.2 | Very low | 28.1 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -171.6 | 137.7 | -10.3 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1210 | D | 27.3 | Very low | 28.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | 55.3 | 152.1 | 153.1 | -45 | -34.5 | 0 | 0 | 0 | 119 | ||||
| 1211 | A | 31 | Very low | 28.4 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | -152 | -173 | 20.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1212 | S | 27.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -70.2 | 174.2 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1213 | T | 30.9 | Very low | 28.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | -176.8 | 129.2 | 70.8 | -58 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1214 | L | 29.3 | Very low | 29 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 34.7 | 126.1 | 152.5 | -70.1 | 159.6 | 0 | 0 | 0 | 124.7 | ||||
| 1215 | A | 29 | Very low | 29.2 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | 69.4 | 151.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1216 | K | 31.3 | Very low | 29.6 | Very low | 212 Ų | 212 | 133.6 Ų | 133.6 | 92% | 0.922 | 76% | 0.756 | S | S | * | * | cis | -141.9 | -170.2 | 35.1 | -77 | 178.7 | 175.2 | 174.7 | 0 | 114.4 | ||||
| 1217 | S | 27.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -132.2 | -166.8 | -162.8 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1218 | S | 33.2 | Very low | 30.3 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 83.1 | 148.8 | 174.8 | 77.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1219 | R | 28.7 | Very low | 30.6 | Very low | 225 Ų | 225 | 129.2 Ų | 129.2 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | cis | -153.3 | 148.3 | -9 | -114.8 | 165.2 | 173.9 | 150.9 | -5.2 | 106.9 | ||||
| 1220 | A | 29.2 | Very low | 30.6 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | 62.4 | 144.6 | 83.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1221 | D | 30.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | cis | -157.7 | 163.9 | 31 | -92 | -61 | 0 | 0 | 0 | 115.1 | ||||
| 1222 | Q | 30.1 | Very low | 30.6 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 60.8 | 155.2 | 145.2 | -69.4 | 169.7 | -73 | 0 | 0 | 121.5 | ||||
| 1223 | E | 28.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | cis | -160.3 | 158.7 | 1 | -130.7 | 173.8 | -146.3 | 0 | 0 | 115.6 | ||||
| 1224 | N | 31.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | trans | 62.5 | 153.1 | 149.8 | -69.3 | -30.9 | 0 | 0 | 0 | 121.1 | ||||
| 1225 | N | 31.8 | Very low | 30.3 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -155.4 | 159 | 5.8 | -151.5 | -14.7 | 0 | 0 | 0 | 113.5 | ||||
| 1226 | V | 33.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | 54.9 | 136.3 | 166.3 | -161.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1227 | G | 30.2 | Very low | 29.9 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | cis | 140.8 | 165.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1228 | P | 38.7 | Very low | 29.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | cis | -133.8 | -169 | -10.4 | 41.6 | -23 | 0 | 0 | 0 | 114.8 | ||||
| 1229 | Q | 33 | Very low | 29.4 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | 73.8 | 113.3 | 170.3 | -59.9 | -179.9 | 1.7 | 0 | 0 | 117.8 | ||||
| 1230 | S | 29.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | cis | 86.6 | 142.8 | 30.7 | 80.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1231 | L | 29.4 | Very low | 29.2 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | cis | -172.6 | 158.8 | -15 | -93.4 | 172.2 | 0 | 0 | 0 | 104.8 | ||||
| 1232 | S | 30.1 | Very low | 29.1 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | cis | -173.7 | 153.5 | -24.9 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1233 | R | 28.7 | Very low | 29.2 | Very low | 215 Ų | 215 | 134 Ų | 134 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | 59.3 | 116.8 | 157.5 | -75.7 | -174.2 | 175.2 | -179.5 | 0.6 | 121.4 | ||||
| 1234 | Q | 26 | Very low | 29.2 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | 73.9 | 147.4 | 124.7 | -67.5 | 179.8 | -68.5 | 0 | 0 | 123.4 | |||||
| 1235 | S | 25.3 | Very low | 29.1 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | trans | 81 | 167 | 155.3 | 76.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1236 | S | 25.2 | Very low | 29 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -134.8 | 163.5 | -142.6 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1237 | S | 27.1 | Very low | 28.5 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 57.9 | 114.5 | 152.3 | 57.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1238 | Y | 26.6 | Very low | 28.3 | Very low | 234 Ų | 234 | 137.6 Ų | 137.6 | 92% | 0.918 | 75% | 0.753 | S | S | * | * | trans | -139.6 | 156 | 130.8 | -107.8 | -78.9 | 0 | 0 | 0 | 110.9 | ||||
| 1239 | S | 23.5 | Very low | 27.8 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -121.5 | 167.5 | 174.7 | 174 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1240 | L | 26.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | 163.4 | 138.6 | 122.6 | -86.2 | 164.1 | 0 | 0 | 0 | 114.2 | |||||
| 1241 | R | 26.3 | Very low | 27.4 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | 69.2 | 148.4 | 149 | -68.4 | 167.7 | -173.7 | -162.5 | 1.6 | 116.9 | ||||
| 1242 | S | 29.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | cis | -163.8 | 162.1 | 5.7 | 23.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1243 | S | 30.5 | Very low | 27.5 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | -176.2 | 160.6 | -15.7 | -91 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1244 | T | 29.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 64.5 | 154.2 | 162.9 | 54.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1245 | K | 30 | Very low | 27.7 | Very low | 174 Ų | 174 | 128 Ų | 128 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | cis | -159.4 | 156.9 | -2.7 | -122.1 | 168.9 | 176.7 | -177.4 | 0 | 110.8 | ||||
| 1246 | L | 27.9 | Very low | 27.8 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | 49.1 | 96.5 | 145.9 | -66.1 | 162.1 | 0 | 0 | 0 | 122.2 | ||||
| 1247 | S | 24.1 | Very low | 28.2 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | 44.6 | 145.4 | 107.1 | 69.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1248 | V | 26.6 | Very low | 28.3 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | 108.1 | 118.7 | 149 | -175.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1249 | A | 27 | Very low | 28.5 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | 69.4 | 134.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1250 | S | 28.9 | Very low | 28.9 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 52.3 | 115.2 | 139.8 | 59.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1251 | N | 26.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | 0.5 | 138.6 | 133.9 | -68.3 | -8.3 | 0 | 0 | 0 | 117.7 | ||||
| 1252 | P | 33.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | -150.8 | 152.7 | 71.5 | 38.6 | -19.4 | 0 | 0 | 0 | 120 | |||||
| 1253 | V | 27.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | trans | 59.5 | 113.6 | 137.7 | -178.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1254 | S | 24.9 | Very low | 29 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 10 | 143.6 | 133.3 | -45 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1255 | P | 34.5 | Very low | 28.8 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | -152.9 | -170.9 | 70.8 | 39.4 | -19.3 | 0 | 0 | 0 | 115.8 | |||||
| 1256 | S | 28 | Very low | 28.6 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | -170.4 | -165.8 | -52.1 | 71.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1257 | V | 32.7 | Very low | 28.6 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | 77.8 | 133.4 | 171 | -165.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1258 | R | 29.7 | Very low | 28.7 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -136.6 | 125.5 | 13 | -132.4 | 142.7 | -137.3 | -138.5 | 7.2 | 109.9 | ||||
| 1259 | R | 31.7 | Very low | 28.6 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | 61.8 | 139.6 | 108.8 | -62 | -175.8 | -173.4 | 170.1 | -2.7 | 115.9 | |||||
