| 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 | 33.7 | Very low | 57.2 | Low | 204 Ų | 204 | 101.4 Ų | 101.4 | 100% | 1.005 | 55% | 0.548 | S | S | * | . | 0 | 100.2 | 0 | -85.3 | -75.1 | 165.5 | 0 | 0 | 108.5 | |||||
| 2 | C | 41.7 | Very low | 59.3 | Low | 100 Ų | 100 | 94.2 Ų | 94.2 | 68% | 0.676 | 51% | 0.509 | S | S | * | . | trans | -66.3 | 155.3 | -169.7 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | D4 | C2-D4 WeakPolarHBondContact CB-OD2 3.3Š| ||
| 3 | C | 46 | Very low | 61.5 | Low | 50 Ų | 50 | 94.6 Ų | 94.6 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -96.2 | -2 | -174.1 | -74.1 | 0 | 0 | 0 | 0 | 114.3 | N5 L6 | C3-N5 PolarHBondContact O-N 3.05Å; C3-N5 VanDerWaalsContact O-N 3.1Å; C3-L6 PolarHBondContact O-N 2.55Å |
| 4 | D | 43.9 | Very low | 63.4 | Low | 136 Ų | 136 | 99.9 Ų | 99.9 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -67.8 | -16 | -167 | -51.7 | -79.6 | 0 | 0 | 0 | 114.7 | C2 | C2-D4 WeakPolarHBondContact CB-OD2 3.3Š|
| 5 | N | 48.9 | Very low | 64.8 | Low | 136 Ų | 136 | 96.5 Ų | 96.5 | 73% | 0.727 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -88.1 | -1.9 | 179 | -79 | -80.3 | 0 | 0 | 0 | 115 | C3 A11 | C3-N5 PolarHBondContact O-N 3.05Å; C3-N5 VanDerWaalsContact O-N 3.1Å; N5-A11 WeakPolarHBondContact O-CB 3.47Å |
| 6 | L | 52.8 | Low | 66.3 | Low | 15 Ų | 15 | 90.6 Ų | 90.6 | 8% | 0.079 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -94.7 | -5.1 | 178.6 | -88.7 | 82.9 | 0 | 0 | 0 | 114.2 | C3 E8 M15 R172 A176 | C3-L6 PolarHBondContact O-N 2.55Å; L6-E8 VanDerWaalsContact C-N 3.27Å; L6-E8 PolarHBondContact O-N 3.08Å; L6-M15 HydrophobicContact CD1-CE 3.82Å; L6-M15 HydrophobicContact CD1-SD 4.25Å; L6-M15 HydrophobicContact CD2-CE 4.49Å; L6-M15 HydrophobicContact CD2-SD 3.83Å; L6-M15 HydrophobicContact CG-CE 4.03Å; L6-M15 HydrophobicContact CG-SD 3.93Å; L6-R172 HydrophobicContact CD2-CB 4.21Å; L6-A176 HydrophobicContact CB-CB 4.45Å; L6-A176 HydrophobicContact CD2-CB 3.96Å |
| 7 | E | 57.3 | Low | 67.7 | Low | 137 Ų | 137 | 91.8 Ų | 91.8 | 64% | 0.64 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -75 | -18.8 | -175.5 | -162.5 | 147.9 | 128 | 0 | 0 | 112.9 | K80 | E7-K80 PolarHBondContact O-NZ 3.48Š|
| 8 | E | 70 | Confident | 68.9 | Low | 126 Ų | 126 | 89.1 Ų | 89.1 | 59% | 0.589 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -72.3 | 133.4 | 174.9 | -64.5 | -166.2 | 172.7 | 0 | 0 | 112.5 | L6 L10 A11 L12 | L6-E8 VanDerWaalsContact C-N 3.27Å; L6-E8 PolarHBondContact O-N 3.08Å; E8-L10 PolarHBondContact O-N 3.04Å; E8-A11 HydrophobicContact CB-CB 4.17Å; E8-A11 PolarHBondContact O-N 2.98Å; E8-L12 PolarHBondContact O-N 3.14Å |
| 9 | P | 72.1 | Confident | 70 | Confident | 60 Ų | 60 | 84.5 Ų | 84.5 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.2 | -31.5 | -179.4 | 27.9 | -31.2 | 0 | 0 | 0 | 111.9 | L12 M13 S77 K80 | P9-L12 PolarHBondContact O-N 3.37Å; P9-M13 WeakPolarHBondContact O-CB 3.39Å; P9-M13 PolarHBondContact O-N 2.84Å; P9-S77 PolarHBondContact O-OG 3.46Å; P9-K80 HydrophobicContact CB-CD 4.26Å |
| 10 | L | 81.2 | Confident | 71.1 | Confident | 127 Ų | 127 | 81.7 Ų | 81.7 | 67% | 0.665 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.9 | -44.5 | 178.2 | -174.4 | 65.4 | 0 | 0 | 0 | 111.6 | E8 M13 K14 | E8-L10 PolarHBondContact O-N 3.04Å; L10-M13 PolarHBondContact O-N 3.17Å; L10-K14 PolarHBondContact O-N 3Å |
| 11 | A | 81.6 | Confident | 72.2 | Confident | 24 Ų | 24 | 83.5 Ų | 83.5 | 20% | 0.198 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N5 E8 M13 K14 M15 | N5-A11 WeakPolarHBondContact O-CB 3.47Å; E8-A11 HydrophobicContact CB-CB 4.17Å; E8-A11 PolarHBondContact O-N 2.98Å; A11-M13 VanDerWaalsContact C-N 3.32Å; A11-M13 PolarHBondContact O-N 2.87Å; A11-K14 PolarHBondContact O-N 3.18Å; A11-M15 WeakPolarHBondContact O-CG 3.39Å; A11-M15 PolarHBondContact O-N 3.43Å |
| 12 | L | 81.9 | Confident | 74.8 | Confident | 15 Ų | 15 | 74.8 Ų | 74.8 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -39.3 | 177.3 | -158.6 | 85.8 | 0 | 0 | 0 | 112.3 | E8 P9 G16 A73 L76 | E8-L12 PolarHBondContact O-N 3.14Å; P9-L12 PolarHBondContact O-N 3.37Å; L12-G16 PolarHBondContact O-N 2.97Å; L12-A73 WeakPolarHBondContact CD2-O 3.43Å; L12-L76 HydrophobicContact CD2-CB 4.27Å; L12-L76 HydrophobicContact CD2-CD2 4.39Å; L12-L76 HydrophobicContact CD2-CG 4.27Å |
| 13 | M | 88.1 | Confident | 77.1 | Confident | 100 Ų | 100 | 70 Ų | 70 | 49% | 0.493 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 176.4 | 179.4 | 175.6 | 167.1 | 0 | 0 | 111.9 | P9 L10 A11 M15 G16 L17 | P9-M13 WeakPolarHBondContact O-CB 3.39Å; P9-M13 PolarHBondContact O-N 2.84Å; L10-M13 PolarHBondContact O-N 3.17Å; A11-M13 VanDerWaalsContact C-N 3.32Å; A11-M13 PolarHBondContact O-N 2.87Å; M13-M15 VanDerWaalsContact C-N 3.35Å; M13-M15 PolarHBondContact O-N 2.93Å; M13-G16 PolarHBondContact O-N 3Å; M13-L17 PolarHBondContact O-N 3.2Å |
| 14 | K | 88.2 | Confident | 79.3 | Confident | 168 Ų | 168 | 71.9 Ų | 71.9 | 73% | 0.73 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 177.5 | -170.4 | 173.2 | -178.8 | 176.8 | 0 | 111.8 | L10 A11 S18 | L10-K14 PolarHBondContact O-N 3Å; A11-K14 PolarHBondContact O-N 3.18Å; K14-S18 WeakPolarHBondContact O-CB 3.38Å; K14-S18 PolarHBondContact O-N 3.15Å; K14-S18 VanDerWaalsContact O-N 3.09Å |
| 15 | M | 85.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 171.9 | -69.1 | -168 | -174.8 | 0 | 0 | 111.9 | L6 A11 M13 L17 S18 V19 F169 | L6-M15 HydrophobicContact CD1-CE 3.82Å; L6-M15 HydrophobicContact CD1-SD 4.25Å; L6-M15 HydrophobicContact CD2-CE 4.49Å; L6-M15 HydrophobicContact CD2-SD 3.83Å; L6-M15 HydrophobicContact CG-CE 4.03Å; L6-M15 HydrophobicContact CG-SD 3.93Å; A11-M15 WeakPolarHBondContact O-CG 3.39Å; A11-M15 PolarHBondContact O-N 3.43Å; M13-M15 VanDerWaalsContact C-N 3.35Å; M13-M15 PolarHBondContact O-N 2.93Å; M15-L17 VanDerWaalsContact C-N 3.32Å; M15-L17 PolarHBondContact O-N 2.96Å; M15-S18 WeakPolarHBondContact O-CB 3.47Å; M15-S18 PolarHBondContact O-N 3.14Å; M15-S18 VanDerWaalsContact O-N 3.11Å; M15-V19 WeakPolarHBondContact O-CG2 3.29Å; M15-V19 PolarHBondContact O-N 3.05Å; M15-F169 HydrophobicContact CB-CE1 4.49Å; M15-F169 HydrophobicContact CG-CE1 4.21Å |