| 1260 | K | 30.7 | Very low | 28.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | cis | -156 | 176 | -0.3 | -120.1 | 175.2 | 160.4 | -80 | 0 | 106.3 | ||||
| 1261 | D | 30.6 | Very low | 28.7 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | cis | -137.8 | -141.4 | 11.5 | -140.9 | -31.8 | 0 | 0 | 0 | 113.9 | ||||
| 1262 | A | 29.3 | Very low | 28.6 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -143.7 | 163.8 | -158.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1263 | N | 26.6 | Very low | 28.3 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -87.4 | 157.2 | 158.6 | -74.4 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 1264 | D | 28.4 | Very low | 28 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -160.8 | 178.5 | 131.2 | -124.2 | -27.2 | 0 | 0 | 0 | 116.1 | ||||
| 1265 | M | 26.3 | Very low | 28.6 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | trans | -75.6 | 163.6 | -159.5 | -66.5 | 178.1 | 87.6 | 0 | 0 | 120.6 | ||||
| 1266 | L | 25.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 139 Ų | 139 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | trans | 60.3 | 107.7 | 141.9 | -73.8 | 164.9 | 0 | 0 | 0 | 122.2 | ||||
| 1267 | D | 27.4 | Very low | 27.9 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | -171.4 | 124.2 | 101.6 | -118.6 | 13.3 | 0 | 0 | 0 | 109.1 | |||||
| 1268 | R | 27.1 | Very low | 27.5 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | 93.2 | 104.7 | 76.6 | -86.1 | -169.7 | -179.1 | 164.1 | -1.4 | 116.6 | |||||
| 1269 | S | 24.4 | Very low | 27.4 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 84.7 | 154.6 | 134.2 | -54.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1270 | V | 29.6 | Very low | 27 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | 72.3 | 121.5 | 169.7 | -171.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1271 | E | 27.4 | Very low | 26.8 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | cis | -147.6 | 170.2 | -8 | -131.3 | -163.9 | 142.5 | 0 | 0 | 114.4 | K1273 | E1271-K1273 IonicContact OE1-NZ 2.65Š| ||
| 1272 | Q | 25 | Very low | 26.4 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 150.6 | -178.5 | -48.9 | 158.9 | -5.4 | 0 | 0 | 113.7 | ||||
| 1273 | K | 27.2 | Very low | 26.1 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | 174.5 | 156.7 | 96.1 | -102.3 | 128.3 | -168.4 | 145.7 | 0 | 114.5 | E1271 | E1271-K1273 IonicContact OE1-NZ 2.65Š| |||
| 1274 | S | 22.1 | Very low | 26 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -151.1 | -179.6 | 164.3 | 70.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1275 | P | 36.8 | Very low | 26 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -131.5 | -167.7 | -12.5 | 40.1 | -22.7 | 0 | 0 | 0 | 113.3 | ||||
| 1276 | S | 23.3 | Very low | 26.1 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | 66.3 | 145.8 | 165.6 | 53.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1277 | D | 24.1 | Very low | 26.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | cis | -155.4 | 166.9 | 28.4 | -139.5 | -4.9 | 0 | 0 | 0 | 114.7 | ||||
| 1278 | I | 24.8 | Very low | 26.2 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 36.6 | 116.7 | 155.7 | -57.4 | 151.6 | 0 | 0 | 0 | 120.9 | ||||
| 1279 | A | 27.4 | Very low | 26.5 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -166.2 | 159.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1280 | S | 24.2 | Very low | 26.7 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -117 | 153.3 | -164.2 | 56.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1281 | A | 25.2 | Very low | 26.7 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | 86.4 | 129 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1282 | C | 22.2 | Very low | 26.8 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | 89.4 | 122.7 | 130.1 | -81.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1283 | M | 22.8 | Very low | 27.1 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | 77.2 | 86 | 132.8 | -62.6 | -64.8 | 177.9 | 0 | 0 | 121.1 | ||||
| 1284 | R | 24.8 | Very low | 27.1 | Very low | 241 Ų | 241 | 132.5 Ų | 132.5 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | -173.3 | 156.6 | 125.4 | -88.5 | 138.3 | -155.9 | -128.9 | 3.3 | 107 | |||||
| 1285 | T | 29 | Very low | 27.4 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | -129.5 | 169.9 | 20 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1286 | P | 28 | Very low | 27 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | trans | -84.8 | -167.4 | 156.5 | 38.2 | -35.6 | 0 | 0 | 0 | 112.2 | ||||
| 1287 | D | 26.9 | Very low | 27.1 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 77.9 | 95 | 159.7 | -53 | -27.2 | 0 | 0 | 0 | 120.5 | ||||
| 1288 | R | 27 | Very low | 27.3 | Very low | 239 Ų | 239 | 142.4 Ų | 142.4 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -67.1 | 163.3 | 142.6 | -90.8 | -178.1 | 172.4 | -160 | -2.6 | 109.3 | ||||
| 1289 | P | 35.2 | Very low | 27.4 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | -161.5 | 174.4 | 51.3 | 45.4 | -23.4 | 0 | 0 | 0 | 121.6 | |||||
| 1290 | I | 28.1 | Very low | 27.5 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 64.2 | 109.5 | 148.6 | -66.9 | 153.4 | 0 | 0 | 0 | 119.9 | A1292 | I1290-A1292 HydrophobicContact CG2-CB 4.1Š| ||
| 1291 | L | 29.8 | Very low | 27.7 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | -121.3 | 159.4 | 104.3 | -76.3 | 170.1 | 0 | 0 | 0 | 107.5 | |||||
| 1292 | A | 29.8 | Very low | 28 | Very low | 63 Ų | 63 | 150.6 Ų | 150.6 | 52% | 0.521 | 79% | 0.787 | S | S | . | * | cis | 161.8 | 83.6 | -35.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | I1290 | I1290-A1292 HydrophobicContact CG2-CB 4.1Š| ||
| 1293 | N | 29.7 | Very low | 28.4 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 95% | 0.952 | 79% | 0.785 | S | S | * | * | trans | 170 | 131.3 | 162.4 | -86.9 | -24.1 | 0 | 0 | 0 | 105.8 | ||||
| 1294 | G | 28.1 | Very low | 28.8 | Very low | 70 Ų | 70 | 146.9 Ų | 146.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | 135.5 | 131.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1295 | C | 28.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | cis | -164 | 154.4 | -6.8 | -133.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1296 | V | 28.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 56.4 | 128.5 | 152.8 | 178.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1297 | R | 24.8 | Very low | 29.2 | Very low | 224 Ų | 224 | 150.1 Ų | 150.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | 84.6 | 133.7 | 33.5 | -86.3 | -172.7 | 166.4 | -178.7 | -3.6 | 118.4 | ||||
| 1298 | K | 29 | Very low | 29.2 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 83.2 | 158.5 | 164.4 | -61.6 | 177.5 | -179.9 | -179.4 | 0 | 118.7 | ||||
| 1299 | S | 26.4 | Very low | 29.3 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | -179.5 | 131.9 | -55 | 49.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1300 | S | 29 | Very low | 28.8 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 77.9 | 148.6 | 137.8 | 78 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1301 | R | 29.5 | Very low | 28.6 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | 77.2 | 150.2 | 161.3 | -65 | 169.6 | 175.1 | 177.3 | -2.2 | 117.8 | ||||
| 1302 | K | 31.1 | Very low | 28.5 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | cis | -130 | -143.9 | 2.3 | -143.3 | -159.3 | 176.9 | -176 | 0 | 114.5 | ||||
| 1303 | S | 29.1 | Very low | 28.4 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -158.9 | 144.8 | -149 | 60.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1304 | A | 31.3 | Very low | 28.7 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -156.1 | 122.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1305 | K | 30.8 | Very low | 28.6 | Very low | 208 Ų | 208 | 154.5 Ų | 154.5 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | 79.7 | 139.4 | 85 | -85.3 | -169.8 | 174.5 | -174.1 | 0 | 114.7 | |||||
| 1306 | S | 30.9 | Very low | 28.5 | Very low | 92 Ų | 92 | 154.9 Ų | 154.9 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -170.6 | 152.7 | -3 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1307 | R | 29.9 | Very low | 28.3 | Very low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | 56.5 | 150.3 | 161.4 | -72.1 | 173.1 | 175.7 | 174.4 | -5.8 | 118.6 | ||||