| 16 | G | 88.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.8 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 M13 V19 I20 | L12-G16 PolarHBondContact O-N 2.97Å; M13-G16 PolarHBondContact O-N 3Å; G16-V19 PolarHBondContact O-N 3Å; G16-I20 WeakPolarHBondContact O-CG1 3.29Å; G16-I20 PolarHBondContact O-N 3.02Å |
| 17 | L | 90 | Very high | 85.2 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 174.8 | -172.6 | 68.3 | 0 | 0 | 0 | 112.4 | M13 M15 V19 I20 L21 | M13-L17 PolarHBondContact O-N 3.2Å; M15-L17 VanDerWaalsContact C-N 3.32Å; M15-L17 PolarHBondContact O-N 2.96Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 3.38Å; L17-I20 PolarHBondContact O-N 3.44Å; L17-L21 PolarHBondContact O-N 3.1Å |
| 18 | S | 88.8 | Confident | 86.7 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 175.3 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | K14 M15 L21 V22 F169 | K14-S18 WeakPolarHBondContact O-CB 3.38Å; K14-S18 PolarHBondContact O-N 3.15Å; K14-S18 VanDerWaalsContact O-N 3.09Å; M15-S18 WeakPolarHBondContact O-CB 3.47Å; M15-S18 PolarHBondContact O-N 3.14Å; M15-S18 VanDerWaalsContact O-N 3.11Å; S18-L21 PolarHBondContact O-N 3.25Å; S18-V22 VanDerWaalsContact O-CG2 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.25Å; S18-V22 PolarHBondContact O-N 2.77Å; S18-F169 WeakPolarHBondContact OG-CZ 3.25Å |
| 19 | V | 89.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | M15 G16 L17 V22 G23 G66 F169 | M15-V19 WeakPolarHBondContact O-CG2 3.29Å; M15-V19 PolarHBondContact O-N 3.05Å; G16-V19 PolarHBondContact O-N 3Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 3.38Å; V19-V22 PolarHBondContact O-N 3.04Å; V19-G23 PolarHBondContact O-N 3.38Å; V19-G66 VanDerWaalsContact CG1-O 3.31Å; V19-G66 WeakPolarHBondContact CG1-O 3.12Å; V19-F169 HydrophobicContact CG2-CB 3.38Å; V19-F169 HydrophobicContact CG2-CD1 4.01Å; V19-F169 HydrophobicContact CG2-CD2 4.25Å; V19-F169 HydrophobicContact CG2-CG 3.65Å |
| 20 | I | 93.6 | Very high | 88 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -48.2 | 173.1 | -70.5 | 170 | 0 | 0 | 0 | 110.3 | G16 L17 V22 G23 H24 I71 I74 | G16-I20 WeakPolarHBondContact O-CG1 3.29Å; G16-I20 PolarHBondContact O-N 3.02Å; L17-I20 PolarHBondContact O-N 3.44Å; I20-V22 PolarHBondContact O-N 2.89Å; I20-G23 PolarHBondContact O-N 3.21Å; I20-H24 PolarHBondContact O-CD2 3.38Å; I20-H24 PolarHBondContact O-N 3.13Å; I20-I71 HydrophobicContact CD1-CG1 3.92Å; I20-I71 HydrophobicContact CG1-CG1 4.39Å; I20-I74 HydrophobicContact CD1-CD1 3.57Å |
| 21 | L | 92.6 | Very high | 88.2 | Confident | 119 Ų | 119 | 53.4 Ų | 53.4 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 179.2 | -175.8 | 66 | 0 | 0 | 0 | 111.8 | L17 S18 G23 H24 V25 | L17-L21 PolarHBondContact O-N 3.1Å; S18-L21 PolarHBondContact O-N 3.25Å; L21-G23 VanDerWaalsContact C-N 3.34Å; L21-G23 PolarHBondContact O-N 3.49Å; L21-H24 PolarHBondContact O-N 2.81Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 3.27Å |
| 22 | V | 89.9 | Confident | 88.4 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 177 | 171 | 0 | 0 | 0 | 0 | 111.4 | S18 V19 I20 V25 N26 I165 Q166 | S18-V22 VanDerWaalsContact O-CG2 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.25Å; S18-V22 PolarHBondContact O-N 2.77Å; V19-V22 PolarHBondContact O-N 3.04Å; I20-V22 PolarHBondContact O-N 2.89Å; V22-V25 PolarHBondContact O-N 3.24Å; V22-N26 WeakPolarHBondContact CG1-ND2 3.43Å; V22-N26 WeakPolarHBondContact O-CB 3.49Å; V22-N26 PolarHBondContact O-N 2.97Å; V22-N26 PolarHBondContact O-ND2 3.35Å; V22-N26 VanDerWaalsContact O-ND2 3.08Å; V22-I165 HydrophobicContact CG1-CB 4.45Å; V22-I165 HydrophobicContact CG1-CG2 4.11Å; V22-I165 HydrophobicContact CG2-CG2 3.83Å; V22-Q166 HydrophobicContact CG1-CB 4.1Å |
| 23 | G | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V19 I20 L21 N26 F27 | V19-G23 PolarHBondContact O-N 3.38Å; I20-G23 PolarHBondContact O-N 3.21Å; L21-G23 VanDerWaalsContact C-N 3.34Å; L21-G23 PolarHBondContact O-N 3.49Å; G23-N26 PolarHBondContact O-N 3.39Å; G23-F27 WeakPolarHBondContact O-CB 3.44Å; G23-F27 PolarHBondContact O-N 3.01Å |
| 24 | H | 92.2 | Very high | 87.9 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 174.1 | -76.7 | -65.1 | 0 | 0 | 0 | 112.7 | I20 L21 N26 F27 L28 | I20-H24 PolarHBondContact O-CD2 3.38Å; I20-H24 PolarHBondContact O-N 3.13Å; L21-H24 PolarHBondContact O-N 2.81Å; H24-N26 VanDerWaalsContact C-N 3.35Å; H24-F27 PolarHBondContact O-N 3.22Å; H24-L28 WeakPolarHBondContact O-CG 3.48Å; H24-L28 PolarHBondContact O-N 3.19Å |
| 25 | V | 90.6 | Very high | 87.3 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.418 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62 | -44 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | L21 V22 F27 L28 M29 | L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 3.27Å; V22-V25 PolarHBondContact O-N 3.24Å; V25-F27 PolarHBondContact O-N 3.28Å; V25-L28 PolarHBondContact O-N 3.4Å; V25-M29 HydrophobicContact CG1-CG 4.18Å; V25-M29 VanDerWaalsContact O-CB 3.3Å; V25-M29 WeakPolarHBondContact O-CB 3.29Å; V25-M29 WeakPolarHBondContact O-CG 3.3Å; V25-M29 PolarHBondContact O-N 2.89Å |
| 26 | N | 88.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.9 | -81.7 | -43 | 0 | 0 | 0 | 112.5 | V22 G23 H24 G30 S162 C163 | V22-N26 WeakPolarHBondContact CG1-ND2 3.43Å; V22-N26 WeakPolarHBondContact O-CB 3.49Å; V22-N26 PolarHBondContact O-N 2.97Å; V22-N26 PolarHBondContact O-ND2 3.35Å; V22-N26 VanDerWaalsContact O-ND2 3.08Å; G23-N26 PolarHBondContact O-N 3.39Å; H24-N26 VanDerWaalsContact C-N 3.35Å; N26-G30 PolarHBondContact O-N 2.97Å; N26-S162 PolarHBondContact ND2-O 2.9Å; N26-S162 VanDerWaalsContact ND2-O 3.17Å; N26-S162 VanDerWaalsContact OD1-C 3.3Å; N26-S162 WeakPolarHBondContact OD1-CB 3.22Å; N26-S162 PolarHBondContact OD1-OG 3.19Å; N26-C163 PolarHBondContact OD1-N 3.44Å |
| 27 | F | 89.6 | Confident | 85.7 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 177.7 | 175.4 | -100.7 | 0 | 0 | 0 | 112.2 | G23 H24 V25 G30 A31 L60 I64 | G23-F27 WeakPolarHBondContact O-CB 3.44Å; G23-F27 PolarHBondContact O-N 3.01Å; H24-F27 PolarHBondContact O-N 3.22Å; V25-F27 PolarHBondContact O-N 3.28Å; F27-G30 PolarHBondContact O-N 3.45Å; F27-A31 WeakPolarHBondContact O-CB 3.27Å; F27-A31 PolarHBondContact O-N 3.41Å; F27-L60 HydrophobicContact CD2-CD2 3.79Å; F27-L60 HydrophobicContact CE2-CD2 3.95Å; F27-L60 WeakPolarHBondContact O-CD2 3.47Å; F27-I64 HydrophobicContact CD2-CD1 4.18Å; F27-I64 HydrophobicContact CD2-CG1 3.81Å; F27-I64 HydrophobicContact CE2-CD1 4.05Å; F27-I64 HydrophobicContact CE2-CG1 4.12Å |
| 28 | L | 89.9 | Confident | 84.4 | Confident | 113 Ų | 113 | 47.8 Ų | 47.8 | 59% | 0.592 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 179.2 | -69.9 | 171.4 | 0 | 0 | 0 | 112 | H24 V25 A31 L32 | H24-L28 WeakPolarHBondContact O-CG 3.48Å; H24-L28 PolarHBondContact O-N 3.19Å; V25-L28 PolarHBondContact O-N 3.4Å; L28-A31 PolarHBondContact O-N 3.48Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 PolarHBondContact O-N 3.34Å |
| 29 | M | 84.7 | Confident | 83.2 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 176.5 | -70 | -73.3 | -74.3 | 0 | 0 | 111.5 | V25 A31 L32 V33 L155 L159 | V25-M29 HydrophobicContact CG1-CG 4.18Å; V25-M29 VanDerWaalsContact O-CB 3.3Å; V25-M29 WeakPolarHBondContact O-CB 3.29Å; V25-M29 WeakPolarHBondContact O-CG 3.3Å; V25-M29 PolarHBondContact O-N 2.89Å; M29-A31 VanDerWaalsContact C-N 3.33Å; M29-A31 PolarHBondContact O-N 3.09Å; M29-L32 PolarHBondContact O-N 2.98Å; M29-V33 VanDerWaalsContact O-CG2 3.32Å; M29-V33 WeakPolarHBondContact O-CG2 3.47Å; M29-V33 PolarHBondContact O-N 2.94Å; M29-L155 HydrophobicContact CE-CB 4.19Å; M29-L155 HydrophobicContact CE-CD2 3.5Å; M29-L155 HydrophobicContact CE-CG 4.46Å; M29-L155 WeakPolarHBondContact CE-O 3.32Å; M29-L155 HydrophobicContact SD-CD2 3.78Å; M29-L159 HydrophobicContact CB-CD1 3.86Å |
| 30 | G | 83.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N26 F27 H34 | N26-G30 PolarHBondContact O-N 2.97Å; F27-G30 PolarHBondContact O-N 3.45Å; G30-H34 WeakPolarHBondContact O-CB 3.42Å; G30-H34 PolarHBondContact O-N 3.26Å |
| 31 | A | 86.2 | Confident | 79.6 | Confident | 43 Ų | 43 | 63 Ų | 63 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F27 L28 M29 H34 G35 L60 | F27-A31 WeakPolarHBondContact O-CB 3.27Å; F27-A31 PolarHBondContact O-N 3.41Å; L28-A31 PolarHBondContact O-N 3.48Å; M29-A31 VanDerWaalsContact C-N 3.33Å; M29-A31 PolarHBondContact O-N 3.09Å; A31-H34 PolarHBondContact O-N 3.42Å; A31-G35 PolarHBondContact O-N 2.71Å; A31-L60 HydrophobicContact CB-CD2 3.97Å |
| 32 | L | 84.4 | Confident | 77.6 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 176.4 | -178.3 | 62.7 | 0 | 0 | 0 | 111.5 | L28 M29 H34 G35 I36 L155 | L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 PolarHBondContact O-N 3.34Å; M29-L32 PolarHBondContact O-N 2.98Å; L32-H34 VanDerWaalsContact C-N 3.35Å; L32-H34 PolarHBondContact O-N 3.34Å; L32-G35 PolarHBondContact O-N 2.87Å; L32-I36 HydrophobicContact CD1-CD1 4.15Å; L32-I36 HydrophobicContact CG-CD1 3.98Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.4Å; L32-I36 PolarHBondContact O-N 2.99Å; L32-L155 HydrophobicContact CD2-CD1 4.08Å; L32-L155 HydrophobicContact CD2-CD2 3.76Å; L32-L155 HydrophobicContact CG-CD1 4.25Å |
| 33 | V | 78.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.018 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | M29 I36 V37 N56 L155 | M29-V33 VanDerWaalsContact O-CG2 3.32Å; M29-V33 WeakPolarHBondContact O-CG2 3.47Å; M29-V33 PolarHBondContact O-N 2.94Å; V33-I36 PolarHBondContact O-N 2.92Å; V33-V37 HydrophobicContact CG1-CG2 4.43Å; V33-V37 WeakPolarHBondContact O-CB 3.37Å; V33-V37 VanDerWaalsContact O-CG2 3.28Å; V33-V37 WeakPolarHBondContact O-CG2 3.41Å; V33-V37 PolarHBondContact O-N 3.22Å; V33-N56 WeakPolarHBondContact CG1-OD1 3.18Å; V33-L155 HydrophobicContact CG2-CB 3.77Å; V33-L155 HydrophobicContact CG2-CD1 4.03Å; V33-L155 HydrophobicContact CG2-CG 4.46Å |
| 34 | H | 81.1 | Confident | 73.3 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.7 | -173.2 | 75.2 | 0 | 0 | 0 | 112.2 | G30 A31 L32 V37 L38 N56 L60 | G30-H34 WeakPolarHBondContact O-CB 3.42Å; G30-H34 PolarHBondContact O-N 3.26Å; A31-H34 PolarHBondContact O-N 3.42Å; L32-H34 VanDerWaalsContact C-N 3.35Å; L32-H34 PolarHBondContact O-N 3.34Å; H34-V37 PolarHBondContact O-N 2.96Å; H34-L38 WeakPolarHBondContact O-CG 3.44Å; H34-L38 PolarHBondContact O-N 3.47Å; H34-N56 HydrophobicContact CB-CB 4.48Å; H34-L60 HydrophobicContact CB-CD1 4.21Å |
| 35 | G | 76.4 | Confident | 71.1 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 39% | 0.392 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A31 L32 L38 R39 | A31-G35 PolarHBondContact O-N 2.71Å; L32-G35 PolarHBondContact O-N 2.87Å; G35-L38 PolarHBondContact O-N 3.45Å; G35-R39 PolarHBondContact O-N 3Å; G35-R39 VanDerWaalsContact O-N 3.07Å |
| 36 | I | 73.9 | Confident | 69.1 | Low | 51 Ų | 51 | 88.3 Ų | 88.3 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.1 | -67.1 | 163 | 0 | 0 | 0 | 110.2 | L32 V33 R39 Q40 L155 | L32-I36 HydrophobicContact CD1-CD1 4.15Å; L32-I36 HydrophobicContact CG-CD1 3.98Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.4Å; L32-I36 PolarHBondContact O-N 2.99Å; V33-I36 PolarHBondContact O-N 2.92Å; I36-R39 PolarHBondContact O-N 3.38Å; I36-Q40 WeakPolarHBondContact O-CB 3.41Å; I36-Q40 PolarHBondContact O-N 3.47Å; I36-L155 HydrophobicContact CD1-CD1 3.47Å; I36-L155 VanDerWaalsContact CD1-CD1 3.47Å |
| 37 | V | 66.7 | Low | 67 | Low | 24 Ų | 24 | 92.2 Ų | 92.2 | 15% | 0.145 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 178.5 | 165.7 | 0 | 0 | 0 | 0 | 111.9 | V33 H34 R39 Q40 I41 | V33-V37 HydrophobicContact CG1-CG2 4.43Å; V33-V37 WeakPolarHBondContact O-CB 3.37Å; V33-V37 VanDerWaalsContact O-CG2 3.28Å; V33-V37 WeakPolarHBondContact O-CG2 3.41Å; V33-V37 PolarHBondContact O-N 3.22Å; H34-V37 PolarHBondContact O-N 2.96Å; V37-R39 VanDerWaalsContact C-N 3.32Å; V37-R39 PolarHBondContact O-N 3.44Å; V37-Q40 PolarHBondContact O-N 3.37Å; V37-I41 HydrophobicContact CG1-CD1 3.49Å; V37-I41 VanDerWaalsContact CG1-CD1 3.49Å; V37-I41 HydrophobicContact CG1-CG1 4.15Å; V37-I41 WeakPolarHBondContact O-CB 3.44Å; V37-I41 VanDerWaalsContact O-CG1 3.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.19Å |