| 1308 | R | 26.2 | Very low | 28.6 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | cis | 98.1 | 114.7 | 19.8 | -87 | -163.1 | 179.6 | -153.5 | 14.7 | 117.2 | ||||
| 1309 | Q | 28.2 | Very low | 28.6 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | 77.4 | 129.9 | 140.4 | -76 | 176 | -84.5 | 0 | 0 | 123.3 | ||||
| 1310 | S | 24.6 | Very low | 28.9 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 72.6 | 132.2 | 138.1 | 54.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1311 | D | 25 | Very low | 29 | Very low | 154 Ų | 154 | 158.5 Ų | 158.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 61.1 | 114.6 | 145 | -48.2 | -21.7 | 0 | 0 | 0 | 120.7 | ||||
| 1312 | D | 27.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | -158.3 | 161.9 | 103.4 | -137.7 | -29.5 | 0 | 0 | 0 | 112.5 | |||||
| 1313 | V | 28.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | trans | -137.8 | 119.2 | -179.2 | 174 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1314 | P | 35.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -104.6 | 111.6 | 162.2 | 0.4 | 20.7 | 0 | 0 | 0 | 113.4 | ||||
| 1315 | R | 26.5 | Very low | 29.1 | Very low | 212 Ų | 212 | 155.5 Ų | 155.5 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -53.7 | 165.3 | 147.2 | -76.4 | 176 | 173.6 | 172.8 | -2.1 | 111.1 | ||||
| 1316 | N | 25.4 | Very low | 29 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | cis | -168.5 | 162.5 | -2.5 | -118.7 | -5 | 0 | 0 | 0 | 112.5 | ||||
| 1317 | S | 26.2 | Very low | 28.9 | Very low | 80 Ų | 80 | 152 Ų | 152 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | trans | 53.7 | 138.8 | 138.2 | 74.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1318 | T | 31.4 | Very low | 28.8 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | -174 | 165.1 | 109 | 25.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1319 | L | 29.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | -172.9 | 165.5 | -60.5 | -114.2 | 169.8 | 0 | 0 | 0 | 109.3 | |||||
| 1320 | R | 31 | Very low | 28.7 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | 92.3 | 134.8 | -179 | -60.6 | 174 | 172.5 | -168.3 | -3 | 113.4 | ||||
| 1321 | R | 31.9 | Very low | 29 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | cis | -154.3 | 165.6 | 9.8 | -113.8 | 177.7 | 172.9 | 163.9 | -3.4 | 107 | ||||
| 1322 | S | 30.9 | Very low | 29.1 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | 173.5 | 155 | -21.8 | 47.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1323 | S | 33 | Very low | 29.2 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | -179 | -177.7 | -20.9 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1324 | R | 30.1 | Very low | 29.4 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | 94.8 | 116.4 | 163.5 | -64.7 | -176.8 | 172.5 | -165.6 | -2.6 | 120.6 | ||||
| 1325 | L | 29.7 | Very low | 29.1 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 63.4 | 144.5 | 124.7 | -58 | 171.3 | 0 | 0 | 0 | 120.4 | |||||
| 1326 | S | 27.5 | Very low | 29.3 | Very low | 86 Ų | 86 | 138 Ų | 138 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | cis | -171.2 | 158.6 | -12 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1327 | T | 29.3 | Very low | 29.6 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | 67.7 | 168.2 | 150.6 | 43.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1328 | S | 27.1 | Very low | 29.9 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -155 | 172.1 | -162.6 | 52.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1329 | V | 28.2 | Very low | 30 | Very low | 129 Ų | 129 | 140 Ų | 140 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | 110.5 | 125.9 | 158.6 | -179.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1330 | S | 25.1 | Very low | 30.1 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 91.5 | 153.8 | 148.4 | 72.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1331 | H | 30.4 | Very low | 30.3 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | trans | 70.1 | 114.3 | 166.4 | -75.1 | -80.9 | 0 | 0 | 0 | 123 | ||||
| 1332 | E | 26.3 | Very low | 30.4 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | 42.2 | 149.3 | 126.3 | -65.6 | 176.8 | 127.3 | 0 | 0 | 124 | |||||
| 1333 | S | 30 | Very low | 30.3 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -75.1 | 163.2 | 166.3 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1334 | P | 33.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | cis | -148.4 | 175.1 | 30.2 | 42.9 | -22.5 | 0 | 0 | 0 | 119.4 | ||||
| 1335 | H | 29.2 | Very low | 30.7 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 44.1 | 114.7 | 147.8 | -70.3 | -58 | 0 | 0 | 0 | 122.6 | ||||
| 1336 | S | 29.9 | Very low | 30.7 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 61.3 | 143.5 | 134.4 | 58.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1337 | L | 31.3 | Very low | 31 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | cis | -164 | 136 | 1.1 | -112.3 | 165 | 0 | 0 | 0 | 110.9 | ||||
| 1338 | N | 32.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 39 | 156.8 | 144.6 | -65.1 | 4 | 0 | 0 | 0 | 126 | ||||
| 1339 | S | 33.5 | Very low | 31.4 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 72.8 | 150.9 | 149.8 | 35.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1340 | T | 31.4 | Very low | 31.4 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | cis | -162.9 | 169.7 | -2.2 | 18.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1341 | P | 35 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -62.2 | 158.4 | 160.6 | 28.2 | -35.1 | 0 | 0 | 0 | 112.5 | ||||
| 1342 | P | 34.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -100.5 | 154.2 | -162.8 | 37.9 | -36.1 | 0 | 0 | 0 | 115.8 | ||||
| 1343 | L | 29.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 170.5 | 81.1 | 153 | -94.3 | 163.1 | 0 | 0 | 0 | 107.7 | ||||
| 1344 | T | 33 | Very low | 31.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | 57.7 | 139.6 | 101.4 | 60.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1345 | P | 37.1 | Very low | 31.1 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -142.9 | -166.9 | -26.5 | 40.2 | -20.7 | 0 | 0 | 0 | 114.7 | ||||
| 1346 | M | 31.4 | Very low | 31 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 87.6 | 114.7 | 156.8 | -73.7 | -74.8 | 110.4 | 0 | 0 | 122.4 | ||||
| 1347 | R | 33.2 | Very low | 30.8 | Very low | 238 Ų | 238 | 143.2 Ų | 143.2 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | 66.9 | 145.2 | 149.7 | -58.8 | 179.9 | 179.6 | -154 | -1.5 | 119.1 | ||||
| 1348 | G | 30.9 | Very low | 30.8 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | cis | 157.6 | 135 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1349 | A | 33.9 | Very low | 30.7 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 63.8 | 135.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1350 | S | 27.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | 93 | 95.5 | 15.8 | 88.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1351 | R | 32.1 | Very low | 30.9 | Very low | 255 Ų | 255 | 146.4 Ų | 146.4 | 96% | 0.962 | 76% | 0.764 | S | S | * | * | trans | 172.6 | 143.6 | 149.1 | -93.3 | 153.3 | -170.4 | -164 | 4.1 | 107.2 | ||||
| 1352 | G | 26.5 | Very low | 30.6 | Very low | 67 Ų | 67 | 145.1 Ų | 145.1 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | cis | 126.6 | 127.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1353 | R | 27.5 | Very low | 30.5 | Very low | 234 Ų | 234 | 144.6 Ų | 144.6 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | 79.9 | 135.4 | 168.1 | -75.3 | -173.3 | 177.7 | -170.5 | -0 | 120.2 | ||||
| 1354 | L | 28 | Very low | 30.8 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | 67.2 | 150.3 | 147.3 | -62 | 160.9 | 0 | 0 | 0 | 118.4 | ||||
| 1355 | S | 24.5 | Very low | 31 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 50% | 0.503 | 73% | 0.73 | S | S | . | * | cis | 167.4 | 153.2 | -38.4 | 56.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1356 | R | 27.3 | Very low | 31.1 | Very low | 223 Ų | 223 | 140.5 Ų | 140.5 | 84% | 0.842 | 72% | 0.715 | S | S | * | * | trans | 71.3 | 152.1 | 174.8 | -47.4 | 163.8 | 179.6 | 172.8 | -1.1 | 111.1 | ||||
| 1357 | R | 26.8 | Very low | 31.3 | Very low | 217 Ų | 217 | 139.5 Ų | 139.5 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | cis | -158 | 159.6 | 6.3 | -140.5 | 170.8 | -169.3 | 176.6 | 0.2 | 110.2 | ||||
| 1358 | L | 30.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | 89.5 | 157 | 156.3 | -61.5 | 159.4 | 0 | 0 | 0 | 120 | ||||
| 1359 | S | 31.3 | Very low | 31 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | trans | 75.4 | 125.4 | 170.7 | -60.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1360 | R | 32.3 | Very low | 31 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | trans | -72.6 | 141.6 | 174.7 | -72.5 | 166.2 | -176.5 | 151.8 | -1.5 | 109.1 | ||||
| 1361 | K | 35.6 | Very low | 31.4 | Very low | 130 Ų | 130 | 140 Ų | 140 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | 72.7 | 94.4 | 76.1 | -145.9 | -167.5 | -170 | -125.7 | 0 | 112.5 | E1363 Q1368 | K1361-E1363 VanDerWaalsContact CD-OE2 3.24Å; K1361-E1363 WeakPolarHBondContact CD-OE2 3.5Å; K1361-E1363 WeakPolarHBondContact CE-OE2 3.49Å; K1361-E1363 WeakPolarHBondContact CG-OE2 3.28Å; K1361-E1363 IonicContact NZ-OE1 2.69Å; K1361-E1363 PolarHBondContact NZ-OE1 2.86Å; K1361-E1363 IonicContact NZ-OE2 2.67Å; K1361-E1363 PolarHBondContact NZ-OE2 3.41Å; K1361-Q1368 VanDerWaalsContact O-CD 3.26Å; K1361-Q1368 PolarHBondContact O-NE2 3.03Å; K1361-Q1368 VanDerWaalsContact O-NE2 3.16Å | |||
| 1362 | L | 29.1 | Very low | 31.7 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | trans | -140.5 | 132.5 | 167.7 | -77.5 | 158.7 | 0 | 0 | 0 | 105.2 | F1364 D1366 | L1362-F1364 HydrophobicContact CB-CD2 4.31Å; L1362-F1364 HydrophobicContact CD1-CD2 3.98Å; L1362-F1364 HydrophobicContact CD1-CE2 3.86Å; L1362-F1364 HydrophobicContact CD2-CB 4.45Å; L1362-F1364 HydrophobicContact CD2-CD2 3.85Å; L1362-F1364 HydrophobicContact CD2-CE2 4.21Å; L1362-F1364 HydrophobicContact CD2-CG 4.02Å; L1362-F1364 HydrophobicContact CG-CD2 4.28Å; L1362-D1366 VanDerWaalsContact CD2-C 3.42Å; L1362-D1366 WeakPolarHBondContact CD2-O 3.43Å | ||
| 1363 | E | 33.4 | Very low | 31.9 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | cis | 61.7 | 36.7 | -6.5 | -62.6 | 175 | 136.2 | 0 | 0 | 115.4 | K1361 G1365 D1366 | K1361-E1363 VanDerWaalsContact CD-OE2 3.24Å; K1361-E1363 WeakPolarHBondContact CD-OE2 3.5Å; K1361-E1363 WeakPolarHBondContact CE-OE2 3.49Å; K1361-E1363 WeakPolarHBondContact CG-OE2 3.28Å; K1361-E1363 IonicContact NZ-OE1 2.69Å; K1361-E1363 PolarHBondContact NZ-OE1 2.86Å; K1361-E1363 IonicContact NZ-OE2 2.67Å; K1361-E1363 PolarHBondContact NZ-OE2 3.41Å; E1363-G1365 CarbonylContact O-C 3.02Å; E1363-D1366 PolarHBondContact O-N 3.42Å; E1363-D1366 VanDerWaalsContact O-N 3.17Å | ||
| 1364 | F | 34.3 | Very low | 32.2 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -61.7 | 131.6 | 153.9 | -105.1 | -74.7 | 0 | 0 | 0 | 108.4 | L1362 D1366 | L1362-F1364 HydrophobicContact CB-CD2 4.31Å; L1362-F1364 HydrophobicContact CD1-CD2 3.98Å; L1362-F1364 HydrophobicContact CD1-CE2 3.86Å; L1362-F1364 HydrophobicContact CD2-CB 4.45Å; L1362-F1364 HydrophobicContact CD2-CD2 3.85Å; L1362-F1364 HydrophobicContact CD2-CE2 4.21Å; L1362-F1364 HydrophobicContact CD2-CG 4.02Å; L1362-F1364 HydrophobicContact CG-CD2 4.28Å; F1364-D1366 WeakPolarHBondContact CD1-OD2 3.07Å; F1364-D1366 VanDerWaalsContact CE1-CG 3.5Å; F1364-D1366 WeakPolarHBondContact CE1-OD1 3.16Å; F1364-D1366 VanDerWaalsContact CE1-OD2 3.25Å; F1364-D1366 WeakPolarHBondContact CE1-OD2 3.24Å |
| 1365 | G | 38.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | S | Bend | cis | -84 | 139.3 | -12.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1363 | E1363-G1365 CarbonylContact O-C 3.02Š|
| 1366 | D | 39.3 | Very low | 33.2 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 40% | 0.401 | 66% | 0.663 | S | S | . | * | cis | -154.3 | -125 | -10.8 | -136.4 | -68.3 | 0 | 0 | 0 | 108.5 | L1362 E1363 F1364 | L1362-D1366 VanDerWaalsContact CD2-C 3.42Å; L1362-D1366 WeakPolarHBondContact CD2-O 3.43Å; E1363-D1366 PolarHBondContact O-N 3.42Å; E1363-D1366 VanDerWaalsContact O-N 3.17Å; F1364-D1366 WeakPolarHBondContact CD1-OD2 3.07Å; F1364-D1366 VanDerWaalsContact CE1-CG 3.5Å; F1364-D1366 WeakPolarHBondContact CE1-OD1 3.16Å; F1364-D1366 VanDerWaalsContact CE1-OD2 3.25Å; F1364-D1366 WeakPolarHBondContact CE1-OD2 3.24Å | ||
| 1367 | D | 34.7 | Very low | 33.1 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | trans | 76.2 | -169.7 | 152.6 | -29.1 | -58.5 | 0 | 0 | 0 | 113.5 | ||||
| 1368 | Q | 33.1 | Very low | 33.5 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 33% | 0.327 | 65% | 0.648 | S | S | . | * | cis | -148 | 165.4 | 33.5 | -70.9 | 177.7 | 10.9 | 0 | 0 | 112.3 | K1361 | K1361-Q1368 VanDerWaalsContact O-CD 3.26Å; K1361-Q1368 PolarHBondContact O-NE2 3.03Å; K1361-Q1368 VanDerWaalsContact O-NE2 3.16Å | ||
| 1369 | I | 25.5 | Very low | 33.4 | Very low | 133 Ų | 133 | 114.6 Ų | 114.6 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | trans | 81.3 | 111.8 | -151.5 | -54.6 | 161.7 | 0 | 0 | 0 | 107 | ||||
| 1370 | E | 33.8 | Very low | 33.2 | Very low | 161 Ų | 161 | 113.7 Ų | 113.7 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | cis | -96.8 | 137 | 38.3 | -61 | -152.6 | 105.5 | 0 | 0 | 115.6 | ||||
| 1371 | Q | 36.2 | Very low | 33.3 | Very low | 155 Ų | 155 | 112.6 Ų | 112.6 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | 98.8 | -179.6 | 97 | -80.4 | -164.3 | 55.4 | 0 | 0 | 113.6 | |||||
| 1372 | S | 37.3 | Very low | 33.1 | Very low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | -67.7 | 166.5 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1373 | G | 30 | Very low | 32.9 | Very low | 59 Ų | 59 | 111.4 Ų | 111.4 | 61% | 0.608 | 65% | 0.651 | S | S | * | * | cis | 94.1 | 101.6 | 19.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1374 | L | 34.4 | Very low | 32.8 | Very low | 169 Ų | 169 | 112 Ų | 112 | 89% | 0.885 | 66% | 0.662 | S | S | * | * | trans | 65 | 146.5 | -155.8 | -46.9 | 167.6 | 0 | 0 | 0 | 110.8 | ||||
| 1375 | S | 36 | Very low | 32.4 | Very low | 95 Ų | 95 | 111.3 Ų | 111.3 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | cis | -165.1 | -172.6 | -15.9 | 48.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1376 | S | 36.7 | Very low | 31.9 | Very low | 82 Ų | 82 | 113 Ų | 113 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | trans | 32.5 | 111.6 | 144.6 | 61 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1377 | S | 26.5 | Very low | 31.2 | Very low | 100 Ų | 100 | 114 Ų | 114 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | 48.4 | 134.7 | 67.9 | 86.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1378 | A | 34 | Very low | 31 | Very low | 77 Ų | 77 | 115 Ų | 115 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | 68.2 | 137.7 | -156.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1379 | N | 28.3 | Very low | 30.9 | Very low | 156 Ų | 156 | 120.1 Ų | 120.1 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | S | Bend | cis | -59.7 | 152.2 | 1.4 | -69.9 | 23.3 | 0 | 0 | 0 | 114.8 | ||
| 1380 | D | 27.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 54% | 0.54 | 70% | 0.698 | S | S | . | * | cis | -163.2 | 171.6 | -34.9 | -140.7 | -43.3 | 0 | 0 | 0 | 109.1 | ||||
| 1381 | H | 34.4 | Very low | 31.2 | Very low | 148 Ų | 148 | 117.2 Ų | 117.2 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | 62.6 | 106.2 | 160.1 | -56.5 | -7.1 | 0 | 0 | 0 | 115.7 | ||||
| 1382 | S | 32.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 115.7 Ų | 115.7 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | 91.3 | 148.4 | 99.4 | 81.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1383 | S | 23.3 | Very low | 30.4 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | cis | 58.8 | 148.7 | 36.9 | 80.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1384 | V | 31.4 | Very low | 30.4 | Very low | 119 Ų | 119 | 118 Ų | 118 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | 67.8 | 99.8 | -170.2 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1385 | I | 26.5 | Very low | 30.2 | Very low | 145 Ų | 145 | 115 Ų | 115 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | 84.1 | 135.9 | 66.7 | -69.1 | 162.2 | 0 | 0 | 0 | 112.4 | |||||