| 38 | L | 62.8 | Low | 65.1 | Low | 93 Ų | 93 | 96.8 Ų | 96.8 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 173.4 | -73.2 | 175.2 | 0 | 0 | 0 | 112.7 | H34 G35 N42 | H34-L38 WeakPolarHBondContact O-CG 3.44Å; H34-L38 PolarHBondContact O-N 3.47Å; G35-L38 PolarHBondContact O-N 3.45Å; L38-N42 PolarHBondContact O-ND2 3.1Å |
| 39 | R | 63.2 | Low | 63.5 | Low | 206 Ų | 206 | 92.6 Ų | 92.6 | 78% | 0.777 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | 174.8 | -167.8 | 174.1 | -177.7 | 173.4 | 0.7 | 112 | G35 I36 V37 | G35-R39 PolarHBondContact O-N 3Å; G35-R39 VanDerWaalsContact O-N 3.07Å; I36-R39 PolarHBondContact O-N 3.38Å; V37-R39 VanDerWaalsContact C-N 3.32Å; V37-R39 PolarHBondContact O-N 3.44Å |
| 40 | Q | 55.1 | Low | 62.3 | Low | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -80.8 | -30.3 | -178.4 | -154.5 | 71.8 | 6.2 | 0 | 0 | 113.6 | I36 V37 N42 L43 | I36-Q40 WeakPolarHBondContact O-CB 3.41Å; I36-Q40 PolarHBondContact O-N 3.47Å; V37-Q40 PolarHBondContact O-N 3.37Å; Q40-N42 PolarHBondContact O-N 3.46Å; Q40-L43 PolarHBondContact O-N 3.18Å |
| 41 | I | 52 | Low | 61.3 | Low | 85 Ų | 85 | 100.7 Ų | 100.7 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -21.1 | 178.6 | -76.9 | 168.4 | 0 | 0 | 0 | 112.6 | V37 L43 | V37-I41 HydrophobicContact CG1-CD1 3.49Å; V37-I41 VanDerWaalsContact CG1-CD1 3.49Å; V37-I41 HydrophobicContact CG1-CG1 4.15Å; V37-I41 WeakPolarHBondContact O-CB 3.44Å; V37-I41 VanDerWaalsContact O-CG1 3.23Å; V37-I41 WeakPolarHBondContact O-CG1 3.45Å; V37-I41 PolarHBondContact O-N 3.19Å; I41-L43 PolarHBondContact O-N 2.87Å |
| 42 | N | 50.7 | Low | 60.4 | Low | 145 Ų | 145 | 101.4 Ų | 101.4 | 78% | 0.775 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.3 | 171 | -84.8 | -82.1 | 0 | 0 | 0 | 114 | L38 Q40 | L38-N42 PolarHBondContact O-ND2 3.1Å; Q40-N42 PolarHBondContact O-N 3.46Å |
| 43 | L | 47.8 | Very low | 59.9 | Low | 136 Ų | 136 | 98.4 Ų | 98.4 | 71% | 0.712 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -8 | -170.4 | -85.2 | 164.9 | 0 | 0 | 0 | 116 | Q40 I41 | Q40-L43 PolarHBondContact O-N 3.18Å; I41-L43 PolarHBondContact O-N 2.87Å |
| 44 | H | 42.4 | Very low | 59.7 | Low | 158 Ų | 158 | 103 Ų | 103 | 73% | 0.731 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -147.7 | 146.6 | -178.8 | -140 | -76.9 | 0 | 0 | 0 | 114.3 | ||
| 45 | E | 45.9 | Very low | 59.5 | Low | 177 Ų | 177 | 101.6 Ų | 101.6 | 83% | 0.827 | 52% | 0.515 | S | S | * | . | trans | -57.9 | 149.7 | -157.9 | -67.3 | -172.5 | 120.7 | 0 | 0 | 118.4 | A47 | E45-A47 PolarHBondContact O-N 3.28Š| ||
| 46 | K | 48.7 | Very low | 59.7 | Low | 215 Ų | 215 | 99.8 Ų | 99.8 | 94% | 0.935 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -72.2 | 103.5 | 179.5 | -68.1 | 173.7 | 177.8 | 172.8 | 0 | 112.3 | ||
| 47 | A | 44 | Very low | 60.2 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 69% | 0.686 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -167.9 | -53.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E45 G49 | E45-A47 PolarHBondContact O-N 3.28Å; A47-G49 PolarHBondContact O-N 3.01Å |
| 48 | R | 48.9 | Very low | 61.1 | Low | 178 Ų | 178 | 100.9 Ų | 100.9 | 67% | 0.672 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -19.5 | -170.2 | -156.8 | 168.1 | -74.3 | 160.3 | -2.9 | 114.1 | M50 Y52 | R48-M50 VanDerWaalsContact C-N 3.32Å; R48-M50 PolarHBondContact O-N 2.73Å; R48-Y52 HydrophobicContact CG-CE2 4.3Å; R48-Y52 WeakPolarHBondContact O-CD2 3.47Å; R48-Y52 WeakPolarHBondContact O-CE2 3.45Å |
| 49 | G | 56 | Low | 62.1 | Low | 25 Ų | 25 | 96.5 Ų | 96.5 | 26% | 0.258 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.4 | -21.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A47 Y52 A53 | A47-G49 PolarHBondContact O-N 3.01Å; G49-Y52 PolarHBondContact O-N 3.21Å; G49-A53 PolarHBondContact O-N 3.24Å |
| 50 | M | 59.2 | Low | 63.3 | Low | 124 Ų | 124 | 88 Ų | 88 | 61% | 0.611 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.9 | -42.3 | -174.2 | -173.5 | 170.2 | 67.5 | 0 | 0 | 112.7 | R48 Y52 A53 I54 | R48-M50 VanDerWaalsContact C-N 3.32Å; R48-M50 PolarHBondContact O-N 2.73Å; M50-Y52 VanDerWaalsContact C-N 3.31Å; M50-Y52 PolarHBondContact O-N 2.99Å; M50-A53 PolarHBondContact O-N 2.94Å; M50-I54 HydrophobicContact CG-CD1 3.98Å; M50-I54 VanDerWaalsContact O-CG1 3.32Å; M50-I54 WeakPolarHBondContact O-CG1 3.45Å; M50-I54 PolarHBondContact O-N 3.12Å |
| 51 | V | 63.6 | Low | 64.9 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 52% | 0.521 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | I54 S55 | V51-I54 PolarHBondContact O-N 3.1Å; V51-S55 PolarHBondContact O-N 3.08Å; V51-S55 PolarHBondContact O-OG 3.18Å; V51-S55 VanDerWaalsContact O-OG 3.09Å |
| 52 | Y | 67.6 | Low | 66.6 | Low | 59 Ų | 59 | 84.9 Ų | 84.9 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 176.6 | -50.4 | -36.9 | 0 | 0 | 0 | 112 | R48 G49 M50 I54 S55 N56 S110 W156 | R48-Y52 HydrophobicContact CG-CE2 4.3Å; R48-Y52 WeakPolarHBondContact O-CD2 3.47Å; R48-Y52 WeakPolarHBondContact O-CE2 3.45Å; G49-Y52 PolarHBondContact O-N 3.21Å; M50-Y52 VanDerWaalsContact C-N 3.31Å; M50-Y52 PolarHBondContact O-N 2.99Å; Y52-I54 VanDerWaalsContact C-N 3.32Å; Y52-I54 PolarHBondContact O-N 3.49Å; Y52-S55 PolarHBondContact O-N 3.5Å; Y52-N56 WeakPolarHBondContact O-CB 3.29Å; Y52-N56 PolarHBondContact O-N 3.23Å; Y52-N56 PolarHBondContact O-ND2 3.49Å; Y52-S110 VanDerWaalsContact CD1-OG 3.27Å; Y52-S110 WeakPolarHBondContact CD1-OG 3.5Å; Y52-S110 WeakPolarHBondContact CE1-OG 3.25Å; Y52-W156 HydrophobicContact CD1-CH2 4.01Å; Y52-W156 HydrophobicContact CE1-CH2 4.19Å; Y52-W156 HydrophobicContact CG-CH2 4.28Å |
| 53 | A | 73.6 | Confident | 68.4 | Low | 27 Ų | 27 | 78 Ų | 78 | 22% | 0.223 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G49 M50 N56 V57 | G49-A53 PolarHBondContact O-N 3.24Å; M50-A53 PolarHBondContact O-N 2.94Å; A53-N56 PolarHBondContact O-N 3.08Å; A53-V57 WeakPolarHBondContact O-CG2 3.33Å; A53-V57 PolarHBondContact O-N 3.48Å; A53-V57 VanDerWaalsContact O-N 3.09Å |