| 1386 | C | 28.5 | Very low | 29.8 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | trans | 68.3 | 139 | -179.6 | -63.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1387 | S | 25.5 | Very low | 29.4 | Very low | 97 Ų | 97 | 117 Ų | 117 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | cis | 66.6 | 142.4 | 40.3 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1388 | E | 29.3 | Very low | 29.4 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -127.6 | 178.3 | 21.3 | -59.3 | 174.5 | 121.8 | 0 | 0 | 110 | ||||
| 1389 | Q | 31.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | cis | -138.1 | 125.8 | 27.5 | -72 | -178.2 | -0.4 | 0 | 0 | 110.1 | ||||
| 1390 | N | 31.6 | Very low | 28.6 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 93.9 | 84.2 | 70.8 | -70 | -16.2 | 0 | 0 | 0 | 113.7 | |||||
| 1391 | S | 33.1 | Very low | 28.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -153.4 | 140.8 | 145.6 | -78.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1392 | P | 30.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -94.4 | 127.5 | -142.2 | -12.4 | 31.8 | 0 | 0 | 0 | 117.5 | ||||
| 1393 | S | 27.9 | Very low | 27.5 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 38.6 | 123.6 | 131.1 | 61.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1394 | S | 29 | Very low | 27.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 67.2 | 142.3 | 142 | 58.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1395 | S | 29.9 | Very low | 27.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | cis | -166.2 | 161 | 1.9 | 34.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1396 | V | 28.4 | Very low | 27.8 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | cis | -161.6 | 156.5 | -15.9 | 131.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1397 | G | 28.4 | Very low | 27.7 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 116.5 | 109.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1398 | R | 26.2 | Very low | 27.8 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -146.5 | 74.3 | 163.4 | -166.6 | -172.6 | -171.6 | -167.2 | 3 | 110.5 | ||||
| 1399 | L | 24.1 | Very low | 27.6 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -147.1 | 167.1 | 164.6 | -87.7 | 174.4 | 0 | 0 | 0 | 107.3 | ||||
| 1400 | E | 22.6 | Very low | 27.5 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 74.2 | 129.8 | 175.9 | -61.4 | 177.6 | 167 | 0 | 0 | 118.3 | ||||
| 1401 | E | 22.5 | Very low | 27.2 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 53.9 | 143.7 | 143.8 | -60.6 | -161.6 | 138.4 | 0 | 0 | 127.1 | ||||
| 1402 | E | 24.1 | Very low | 27 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 77.3 | 137.4 | 137.8 | -81.9 | -107.3 | 107.1 | 0 | 0 | 125.1 | ||||
| 1403 | A | 24.6 | Very low | 27.4 | Very low | 69 Ų | 69 | 149.2 Ų | 149.2 | 57% | 0.57 | 79% | 0.792 | S | S | * | * | trans | 63.3 | 93.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1404 | V | 27.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 153.6 Ų | 153.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | 50.2 | 126.8 | 108.5 | 176.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1405 | S | 29.3 | Very low | 27.8 | Very low | 97 Ų | 97 | 155.6 Ų | 155.6 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 99.3 | 96.3 | 147.9 | -84.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 1406 | T | 28.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 158.2 Ų | 158.2 | 64% | 0.644 | 80% | 0.796 | S | S | * | * | 86.1 | 104.7 | 121.3 | 57.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1407 | K | 26.4 | Very low | 28 | Very low | 176 Ų | 176 | 159.9 Ų | 159.9 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | 78.1 | 113.5 | 117.3 | -70.9 | 172.4 | 179.8 | 168 | 0 | 120.9 | |||||
| 1408 | K | 28 | Very low | 27.9 | Very low | 178 Ų | 178 | 161 Ų | 161 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | 77.3 | 114.8 | 131.6 | -64.9 | 177.2 | 176.7 | -177.6 | 0 | 119.4 | ||||
| 1409 | K | 25.1 | Very low | 28 | Very low | 202 Ų | 202 | 155.6 Ų | 155.6 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | -146.5 | 121.2 | 90.4 | -93.7 | 163.6 | -176.3 | 176.8 | 0 | 108.4 | |||||
| 1410 | K | 28.8 | Very low | 28.2 | Very low | 194 Ų | 194 | 155 Ų | 155 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | 58.6 | 108.3 | 87.5 | -90 | -161.9 | 170 | -167.6 | 0 | 113.5 | |||||
| 1411 | R | 25.6 | Very low | 28.6 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 133.2 | 149.3 | -92.5 | -175.4 | 169 | 179 | -3.3 | 109 | ||
| 1412 | T | 28.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80 | 164 | 156.2 | 30.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1413 | P | 38.1 | Very low | 28.9 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -78 | 142.3 | -165.1 | 29.1 | -35.2 | 0 | 0 | 0 | 115.3 | ||
| 1414 | K | 32.4 | Very low | 29.2 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | 51.2 | 96.5 | 151.6 | -61.7 | -173.5 | 176.3 | -175.8 | 0 | 119.8 | ||||
| 1415 | Q | 33.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | 29.4 | 139.9 | 106.9 | -77.1 | 175.2 | -82.3 | 0 | 0 | 119.2 | |||||
| 1416 | Q | 31.3 | Very low | 29.7 | Very low | 161 Ų | 161 | 158.9 Ų | 158.9 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | cis | -165.6 | -173.5 | -4.2 | -145.1 | 165.1 | -29.2 | 0 | 0 | 111 | ||||
| 1417 | Q | 30.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 76.6 | 138.6 | 179.3 | -61.8 | -176.2 | -5.2 | 0 | 0 | 116.2 | ||||
| 1418 | S | 27.5 | Very low | 29.8 | Very low | 96 Ų | 96 | 158.3 Ų | 158.3 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | cis | -172.3 | 121.1 | -39.4 | 35.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1419 | T | 27.9 | Very low | 29.6 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -175.8 | 128.8 | 136.3 | 15.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1420 | D | 28.8 | Very low | 29.7 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 28.1 | 110.5 | 157.9 | -52 | -29.1 | 0 | 0 | 0 | 120.7 | ||||
| 1421 | S | 29.4 | Very low | 29.6 | Very low | 119 Ų | 119 | 159.9 Ų | 159.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 126.8 | 173.9 | -63.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1422 | A | 29.4 | Very low | 29.6 | Very low | 102 Ų | 102 | 160.6 Ų | 160.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 76.8 | 126.3 | 59 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1423 | N | 25.5 | Very low | 29.7 | Very low | 143 Ų | 143 | 164.8 Ų | 164.8 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -136 | 138.4 | -169.1 | -179.4 | -6.4 | 0 | 0 | 0 | 110.8 | ||||
| 1424 | R | 30.9 | Very low | 29.4 | Very low | 174 Ų | 174 | 165.5 Ų | 165.5 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | 118 | 126.5 | 151 | -66.2 | 179 | 169.2 | 154.8 | 0.8 | 117 | R1426 | R1424-R1426 HydrophobicContact CB-CG 4.46Š| ||
| 1425 | Q | 27.2 | Very low | 29.3 | Very low | 190 Ų | 190 | 164 Ų | 164 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | -138.3 | 116.8 | 94.8 | -65.7 | -169.1 | -1.7 | 0 | 0 | 106.9 | |||||
| 1426 | R | 40.7 | Very low | 29.3 | Very low | 194 Ų | 194 | 161.4 Ų | 161.4 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | 62.5 | 145.4 | 76.6 | -76.7 | -173.1 | 171.1 | -177 | 0.8 | 113.1 | R1424 | R1424-R1426 HydrophobicContact CB-CG 4.46Š| |||
| 1427 | P | 32.7 | Very low | 29.4 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | cis | -134.7 | 166.1 | 17.1 | 41.5 | -26.1 | 0 | 0 | 0 | 116.6 | ||||
| 1428 | L | 24.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | -165.4 | 145.2 | 121.2 | -106.6 | 168.9 | 0 | 0 | 0 | 113.4 | |||||
| 1429 | R | 23.8 | Very low | 29.8 | Very low | 208 Ų | 208 | 157.1 Ų | 157.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -27.9 | 138.6 | 155.8 | -71.8 | 164.9 | 168.3 | 178.8 | -5.4 | 112.4 | ||||
| 1430 | R | 25.7 | Very low | 29.8 | Very low | 213 Ų | 213 | 155.4 Ų | 155.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | -172.6 | -176.6 | 45.3 | -111 | 152.1 | 172.7 | 176.4 | -5.1 | 106.2 | ||||
| 1431 | K | 27 | Very low | 30 | Very low | 185 Ų | 185 | 155 Ų | 155 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | -155.1 | 140.9 | 9.3 | -128.1 | 163.4 | -176.4 | -176.8 | 0 | 105.4 | R1433 | K1431-R1433 PolarHBondContact O-N 3.37Š| ||
| 1432 | R | 25.3 | Very low | 29.9 | Very low | 253 Ų | 253 | 156.9 Ų | 156.9 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | trans | -86.4 | 90.4 | 169.4 | -162.9 | -176.4 | -163.7 | -172.6 | 5.9 | 109.3 | ||||
| 1433 | R | 31 | Very low | 29.9 | Very low | 216 Ų | 216 | 161.4 Ų | 161.4 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | 172.5 | 122.8 | 134.7 | -96.9 | -178.5 | 164.2 | 163.9 | -2.9 | 113.3 | K1431 | K1431-R1433 PolarHBondContact O-N 3.37Š| ||
| 1434 | I | 32.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 165.1 Ų | 165.1 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | 78.6 | 100.6 | 131.4 | -62.8 | 170.2 | 0 | 0 | 0 | 118.6 | ||||
| 1435 | L | 30.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 163.9 Ų | 163.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 85.8 | 137 | 138.7 | -66.6 | 172.7 | 0 | 0 | 0 | 123.8 | ||||
| 1436 | S | 32 | Very low | 29.8 | Very low | 100 Ų | 100 | 164.6 Ų | 164.6 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 66 | 104.1 | 147.7 | 51 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1437 | S | 34.1 | Very low | 29.2 | Very low | 97 Ų | 97 | 162.4 Ų | 162.4 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | 66.9 | 116.7 | 124.6 | 63.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1438 | N | 34.1 | Very low | 29 | Very low | 170 Ų | 170 | 162.3 Ų | 162.3 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | 58.5 | 145.3 | 126.2 | -55.2 | 6.2 | 0 | 0 | 0 | 122 | |||||
| 1439 | G | 31.8 | Very low | 29.2 | Very low | 80 Ų | 80 | 162.8 Ų | 162.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 133 | 136.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1440 | S | 28.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 163 Ų | 163 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -143.1 | 168.8 | -177.1 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1441 | D | 32 | Very low | 29.5 | Very low | 148 Ų | 148 | 160 Ų | 160 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 84.8 | 160 | 157.1 | -47.6 | -48 | 0 | 0 | 0 | 120 | ||||
| 1442 | D | 28.2 | Very low | 29.6 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -84.6 | 157.5 | -157.1 | -65.8 | -76.8 | 0 | 0 | 0 | 116 | ||||
| 1443 | E | 28.9 | Very low | 30.3 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | -162.6 | 179 | 120.6 | -121 | -167 | 164.8 | 0 | 0 | 114.9 | |||||
| 1444 | R | 26.4 | Very low | 30.4 | Very low | 222 Ų | 222 | 142 Ų | 142 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -120.1 | 131.5 | -179.7 | -57.4 | 172.9 | 179.9 | 171.1 | 0.2 | 111.8 | ||||
| 1445 | N | 28 | Very low | 30.2 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | 177.5 | 149.7 | 121.4 | -100.1 | -48.6 | 0 | 0 | 0 | 116.9 | |||||
| 1446 | R | 28.3 | Very low | 29.9 | Very low | 205 Ų | 205 | 137.6 Ų | 137.6 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | trans | 32 | 126.8 | 145.1 | -69.2 | -177 | -177.5 | 171.4 | 0.1 | 123.8 | ||||
| 1447 | E | 27.3 | Very low | 29.6 | Very low | 149 Ų | 149 | 139 Ų | 139 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | trans | 78.2 | 125.6 | 131.5 | -69.2 | -172 | 81.9 | 0 | 0 | 123 | ||||
| 1448 | N | 28.3 | Very low | 29.3 | Very low | 111 Ų | 111 | 142 Ų | 142 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | trans | 46.1 | 129.7 | 136 | -66.2 | -56.7 | 0 | 0 | 0 | 119.5 | ||||
| 1449 | K | 28.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | cis | -173.5 | 160.5 | 11.1 | -125.7 | 162 | -170.8 | 159.1 | 0 | 111.2 | ||||
| 1450 | R | 26.5 | Very low | 28.7 | Very low | 214 Ų | 214 | 143.9 Ų | 143.9 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | trans | 64 | 93.4 | 157.6 | -63.9 | 172.5 | 172.1 | 171.6 | -4.5 | 119 | ||||
| 1451 | K | 30.5 | Very low | 28.5 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 65% | 0.648 | 71% | 0.705 | S | S | * | * | -138.7 | 125.6 | 119.4 | -76.5 | -170.9 | -178.4 | 174.5 | 0 | 107.1 | E1457 | K1451-E1457 WeakPolarHBondContact O-CB 3.45Å; K1451-E1457 VanDerWaalsContact O-CD 3.29Å; K1451-E1457 VanDerWaalsContact O-CG 3.31Å; K1451-E1457 WeakPolarHBondContact O-CG 3.43Å | |||
| 1452 | C | 27.4 | Very low | 28.6 | Very low | 50 Ų | 50 | 143.4 Ų | 143.4 | 34% | 0.338 | 70% | 0.702 | S | S | . | * | cis | 56.5 | 60.3 | 8.3 | -49.8 | 0 | 0 | 0 | 0 | 113.3 | V1454 E1455 S1456 | C1452-V1454 PolarHBondContact O-N 2.65Å; C1452-E1455 WeakPolarHBondContact CA-OE2 3.35Å; C1452-E1455 VanDerWaalsContact CB-CD 3.42Å; C1452-E1455 HydrophobicContact CB-CG 3.96Å; C1452-E1455 WeakPolarHBondContact CB-OE1 3.27Å; C1452-E1455 PolarHBondContact SG-OE1 2.92Å; C1452-E1455 PolarHBondContact SG-OE2 3.16Å; C1452-S1456 WeakPolarHBondContact CA-OG 3.25Å; C1452-S1456 PolarHBondContact N-OG 3.11Å | ||
| 1453 | S | 40.5 | Very low | 28.6 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 54% | 0.538 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -57.6 | 6.2 | 167.1 | -38.6 | 0 | 0 | 0 | 0 | 115.5 | S1456 | S1453-S1456 WeakPolarHBondContact OG-CA 3.24Å; S1453-S1456 PolarHBondContact OG-O 3.39Å |
| 1454 | V | 33 | Very low | 28.3 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 90% | 0.903 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 55.5 | 41.5 | -155.8 | -155.1 | 0 | 0 | 0 | 0 | 113.3 | C1452 | C1452-V1454 PolarHBondContact O-N 2.65Š|
| 1455 | E | 28.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 64% | 0.64 | 69% | 0.692 | S | S | * | * | S | Bend | cis | -156 | 163.7 | 2.6 | -79.8 | -141.6 | -160.7 | 0 | 0 | 109.6 | C1452 | C1452-E1455 WeakPolarHBondContact CA-OE2 3.35Å; C1452-E1455 VanDerWaalsContact CB-CD 3.42Å; C1452-E1455 HydrophobicContact CB-CG 3.96Å; C1452-E1455 WeakPolarHBondContact CB-OE1 3.27Å; C1452-E1455 PolarHBondContact SG-OE1 2.92Å; C1452-E1455 PolarHBondContact SG-OE2 3.16Å |
| 1456 | S | 25.7 | Very low | 28.5 | Very low | 63 Ų | 63 | 130 Ų | 130 | 44% | 0.441 | 69% | 0.69 | S | S | . | * | cis | -145.9 | -163 | 0.8 | -137.6 | 0 | 0 | 0 | 0 | 111.4 | C1452 S1453 | C1452-S1456 WeakPolarHBondContact CA-OG 3.25Å; C1452-S1456 PolarHBondContact N-OG 3.11Å; S1453-S1456 WeakPolarHBondContact OG-CA 3.24Å; S1453-S1456 PolarHBondContact OG-O 3.39Å | ||
| 1457 | E | 24.4 | Very low | 28.5 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 60% | 0.603 | 69% | 0.693 | S | S | * | * | trans | -81.3 | 153.6 | 169.9 | -102.9 | 176.1 | -170.2 | 0 | 0 | 113.3 | K1451 | K1451-E1457 WeakPolarHBondContact O-CB 3.45Å; K1451-E1457 VanDerWaalsContact O-CD 3.29Å; K1451-E1457 VanDerWaalsContact O-CG 3.31Å; K1451-E1457 WeakPolarHBondContact O-CG 3.43Å | ||
| 1458 | F | 29.2 | Very low | 28.5 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | 50.3 | 107 | 169.2 | -69.7 | -77.4 | 0 | 0 | 0 | 118.6 | ||||
| 1459 | E | 29.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | 63.3 | 110.3 | 98.2 | -68.8 | -158.4 | 129.6 | 0 | 0 | 114.8 | |||||
| 1460 | N | 24.1 | Very low | 28.2 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | 55.6 | 100.3 | 85 | -80.6 | -35.9 | 0 | 0 | 0 | 112.9 | |||||
| 1461 | V | 24.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | 92.5 | 136.4 | 81.4 | 152.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1462 | P | 33.6 | Very low | 27.8 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -94 | 175.3 | -155.5 | 37.4 | -39.2 | 0 | 0 | 0 | 114.7 | ||||
| 1463 | S | 26.9 | Very low | 27.6 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -141.3 | 116.4 | 153.6 | -72.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1464 | S | 24.5 | Very low | 26.7 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 86.1 | 135.9 | 53.4 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1465 | P | 32.6 | Very low | 26.3 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -105.4 | 153.3 | -153.7 | 39.2 | -35.5 | 0 | 0 | 0 | 116.6 | ||||