| 54 | I | 74.7 | Confident | 70.5 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 176.2 | -65.3 | 163.5 | 0 | 0 | 0 | 111 | M50 V51 Y52 N56 V57 V58 | M50-I54 HydrophobicContact CG-CD1 3.98Å; M50-I54 VanDerWaalsContact O-CG1 3.32Å; M50-I54 WeakPolarHBondContact O-CG1 3.45Å; M50-I54 PolarHBondContact O-N 3.12Å; V51-I54 PolarHBondContact O-N 3.1Å; Y52-I54 VanDerWaalsContact C-N 3.32Å; Y52-I54 PolarHBondContact O-N 3.49Å; I54-N56 VanDerWaalsContact C-N 3.29Å; I54-N56 PolarHBondContact O-N 3.49Å; I54-V57 PolarHBondContact O-N 3.25Å; I54-V58 HydrophobicContact CG2-CG2 4.34Å; I54-V58 WeakPolarHBondContact O-CG2 3.45Å; I54-V58 PolarHBondContact O-N 3.09Å |
| 55 | S | 76.4 | Confident | 72.9 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -37.2 | 178.1 | -60 | 0 | 0 | 0 | 0 | 113 | V51 Y52 T59 | V51-S55 PolarHBondContact O-N 3.08Å; V51-S55 PolarHBondContact O-OG 3.18Å; V51-S55 VanDerWaalsContact O-OG 3.09Å; Y52-S55 PolarHBondContact O-N 3.5Å; S55-T59 WeakPolarHBondContact O-CB 3.49Å; S55-T59 PolarHBondContact O-N 3.4Å; S55-T59 PolarHBondContact O-OG1 2.93Å |
| 56 | N | 81.5 | Confident | 75 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 176.2 | -67.6 | -31.5 | 0 | 0 | 0 | 111.9 | V33 H34 Y52 A53 I54 T59 L60 | V33-N56 WeakPolarHBondContact CG1-OD1 3.18Å; H34-N56 HydrophobicContact CB-CB 4.48Å; Y52-N56 WeakPolarHBondContact O-CB 3.29Å; Y52-N56 PolarHBondContact O-N 3.23Å; Y52-N56 PolarHBondContact O-ND2 3.49Å; A53-N56 PolarHBondContact O-N 3.08Å; I54-N56 VanDerWaalsContact C-N 3.29Å; I54-N56 PolarHBondContact O-N 3.49Å; N56-T59 PolarHBondContact O-N 3.08Å; N56-L60 PolarHBondContact O-N 2.92Å |
| 57 | V | 84.4 | Confident | 77.1 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | A53 I54 T59 L60 F61 | A53-V57 WeakPolarHBondContact O-CG2 3.33Å; A53-V57 PolarHBondContact O-N 3.48Å; A53-V57 VanDerWaalsContact O-N 3.09Å; I54-V57 PolarHBondContact O-N 3.25Å; V57-T59 PolarHBondContact O-N 3.33Å; V57-L60 WeakPolarHBondContact O-CB 3.31Å; V57-L60 PolarHBondContact O-N 2.98Å; V57-F61 HydrophobicContact CG1-CD2 3.76Å; V57-F61 HydrophobicContact CG1-CE2 3.58Å; V57-F61 VanDerWaalsContact O-CD2 3.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.47Å; V57-F61 PolarHBondContact O-N 3.49Å; V57-F61 VanDerWaalsContact O-N 3.08Å |
| 58 | V | 83.8 | Confident | 79.4 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 172.3 | 169 | 0 | 0 | 0 | 0 | 110.9 | I54 S62 M99 | I54-V58 HydrophobicContact CG2-CG2 4.34Å; I54-V58 WeakPolarHBondContact O-CG2 3.45Å; I54-V58 PolarHBondContact O-N 3.09Å; V58-S62 WeakPolarHBondContact O-CB 3.28Å; V58-S62 PolarHBondContact O-N 2.97Å; V58-M99 HydrophobicContact CB-CE 4.39Å; V58-M99 HydrophobicContact CG1-CE 3.96Å; V58-M99 HydrophobicContact CG1-CG 3.84Å; V58-M99 WeakPolarHBondContact O-CE 3.32Å |
| 59 | T | 84.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 177.9 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | S55 N56 V57 S62 G63 S103 L159 | S55-T59 WeakPolarHBondContact O-CB 3.49Å; S55-T59 PolarHBondContact O-N 3.4Å; S55-T59 PolarHBondContact O-OG1 2.93Å; N56-T59 PolarHBondContact O-N 3.08Å; V57-T59 PolarHBondContact O-N 3.33Å; T59-S62 WeakPolarHBondContact O-CB 3.36Å; T59-S62 PolarHBondContact O-N 3.48Å; T59-G63 PolarHBondContact O-N 3.41Å; T59-S103 PolarHBondContact OG1-OG 3.23Å; T59-L159 HydrophobicContact CG2-CD1 3.53Å; T59-L159 HydrophobicContact CG2-CD2 3.89Å; T59-L159 HydrophobicContact CG2-CG 3.8Å |
| 60 | L | 87.4 | Confident | 83.1 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.1 | -52 | 172.5 | -82.5 | 169 | 0 | 0 | 0 | 111.9 | F27 A31 H34 N56 V57 S62 G63 I64 | F27-L60 HydrophobicContact CD2-CD2 3.79Å; F27-L60 HydrophobicContact CE2-CD2 3.95Å; F27-L60 WeakPolarHBondContact O-CD2 3.47Å; A31-L60 HydrophobicContact CB-CD2 3.97Å; H34-L60 HydrophobicContact CB-CD1 4.21Å; N56-L60 PolarHBondContact O-N 2.92Å; V57-L60 WeakPolarHBondContact O-CB 3.31Å; V57-L60 PolarHBondContact O-N 2.98Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.33Å; L60-G63 PolarHBondContact O-N 3.43Å; L60-I64 WeakPolarHBondContact O-CG1 3.22Å; L60-I64 PolarHBondContact O-N 3.38Å; L60-I64 VanDerWaalsContact O-N 3.13Å |
| 61 | F | 89.4 | Confident | 84.6 | Confident | 119 Ų | 119 | 39.4 Ų | 39.4 | 52% | 0.522 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 176.6 | -76.7 | -67.5 | 0 | 0 | 0 | 112.3 | V57 G63 I64 L65 M99 | V57-F61 HydrophobicContact CG1-CD2 3.76Å; V57-F61 HydrophobicContact CG1-CE2 3.58Å; V57-F61 VanDerWaalsContact O-CD2 3.25Å; V57-F61 WeakPolarHBondContact O-CD2 3.47Å; V57-F61 PolarHBondContact O-N 3.49Å; V57-F61 VanDerWaalsContact O-N 3.08Å; F61-G63 VanDerWaalsContact C-N 3.32Å; F61-G63 PolarHBondContact O-N 3Å; F61-I64 PolarHBondContact O-N 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.36Å; F61-L65 WeakPolarHBondContact O-CG 3.32Å; F61-L65 PolarHBondContact O-N 3.39Å; F61-M99 HydrophobicContact CB-CE 3.44Å; F61-M99 VanDerWaalsContact CB-CE 3.44Å; F61-M99 HydrophobicContact CG-CE 4.45Å |
| 62 | S | 87.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | V58 T59 L60 G66 | V58-S62 WeakPolarHBondContact O-CB 3.28Å; V58-S62 PolarHBondContact O-N 2.97Å; T59-S62 WeakPolarHBondContact O-CB 3.36Å; T59-S62 PolarHBondContact O-N 3.48Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.33Å; S62-G66 PolarHBondContact O-N 3.43Å |
| 63 | G | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T59 L60 F61 G66 V67 | T59-G63 PolarHBondContact O-N 3.41Å; L60-G63 PolarHBondContact O-N 3.43Å; F61-G63 VanDerWaalsContact C-N 3.32Å; F61-G63 PolarHBondContact O-N 3Å; G63-G66 WeakPolarHBondContact O-CA 3.46Å; G63-G66 PolarHBondContact O-N 3.48Å; G63-G66 VanDerWaalsContact O-N 3.13Å; G63-V67 PolarHBondContact O-N 3.09Å |
| 64 | I | 92.4 | Very high | 87.7 | Confident | 72 Ų | 72 | 34.8 Ų | 34.8 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.8 | -63.6 | 167.5 | 0 | 0 | 0 | 110.9 | F27 L60 F61 G66 V67 I68 | F27-I64 HydrophobicContact CD2-CD1 4.18Å; F27-I64 HydrophobicContact CD2-CG1 3.81Å; F27-I64 HydrophobicContact CE2-CD1 4.05Å; F27-I64 HydrophobicContact CE2-CG1 4.12Å; L60-I64 WeakPolarHBondContact O-CG1 3.22Å; L60-I64 PolarHBondContact O-N 3.38Å; L60-I64 VanDerWaalsContact O-N 3.13Å; F61-I64 PolarHBondContact O-N 3.28Å; I64-G66 VanDerWaalsContact C-N 3.28Å; I64-G66 PolarHBondContact O-N 3.34Å; I64-V67 PolarHBondContact O-N 3.45Å; I64-I68 HydrophobicContact CG2-CD1 3.98Å; I64-I68 WeakPolarHBondContact O-CG1 3.35Å; I64-I68 PolarHBondContact O-N 3.26Å |
| 65 | L | 91.8 | Very high | 88.5 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -38.2 | 174.9 | -73.4 | 171.8 | 0 | 0 | 0 | 111.8 | F61 I68 V69 I92 V95 M99 | F61-L65 WeakPolarHBondContact O-CB 3.36Å; F61-L65 WeakPolarHBondContact O-CG 3.32Å; F61-L65 PolarHBondContact O-N 3.39Å; L65-I68 PolarHBondContact O-N 3.01Å; L65-V69 VanDerWaalsContact O-CG2 3.32Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.87Å; L65-I92 HydrophobicContact CD2-CG2 4.26Å; L65-V95 HydrophobicContact CD1-CG1 4.27Å; L65-M99 HydrophobicContact CD1-SD 3.7Å |
| 66 | G | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -48.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | V19 S62 G63 I64 I68 V69 G70 | V19-G66 VanDerWaalsContact CG1-O 3.31Å; V19-G66 WeakPolarHBondContact CG1-O 3.12Å; S62-G66 PolarHBondContact O-N 3.43Å; G63-G66 WeakPolarHBondContact O-CA 3.46Å; G63-G66 PolarHBondContact O-N 3.48Å; G63-G66 VanDerWaalsContact O-N 3.13Å; I64-G66 VanDerWaalsContact C-N 3.28Å; I64-G66 PolarHBondContact O-N 3.34Å; G66-I68 VanDerWaalsContact C-N 3.34Å; G66-I68 PolarHBondContact O-N 3.42Å; G66-V69 PolarHBondContact O-N 2.86Å; G66-G70 PolarHBondContact O-N 3.02Å |
| 67 | V | 93.1 | Very high | 89.1 | Confident | 23 Ų | 23 | 33.8 Ų | 33.8 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.8 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | G63 I64 G70 I71 | G63-V67 PolarHBondContact O-N 3.09Å; I64-V67 PolarHBondContact O-N 3.45Å; V67-G70 PolarHBondContact O-N 2.99Å; V67-I71 HydrophobicContact CG1-CD1 3.9Å; V67-I71 HydrophobicContact CG1-CG1 4.48Å; V67-I71 WeakPolarHBondContact O-CG1 3.3Å; V67-I71 PolarHBondContact O-N 2.7Å |
| 68 | I | 92.9 | Very high | 89.1 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 36% | 0.359 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 177 | -65.8 | 166.3 | 0 | 0 | 0 | 111.3 | I64 L65 G66 G70 I71 L72 I92 | I64-I68 HydrophobicContact CG2-CD1 3.98Å; I64-I68 WeakPolarHBondContact O-CG1 3.35Å; I64-I68 PolarHBondContact O-N 3.26Å; L65-I68 PolarHBondContact O-N 3.01Å; G66-I68 VanDerWaalsContact C-N 3.34Å; G66-I68 PolarHBondContact O-N 3.42Å; I68-G70 VanDerWaalsContact C-N 3.32Å; I68-G70 PolarHBondContact O-N 2.88Å; I68-I71 PolarHBondContact O-N 2.98Å; I68-L72 HydrophobicContact CG2-CD1 3.94Å; I68-L72 HydrophobicContact CG2-CG 4.45Å; I68-L72 VanDerWaalsContact O-CG 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.45Å; I68-L72 PolarHBondContact O-N 3.27Å; I68-I92 HydrophobicContact CG2-CD1 4.48Å; I68-I92 HydrophobicContact CG2-CG2 4.35Å |
| 69 | V | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.5 | 169 | 0 | 0 | 0 | 0 | 111 | L65 G66 L72 A73 I92 S93 | L65-V69 VanDerWaalsContact O-CG2 3.32Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.87Å; G66-V69 PolarHBondContact O-N 2.86Å; V69-L72 PolarHBondContact O-N 3.36Å; V69-A73 WeakPolarHBondContact O-CB 3.5Å; V69-A73 PolarHBondContact O-N 2.92Å; V69-I92 HydrophobicContact CG2-CB 4.41Å; V69-I92 HydrophobicContact CG2-CG2 3.7Å; V69-S93 WeakPolarHBondContact CG1-OG 3.39Å |
| 70 | G | 90.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G66 V67 I68 A73 I74 | G66-G70 PolarHBondContact O-N 3.02Å; V67-G70 PolarHBondContact O-N 2.99Å; I68-G70 VanDerWaalsContact C-N 3.32Å; I68-G70 PolarHBondContact O-N 2.88Å; G70-A73 WeakPolarHBondContact O-CB 3.46Å; G70-A73 PolarHBondContact O-N 3.33Å; G70-I74 WeakPolarHBondContact O-CG1 3.26Å; G70-I74 PolarHBondContact O-N 3.37Å; G70-I74 VanDerWaalsContact O-N 3.11Å |
| 71 | I | 92.3 | Very high | 87.8 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 41% | 0.41 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.1 | -67.9 | 166.1 | 0 | 0 | 0 | 110.4 | I20 V67 I68 A73 I74 I75 | I20-I71 HydrophobicContact CD1-CG1 3.92Å; I20-I71 HydrophobicContact CG1-CG1 4.39Å; V67-I71 HydrophobicContact CG1-CD1 3.9Å; V67-I71 HydrophobicContact CG1-CG1 4.48Å; V67-I71 WeakPolarHBondContact O-CG1 3.3Å; V67-I71 PolarHBondContact O-N 2.7Å; I68-I71 PolarHBondContact O-N 2.98Å; I71-A73 VanDerWaalsContact C-N 3.26Å; I71-A73 PolarHBondContact O-N 3.33Å; I71-I74 PolarHBondContact O-N 2.85Å; I71-I75 HydrophobicContact CG2-CD1 3.9Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.42Å |
| 72 | L | 90.8 | Very high | 87.5 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -35.2 | 177.3 | -68.6 | 170.5 | 0 | 0 | 0 | 111.8 | I68 V69 I75 L76 L85 L89 I92 | I68-L72 HydrophobicContact CG2-CD1 3.94Å; I68-L72 HydrophobicContact CG2-CG 4.45Å; I68-L72 VanDerWaalsContact O-CG 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.45Å; I68-L72 PolarHBondContact O-N 3.27Å; V69-L72 PolarHBondContact O-N 3.36Å; L72-I75 PolarHBondContact O-N 2.86Å; L72-L76 VanDerWaalsContact O-CB 3.31Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 PolarHBondContact O-N 2.67Å; L72-L85 HydrophobicContact CD2-CD1 3.79Å; L72-L89 VanDerWaalsContact C-CD1 3.46Å; L72-L89 HydrophobicContact CB-CB 4.49Å; L72-L89 HydrophobicContact CB-CD1 3.85Å; L72-L89 HydrophobicContact CB-CG 4.2Å; L72-I92 HydrophobicContact CD1-CD1 3.56Å |
| 73 | A | 88.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L12 V69 G70 I71 L76 S77 L89 | L12-A73 WeakPolarHBondContact CD2-O 3.43Å; V69-A73 WeakPolarHBondContact O-CB 3.5Å; V69-A73 PolarHBondContact O-N 2.92Å; G70-A73 WeakPolarHBondContact O-CB 3.46Å; G70-A73 PolarHBondContact O-N 3.33Å; I71-A73 VanDerWaalsContact C-N 3.26Å; I71-A73 PolarHBondContact O-N 3.33Å; A73-L76 PolarHBondContact O-N 3.27Å; A73-S77 PolarHBondContact O-N 2.92Å; A73-L89 VanDerWaalsContact CA-CD1 3.5Å; A73-L89 HydrophobicContact CB-CD1 4.01Å |
| 74 | I | 89.9 | Confident | 87.2 | Confident | 47 Ų | 47 | 70 Ų | 70 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 174.5 | -65.6 | 173 | 0 | 0 | 0 | 110.8 | I20 G70 I71 L76 S77 K78 | I20-I74 HydrophobicContact CD1-CD1 3.57Å; G70-I74 WeakPolarHBondContact O-CG1 3.26Å; G70-I74 PolarHBondContact O-N 3.37Å; G70-I74 VanDerWaalsContact O-N 3.11Å; I71-I74 PolarHBondContact O-N 2.85Å; I74-L76 VanDerWaalsContact C-N 3.32Å; I74-L76 PolarHBondContact O-N 2.88Å; I74-S77 WeakPolarHBondContact O-CB 3.38Å; I74-S77 PolarHBondContact O-N 3.34Å; I74-K78 PolarHBondContact O-N 3.02Å |