| 1466 | A | 25.7 | Very low | 26 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -163.7 | 108.9 | 149 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1467 | V | 26.9 | Very low | 25.9 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | 58.4 | 94.4 | 81 | -176.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1468 | V | 28.5 | Very low | 25.8 | Very low | 146 Ų | 146 | 138 Ų | 138 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -143.4 | 138.1 | 144.3 | 167.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1469 | R | 25.7 | Very low | 25.6 | Very low | 240 Ų | 240 | 133.9 Ų | 133.9 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -82.1 | 153.3 | 171.6 | -64.5 | 168.1 | 174.9 | 148.1 | -5.1 | 110.1 | ||||
| 1470 | A | 24.3 | Very low | 25.3 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | cis | -173.3 | 145.3 | -19.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1471 | V | 25 | Very low | 25.3 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -129 | 120.1 | 162.3 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1472 | K | 22.4 | Very low | 25.2 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -89.3 | 102.4 | 167.7 | -78.7 | -177.6 | 176 | 177.6 | 0 | 108.6 | ||||
| 1473 | Q | 24.7 | Very low | 24.8 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -142 | 135.6 | 155.7 | -112.6 | -179.3 | 3.9 | 0 | 0 | 112.7 | V1475 | Q1473-V1475 PolarHBondContact O-N 3.16Š| ||
| 1474 | K | 21.9 | Very low | 24.6 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -4.3 | 109.5 | 164.3 | -56.4 | 169.6 | -179.5 | 176.8 | 0 | 116.6 | ||||
| 1475 | V | 23.1 | Very low | 24.6 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | -114.6 | 124.2 | 122.1 | 176 | 0 | 0 | 0 | 0 | 106.8 | Q1473 | Q1473-V1475 PolarHBondContact O-N 3.16Š| |||
| 1476 | S | 22.9 | Very low | 24.3 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | trans | -79.7 | 122.8 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | S1478 | S1476-S1478 VanDerWaalsContact C-N 3.31Å; S1476-S1478 PolarHBondContact O-N 2.69Å | ||
| 1477 | V | 23.8 | Very low | 24.4 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 87% | 0.873 | 74% | 0.738 | S | S | * | * | trans | -81 | 91.7 | 149.5 | -177.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1478 | S | 22.1 | Very low | 24.3 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 52% | 0.524 | 73% | 0.726 | S | S | . | * | trans | -81.5 | -156.6 | 169.8 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | S1476 | S1476-S1478 VanDerWaalsContact C-N 3.31Å; S1476-S1478 PolarHBondContact O-N 2.69Å | ||
| 1479 | S | 25 | Very low | 24.2 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 52% | 0.524 | 73% | 0.729 | S | S | . | * | trans | 57.3 | 55.4 | 165 | 62.4 | 0 | 0 | 0 | 0 | 118.5 | I1481 | S1479-I1481 PolarHBondContact O-N 3.43Å; S1479-I1481 VanDerWaalsContact O-N 3.09Å | ||
| 1480 | V | 22.2 | Very low | 24.3 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 66% | 0.655 | 72% | 0.722 | S | S | * | * | trans | -76.7 | 68.2 | 135.3 | -171.2 | 0 | 0 | 0 | 0 | 107.6 | K473 | K473-V1480 PolarHBondContact NZ-O 3.46Š| ||
| 1481 | I | 24.7 | Very low | 24.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 55% | 0.554 | 73% | 0.725 | S | S | * | * | trans | -66 | 140.8 | 177.1 | -81.2 | 166.5 | 0 | 0 | 0 | 109.2 | S1479 L1483 | S1479-I1481 PolarHBondContact O-N 3.43Å; S1479-I1481 VanDerWaalsContact O-N 3.09Å; I1481-L1483 PolarHBondContact O-N 2.67Å | ||
| 1482 | P | 23.8 | Very low | 24.4 | Very low | 88 Ų | 88 | 131 Ų | 131 | 57% | 0.571 | 73% | 0.725 | S | S | * | * | trans | -65.1 | 119.9 | 165.8 | 28.8 | -32.5 | 0 | 0 | 0 | 109.2 | D1484 | P1482-D1484 VanDerWaalsContact C-N 3.29Å; P1482-D1484 PolarHBondContact O-N 2.54Å | ||
| 1483 | L | 23.7 | Very low | 24.5 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -75.5 | 84.5 | 175.8 | -80.4 | 173.5 | 0 | 0 | 0 | 110.6 | I1481 | I1481-L1483 PolarHBondContact O-N 2.67Š| ||
| 1484 | D | 23.2 | Very low | 24.7 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -112.7 | 132.4 | 149.8 | -123.6 | -52.5 | 0 | 0 | 0 | 110.2 | P1482 | P1482-D1484 VanDerWaalsContact C-N 3.29Å; P1482-D1484 PolarHBondContact O-N 2.54Å | ||
| 1485 | S | 24.6 | Very low | 25.1 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | trans | 27 | 92.7 | 154.4 | -48.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1486 | A | 26.9 | Very low | 25.2 | Very low | 102 Ų | 102 | 124 Ų | 124 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -128.1 | 126.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1487 | E | 26.8 | Very low | 25.5 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | trans | -93.8 | 168.5 | -176.1 | -72.9 | 171.5 | -177.9 | 0 | 0 | 112.9 | R1489 | E1487-R1489 PolarHBondContact O-N 3.47Å; E1487-R1489 VanDerWaalsContact O-N 3.12Å | ||
| 1488 | L | 25.9 | Very low | 25.7 | Very low | 109 Ų | 109 | 128 Ų | 128 | 57% | 0.571 | 71% | 0.713 | S | S | * | * | trans | -73.8 | 98.7 | -171.1 | -72.2 | 159.7 | 0 | 0 | 0 | 112.4 | A862 N1490 | A862-L1488 HydrophobicContact CB-CD1 4.48Å; L1488-N1490 VanDerWaalsContact C-N 3.34Å; L1488-N1490 PolarHBondContact O-N 2.79Å | ||
| 1489 | R | 25.5 | Very low | 26 | Very low | 251 Ų | 251 | 135.1 Ų | 135.1 | 95% | 0.947 | 73% | 0.729 | S | S | * | * | trans | -74.2 | 87.6 | 157.7 | -84.6 | -165.1 | 173.8 | -166.6 | 0.9 | 110.7 | E1487 G1491 | E1487-R1489 PolarHBondContact O-N 3.47Å; E1487-R1489 VanDerWaalsContact O-N 3.12Å; R1489-G1491 PolarHBondContact O-N 3.17Å | ||
| 1490 | N | 28.7 | Very low | 26.1 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -60.6 | 123.8 | 162.6 | -89.7 | -23.2 | 0 | 0 | 0 | 109.9 | L1488 N1492 | L1488-N1490 VanDerWaalsContact C-N 3.34Å; L1488-N1490 PolarHBondContact O-N 2.79Å; N1490-N1492 PolarHBondContact O-N 3.16Å | ||
| 1491 | G | 24.1 | Very low | 26.5 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -92.3 | 92.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1489 | R1489-G1491 PolarHBondContact O-N 3.17Š| ||
| 1492 | N | 27.3 | Very low | 26.7 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -91.5 | 111.9 | 164.1 | -92.2 | -12.4 | 0 | 0 | 0 | 110.7 | N1490 | N1490-N1492 PolarHBondContact O-N 3.16Š| ||
| 1493 | K | 23.6 | Very low | 27 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -110.7 | 104.2 | 167.3 | -81.9 | -172.9 | 175.3 | -178.8 | 0 | 109.6 | ||||
| 1494 | S | 29.6 | Very low | 27.3 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -140.1 | 113.9 | 172.9 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1495 | S | 28.6 | Very low | 27.7 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 46.1 | 105.1 | 146.8 | 57.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1496 | L | 26.9 | Very low | 28 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | 59.2 | 127.7 | 113.7 | -67.8 | 158.7 | 0 | 0 | 0 | 122.3 | |||||
| 1497 | R | 27.7 | Very low | 28.3 | Very low | 218 Ų | 218 | 145.8 Ų | 145.8 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | trans | 72.9 | 95.5 | 135.6 | -73.6 | -176.4 | 172.6 | -171.7 | -2 | 121.6 | ||||
| 1498 | S | 28.6 | Very low | 28.6 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 84.2 | 140.6 | 108.7 | 74.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1499 | R | 29.4 | Very low | 28.7 | Very low | 224 Ų | 224 | 147.9 Ų | 147.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 77.1 | 96.1 | 152.4 | -75.9 | -179.6 | 172.9 | 177.2 | -2.2 | 120.9 | ||||
| 1500 | Q | 27.2 | Very low | 29.6 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 43.6 | 133.5 | 114 | -71.6 | 178.1 | -43.1 | 0 | 0 | 122 | |||||
| 1501 | S | 28.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 78.4 | 149.3 | 144 | 75.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1502 | A | 29.5 | Very low | 30.2 | Very low | 78 Ų | 78 | 148.7 Ų | 148.7 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | cis | -172.4 | 170.6 | -23.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1503 | T | 29.8 | Very low | 30.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | trans | 76.4 | 159.9 | 160.8 | 77 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1504 | S | 29.8 | Very low | 31 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | 177.1 | 173.6 | -32.5 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1505 | K | 32.4 | Very low | 31.2 | Very low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | trans | 90.8 | 148 | 164.9 | -54.7 | 166.4 | -175.6 | 169.8 | 0 | 115.6 | ||||