| 75 | I | 90.4 | Very high | 87 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.4 | -60.3 | 168.1 | 0 | 0 | 0 | 110.4 | I71 L72 K78 N79 L85 | I71-I75 HydrophobicContact CG2-CD1 3.9Å; I71-I75 WeakPolarHBondContact O-CG1 3.4Å; I71-I75 PolarHBondContact O-N 3.42Å; L72-I75 PolarHBondContact O-N 2.86Å; I75-K78 PolarHBondContact O-N 2.9Å; I75-N79 WeakPolarHBondContact O-CB 3.17Å; I75-N79 PolarHBondContact O-N 3.39Å; I75-L85 HydrophobicContact CB-CD2 4.22Å; I75-L85 HydrophobicContact CG2-CD1 4.45Å; I75-L85 HydrophobicContact CG2-CD2 3.68Å |
| 76 | L | 86.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 178 | -175.3 | 63.5 | 0 | 0 | 0 | 112.5 | L12 L72 A73 I74 K78 N79 K80 L85 T86 L89 | L12-L76 HydrophobicContact CD2-CB 4.27Å; L12-L76 HydrophobicContact CD2-CD2 4.39Å; L12-L76 HydrophobicContact CD2-CG 4.27Å; L72-L76 VanDerWaalsContact O-CB 3.31Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 PolarHBondContact O-N 2.67Å; A73-L76 PolarHBondContact O-N 3.27Å; I74-L76 VanDerWaalsContact C-N 3.32Å; I74-L76 PolarHBondContact O-N 2.88Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.26Å; L76-N79 CarbonylContact O-C 3.39Å; L76-N79 PolarHBondContact O-N 3.27Å; L76-K80 PolarHBondContact O-N 3.01Å; L76-L85 HydrophobicContact CB-CD2 3.89Å; L76-L85 HydrophobicContact CB-CG 4.35Å; L76-L85 HydrophobicContact CD1-CB 4.41Å; L76-L85 HydrophobicContact CD1-CD2 3.97Å; L76-L85 HydrophobicContact CD1-CG 4.19Å; L76-T86 HydrophobicContact CD2-CG2 4.45Å; L76-L89 HydrophobicContact CB-CD1 4.31Å; L76-L89 HydrophobicContact CD2-CD1 3.96Å |
| 77 | S | 84.9 | Confident | 86.7 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -42 | 171.8 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | P9 A73 I74 K80 | P9-S77 PolarHBondContact O-OG 3.46Å; A73-S77 PolarHBondContact O-N 2.92Å; I74-S77 WeakPolarHBondContact O-CB 3.38Å; I74-S77 PolarHBondContact O-N 3.34Å; S77-K80 WeakPolarHBondContact O-CG 3.41Å |
| 78 | K | 85.1 | Confident | 86.6 | Confident | 188 Ų | 188 | 74.5 Ų | 74.5 | 82% | 0.817 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75 | -33.5 | 175.2 | -75.8 | -173 | 165.2 | -177.4 | 0 | 113.8 | I74 I75 L76 | I74-K78 PolarHBondContact O-N 3.02Å; I75-K78 PolarHBondContact O-N 2.9Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 3.26Å |
| 79 | N | 82.6 | Confident | 86.5 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | trans | -117.7 | 54.2 | -173.3 | -163.6 | -4.3 | 0 | 0 | 0 | 113.3 | I75 L76 K81 S82 | I75-N79 WeakPolarHBondContact O-CB 3.17Å; I75-N79 PolarHBondContact O-N 3.39Å; L76-N79 CarbonylContact O-C 3.39Å; L76-N79 PolarHBondContact O-N 3.27Å; N79-K81 PolarHBondContact O-N 2.89Å; N79-S82 PolarHBondContact O-N 2.96Å; N79-S82 VanDerWaalsContact O-N 3.1Å; N79-S82 PolarHBondContact O-OG 3.41Å | ||
| 80 | K | 71.8 | Confident | 86.4 | Confident | 106 Ų | 106 | 73.2 Ų | 73.2 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -15.7 | -173.6 | -67 | -171.4 | 124.9 | -170.2 | 0 | 116.6 | E7 P9 L76 S77 | E7-K80 PolarHBondContact O-NZ 3.48Å; P9-K80 HydrophobicContact CB-CD 4.26Å; L76-K80 PolarHBondContact O-N 3.01Å; S77-K80 WeakPolarHBondContact O-CG 3.41Å |
| 81 | K | 72.1 | Confident | 86.4 | Confident | 200 Ų | 200 | 75.7 Ų | 75.7 | 87% | 0.87 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.3 | -178.8 | -65.3 | -174.9 | 179.2 | 178.4 | 0 | 114 | N79 K83 | N79-K81 PolarHBondContact O-N 2.89Å; K81-K83 PolarHBondContact O-N 3.29Å |
| 82 | S | 83.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 74 Ų | 74 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | trans | -87.3 | 89.6 | -169.1 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | N79 R84 L85 T86 | N79-S82 PolarHBondContact O-N 2.96Å; N79-S82 VanDerWaalsContact O-N 3.1Å; N79-S82 PolarHBondContact O-OG 3.41Å; S82-R84 PolarHBondContact O-N 3.46Å; S82-R84 VanDerWaalsContact O-N 3.12Å; S82-L85 WeakPolarHBondContact O-CB 3.33Å; S82-L85 PolarHBondContact O-N 3.21Å; S82-L85 VanDerWaalsContact OG-CB 3.27Å; S82-L85 WeakPolarHBondContact OG-CB 3.34Å; S82-T86 PolarHBondContact O-N 3.17Å; S82-T86 PolarHBondContact O-OG1 2.72Å | ||
| 83 | K | 83.8 | Confident | 86.4 | Confident | 176 Ų | 176 | 72.8 Ų | 72.8 | 77% | 0.765 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -51.2 | -37.5 | 178.4 | -66.8 | -176.1 | 178.7 | 179.9 | 0 | 114.5 | K81 T86 W87 | K81-K83 PolarHBondContact O-N 3.29Å; K83-T86 PolarHBondContact O-N 3.32Å; K83-W87 PolarHBondContact O-N 2.93Å; K83-W87 VanDerWaalsContact O-N 3.1Å |
| 84 | R | 87.3 | Confident | 86.5 | Confident | 230 Ų | 230 | 76.3 Ų | 76.3 | 87% | 0.868 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 178 | -67.8 | -174.3 | -177.3 | 176.6 | 1.2 | 112.1 | S82 W87 S88 | S82-R84 PolarHBondContact O-N 3.46Å; S82-R84 VanDerWaalsContact O-N 3.12Å; R84-W87 PolarHBondContact O-N 3.11Å; R84-S88 PolarHBondContact O-N 3.5Å |
| 85 | L | 86.9 | Confident | 86.6 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.141 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 179.3 | -174.5 | 65.4 | 0 | 0 | 0 | 111 | L72 I75 L76 S82 W87 S88 L89 | L72-L85 HydrophobicContact CD2-CD1 3.79Å; I75-L85 HydrophobicContact CB-CD2 4.22Å; I75-L85 HydrophobicContact CG2-CD1 4.45Å; I75-L85 HydrophobicContact CG2-CD2 3.68Å; L76-L85 HydrophobicContact CB-CD2 3.89Å; L76-L85 HydrophobicContact CB-CG 4.35Å; L76-L85 HydrophobicContact CD1-CB 4.41Å; L76-L85 HydrophobicContact CD1-CD2 3.97Å; L76-L85 HydrophobicContact CD1-CG 4.19Å; S82-L85 WeakPolarHBondContact O-CB 3.33Å; S82-L85 PolarHBondContact O-N 3.21Å; S82-L85 VanDerWaalsContact OG-CB 3.27Å; S82-L85 WeakPolarHBondContact OG-CB 3.34Å; L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 PolarHBondContact O-N 3.09Å; L85-S88 PolarHBondContact O-N 2.89Å; L85-L89 WeakPolarHBondContact O-CB 3.31Å; L85-L89 PolarHBondContact O-N 3Å |
| 86 | T | 87.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.6 | -38.4 | 0 | 0 | 0 | 0 | 111.9 | L76 S82 K83 F90 C177 F180 L181 | L76-T86 HydrophobicContact CD2-CG2 4.45Å; S82-T86 PolarHBondContact O-N 3.17Å; S82-T86 PolarHBondContact O-OG1 2.72Å; K83-T86 PolarHBondContact O-N 3.32Å; T86-F90 VanDerWaalsContact O-CB 3.29Å; T86-F90 WeakPolarHBondContact O-CB 3.48Å; T86-F90 PolarHBondContact O-N 3.01Å; T86-C177 HydrophobicContact CG2-CB 4.16Å; T86-F180 HydrophobicContact CG2-CB 3.92Å; T86-F180 HydrophobicContact CG2-CD2 4.39Å; T86-L181 HydrophobicContact CG2-CD1 3.41Å; T86-L181 VanDerWaalsContact CG2-CD1 3.41Å |