| 1506 | K | 31.4 | Very low | 31.5 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -172.3 | 171.8 | -12.4 | -108.3 | -163.9 | 161.5 | -166.8 | 0 | 107.3 | ||||
| 1507 | S | 31.7 | Very low | 31.8 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | cis | 176.3 | -168.2 | -33.1 | 60.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1508 | Q | 33.8 | Very low | 32.1 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 91.8 | 150.6 | 175.8 | -52.9 | -163.9 | 45.5 | 0 | 0 | 115.1 | ||||
| 1509 | L | 28.1 | Very low | 32.4 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | cis | 175.4 | 177.4 | -36.4 | -100 | 163.8 | 0 | 0 | 0 | 106.7 | ||||
| 1510 | P | 45.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -125.7 | -127.1 | 8.1 | 40.9 | -20.2 | 0 | 0 | 0 | 115.7 | ||||
| 1511 | K | 31 | Very low | 32.6 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -146.8 | 167.9 | -156.4 | -49.2 | 171.8 | -177.4 | 172.9 | 0 | 114.1 | ||||
| 1512 | K | 34.5 | Very low | 32.8 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | trans | 135.8 | 150.7 | 146.9 | -78.7 | 176.1 | 152.5 | -94.7 | 0 | 111.9 | ||||
| 1513 | D | 33.5 | Very low | 32.8 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -160.3 | 178.7 | -9.3 | -109.2 | -23.5 | 0 | 0 | 0 | 111.1 | ||||
| 1514 | V | 33.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 87.2 | 104.2 | 158.6 | -165.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1515 | A | 34.4 | Very low | 33 | Very low | 80 Ų | 80 | 156.3 Ų | 156.3 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | trans | 63.5 | 156.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1516 | K | 34 | Very low | 32.9 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | cis | -165.2 | 156.6 | -16 | -102.6 | 164.1 | -168.6 | 171.9 | 0 | 107.7 | ||||
| 1517 | V | 32.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | cis | -166.2 | 126.4 | -39 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1518 | R | 34.3 | Very low | 32.7 | Very low | 209 Ų | 209 | 154.9 Ų | 154.9 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | trans | 71 | 157.2 | 163.7 | -72.9 | 164.1 | -177.1 | 174 | -1.9 | 117.9 | ||||
| 1519 | R | 34.9 | Very low | 32.5 | Very low | 209 Ų | 209 | 153 Ų | 153 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | cis | -152.1 | 139 | 15.5 | -138.3 | 160.3 | -170.3 | 163.6 | -2.5 | 114.5 | ||||
| 1520 | K | 32.2 | Very low | 32.6 | Very low | 188 Ų | 188 | 154 Ų | 154 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | 0.3 | 140.1 | 155 | -53.2 | -176.4 | 175.7 | -170.4 | 0 | 119.8 | ||||
| 1521 | Q | 28.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | cis | 68.7 | 108.7 | 46.7 | -73.8 | -166.7 | -14.4 | 0 | 0 | 118 | ||||
| 1522 | A | 32 | Very low | 31.8 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | 171 | 148.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1523 | K | 31 | Very low | 31.6 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | cis | -163.3 | 144.6 | -5.4 | -117.6 | -169.7 | 175 | -177.4 | 0 | 111.2 | ||||
| 1524 | V | 30.9 | Very low | 31.6 | Very low | 136 Ų | 136 | 154 Ų | 154 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 76.5 | 163.5 | 140.2 | 174.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1525 | K | 31.4 | Very low | 31.3 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -117.2 | 164.9 | -163.8 | -57.5 | 174.7 | 172.5 | -178.5 | 0 | 113.3 | ||||
| 1526 | S | 30.6 | Very low | 31.1 | Very low | 109 Ų | 109 | 162.8 Ų | 162.8 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 68.7 | 147.2 | 140.5 | 64.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1527 | V | 31.6 | Very low | 30.9 | Very low | 126 Ų | 126 | 159 Ų | 159 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -163.1 | 167 | 0.2 | 109.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1528 | R | 28.3 | Very low | 30.8 | Very low | 188 Ų | 188 | 157.5 Ų | 157.5 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | trans | 84.3 | 135.6 | 156.5 | -108.9 | 177.8 | 159 | 141 | -2.1 | 122.2 | ||||
| 1529 | E | 29.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 157.5 Ų | 157.5 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | 56.3 | 152 | 148.5 | -75.7 | 144.5 | -157.6 | 0 | 0 | 119.1 | ||||
| 1530 | N | 30.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 156.7 Ų | 156.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -144.8 | -179.6 | 10.1 | -150 | -17.9 | 0 | 0 | 0 | 112 | ||||
| 1531 | S | 30.5 | Very low | 30.3 | Very low | 93 Ų | 93 | 153.3 Ų | 153.3 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | trans | -107.6 | 169.4 | -171.9 | -61.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1532 | N | 29.3 | Very low | 30.2 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 88.8 | 108.6 | 157.6 | -57.4 | -39 | 0 | 0 | 0 | 121.4 | ||||
| 1533 | R | 29.8 | Very low | 30.1 | Very low | 233 Ų | 233 | 153.6 Ų | 153.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | -158.5 | 120.3 | 114.1 | -105.3 | -178.6 | 178.7 | -166.5 | 0.7 | 109.4 | |||||
| 1534 | V | 32.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | 63.5 | 103 | 106.1 | 174.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1535 | L | 28.3 | Very low | 29.9 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | 74.6 | 143 | 63.7 | -73.1 | 170.5 | 0 | 0 | 0 | 115.3 | |||||
| 1536 | R | 30.4 | Very low | 30 | Very low | 240 Ų | 240 | 150 Ų | 150 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 76.2 | 145.3 | -177.5 | -54.9 | 177.3 | 180 | -178.8 | -0 | 113.8 | ||||
| 1537 | S | 30.3 | Very low | 30.1 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -175 | 159.7 | -14.5 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1538 | G | 30.4 | Very low | 30.1 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 123.8 | 119.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1539 | K | 27.6 | Very low | 30.4 | Very low | 209 Ų | 209 | 145.8 Ų | 145.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -66 | 147.2 | 170.9 | -56.3 | 169.2 | 177.6 | 178.8 | 0 | 112.1 | ||||
| 1540 | K | 30.9 | Very low | 30.8 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -160.1 | 128 | 135.6 | -105 | 162.2 | -175.1 | -176.5 | 0 | 108.5 | ||||
| 1541 | V | 31.8 | Very low | 31 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | 57.9 | 101.8 | 99.5 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1542 | S | 26.2 | Very low | 31 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | cis | 78.8 | 78.3 | 48.9 | -50.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1543 | Q | 30.6 | Very low | 31.1 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -154.9 | 137.5 | 156.9 | -98.7 | 163.5 | -13.6 | 0 | 0 | 104.3 | ||||
| 1544 | A | 31.2 | Very low | 31.1 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | 62 | 131.6 | 55.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1545 | F | 27 | Very low | 31.1 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | cis | -162.9 | 167.3 | -4.3 | -146.6 | -97.7 | 0 | 0 | 0 | 106.5 | ||||
| 1546 | I | 32 | Very low | 31.3 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | 69.7 | 145.9 | 178.4 | -43.7 | 165.1 | 0 | 0 | 0 | 111.7 | ||||
| 1547 | G | 32.7 | Very low | 31.3 | Very low | 62 Ų | 62 | 147.3 Ų | 147.3 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | cis | 134.9 | 147.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1548 | L | 32.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | 75.6 | 118.9 | 172.2 | -64.8 | 165.4 | 0 | 0 | 0 | 120.2 | ||||
| 1549 | T | 34.7 | Very low | 31.5 | Very low | 112 Ų | 112 | 155 Ų | 155 | 69% | 0.687 | 82% | 0.819 | S | S | * | * | trans | 81.8 | 128.3 | 137.4 | 55.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1550 | N | 37.4 | Very low | 31.8 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | 66.2 | 87.3 | 148.2 | -55 | -14 | 0 | 0 | 0 | 117.4 | ||||
| 1551 | K | 34.7 | Very low | 31.9 | Very low | 286 Ų | 286 | 146.7 Ų | 146.7 | 100% | 1.243 | 81% | 0.809 | S | S | * | * | -163.7 | 0 | 70.7 | -102.3 | -178.1 | 173.8 | -179.6 | 0 | 113.3 |
Retrieved 1,551 of 1,551 residues in 1093.2 ms
(Link to these results)