| 87 | W | 89.5 | Confident | 86.8 | Confident | 143 Ų | 143 | 74.8 Ų | 74.8 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 173 | -106.1 | 101.5 | 0 | 0 | 0 | 112.8 | K83 R84 L85 F90 S91 L181 | K83-W87 PolarHBondContact O-N 2.93Å; K83-W87 VanDerWaalsContact O-N 3.1Å; R84-W87 PolarHBondContact O-N 3.11Å; L85-W87 VanDerWaalsContact C-N 3.33Å; L85-W87 PolarHBondContact O-N 3.09Å; W87-F90 PolarHBondContact O-N 3.31Å; W87-S91 PolarHBondContact O-N 2.92Å; W87-S91 PolarHBondContact O-OG 3.43Å; W87-L181 HydrophobicContact CD2-CD2 3.95Å; W87-L181 HydrophobicContact CG-CD2 4.07Å; W87-L181 HydrophobicContact CZ2-CD2 4.17Å |
| 88 | S | 91.1 | Very high | 87 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 176.1 | -180 | 0 | 0 | 0 | 0 | 111.7 | R84 L85 F90 S91 I92 | R84-S88 PolarHBondContact O-N 3.5Å; L85-S88 PolarHBondContact O-N 2.89Å; S88-F90 VanDerWaalsContact C-N 3.35Å; S88-F90 PolarHBondContact O-N 3.47Å; S88-S91 PolarHBondContact O-N 2.68Å; S88-I92 WeakPolarHBondContact O-CG1 3.38Å; S88-I92 PolarHBondContact O-N 3.35Å |
| 89 | L | 90 | Very high | 87.2 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.9 | -163.5 | 152.8 | 0 | 0 | 0 | 111.5 | L72 A73 L76 L85 S93 C173 C177 | L72-L89 VanDerWaalsContact C-CD1 3.46Å; L72-L89 HydrophobicContact CB-CB 4.49Å; L72-L89 HydrophobicContact CB-CD1 3.85Å; L72-L89 HydrophobicContact CB-CG 4.2Å; A73-L89 VanDerWaalsContact CA-CD1 3.5Å; A73-L89 HydrophobicContact CB-CD1 4.01Å; L76-L89 HydrophobicContact CB-CD1 4.31Å; L76-L89 HydrophobicContact CD2-CD1 3.96Å; L85-L89 WeakPolarHBondContact O-CB 3.31Å; L85-L89 PolarHBondContact O-N 3Å; L89-S93 WeakPolarHBondContact CD2-OG 3.33Å; L89-S93 WeakPolarHBondContact O-CB 3.49Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 3.21Å; L89-C173 HydrophobicContact CD2-CB 4.03Å; L89-C177 VanDerWaalsContact CD2-SG 3.51Å |
| 90 | F | 89.7 | Confident | 87.4 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57 | -53.9 | 174.9 | -179.6 | -105.2 | 0 | 0 | 0 | 111.7 | T86 W87 S88 I92 S93 L94 L174 C177 A178 L183 | T86-F90 VanDerWaalsContact O-CB 3.29Å; T86-F90 WeakPolarHBondContact O-CB 3.48Å; T86-F90 PolarHBondContact O-N 3.01Å; W87-F90 PolarHBondContact O-N 3.31Å; S88-F90 VanDerWaalsContact C-N 3.35Å; S88-F90 PolarHBondContact O-N 3.47Å; F90-I92 PolarHBondContact O-N 3.26Å; F90-S93 PolarHBondContact O-N 3.03Å; F90-L94 PolarHBondContact O-N 2.92Å; F90-L174 HydrophobicContact CD2-CD2 3.7Å; F90-L174 HydrophobicContact CE2-CD2 3.79Å; F90-L174 HydrophobicContact CG-CD2 4.42Å; F90-L174 VanDerWaalsContact O-CD2 3.3Å; F90-L174 WeakPolarHBondContact O-CD2 3.29Å; F90-C177 HydrophobicContact CB-CB 3.92Å; F90-C177 HydrophobicContact CD2-CB 3.95Å; F90-C177 HydrophobicContact CG-CB 4.41Å; F90-A178 HydrophobicContact CE2-CB 4.15Å; F90-L183 HydrophobicContact CE1-CD1 4.38Å; F90-L183 HydrophobicContact CE2-CD1 4.49Å; F90-L183 HydrophobicContact CZ-CD1 4.12Å |
| 91 | S | 90.8 | Very high | 88.2 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 38% | 0.378 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | -178.7 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | W87 S88 L94 V95 | W87-S91 PolarHBondContact O-N 2.92Å; W87-S91 PolarHBondContact O-OG 3.43Å; S88-S91 PolarHBondContact O-N 2.68Å; S91-L94 WeakPolarHBondContact O-CB 3.23Å; S91-L94 PolarHBondContact O-N 3.33Å; S91-V95 PolarHBondContact O-N 3.31Å |
| 92 | I | 90.9 | Very high | 88.9 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.9 | -37 | -178.7 | -61.6 | 167.6 | 0 | 0 | 0 | 110.7 | L65 I68 V69 L72 S88 F90 L94 V95 S96 | L65-I92 HydrophobicContact CD2-CG2 4.26Å; I68-I92 HydrophobicContact CG2-CD1 4.48Å; I68-I92 HydrophobicContact CG2-CG2 4.35Å; V69-I92 HydrophobicContact CG2-CB 4.41Å; V69-I92 HydrophobicContact CG2-CG2 3.7Å; L72-I92 HydrophobicContact CD1-CD1 3.56Å; S88-I92 WeakPolarHBondContact O-CG1 3.38Å; S88-I92 PolarHBondContact O-N 3.35Å; F90-I92 PolarHBondContact O-N 3.26Å; I92-L94 VanDerWaalsContact C-N 3.28Å; I92-L94 PolarHBondContact O-N 3Å; I92-V95 PolarHBondContact O-N 2.88Å; I92-S96 VanDerWaalsContact O-CB 3.28Å; I92-S96 WeakPolarHBondContact O-CB 3.33Å; I92-S96 PolarHBondContact O-N 3Å |
| 93 | S | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -31.3 | 174.6 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | V69 L89 F90 S97 | V69-S93 WeakPolarHBondContact CG1-OG 3.39Å; L89-S93 WeakPolarHBondContact CD2-OG 3.33Å; L89-S93 WeakPolarHBondContact O-CB 3.49Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 3.21Å; F90-S93 PolarHBondContact O-N 3.03Å; S93-S97 VanDerWaalsContact O-CB 3.29Å; S93-S97 WeakPolarHBondContact O-CB 3.38Å; S93-S97 PolarHBondContact O-N 3.28Å |
| 94 | L | 91 | Very high | 89.2 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 40% | 0.398 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -51.2 | 177 | -176.5 | 60.8 | 0 | 0 | 0 | 110.6 | F90 S91 I92 S96 S97 L98 L174 | F90-L94 PolarHBondContact O-N 2.92Å; S91-L94 WeakPolarHBondContact O-CB 3.23Å; S91-L94 PolarHBondContact O-N 3.33Å; I92-L94 VanDerWaalsContact C-N 3.28Å; I92-L94 PolarHBondContact O-N 3Å; L94-S96 VanDerWaalsContact C-N 3.35Å; L94-S96 PolarHBondContact O-N 3.35Å; L94-S97 PolarHBondContact O-N 2.89Å; L94-L98 HydrophobicContact CD1-CD1 4.4Å; L94-L98 HydrophobicContact CG-CD1 4.28Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 3.43Å; L94-L174 HydrophobicContact CB-CD2 3.91Å; L94-L174 HydrophobicContact CD1-CD1 4.34Å |
| 95 | V | 92.7 | Very high | 89.2 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | L65 S91 I92 S97 L98 M99 | L65-V95 HydrophobicContact CD1-CG1 4.27Å; S91-V95 PolarHBondContact O-N 3.31Å; I92-V95 PolarHBondContact O-N 2.88Å; V95-S97 PolarHBondContact O-N 3.47Å; V95-L98 PolarHBondContact O-N 3.11Å; V95-M99 WeakPolarHBondContact O-CB 3.48Å; V95-M99 PolarHBondContact O-N 3.43Å |
| 96 | S | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | I92 L94 M99 A100 S170 | I92-S96 VanDerWaalsContact O-CB 3.28Å; I92-S96 WeakPolarHBondContact O-CB 3.33Å; I92-S96 PolarHBondContact O-N 3Å; L94-S96 VanDerWaalsContact C-N 3.35Å; L94-S96 PolarHBondContact O-N 3.35Å; S96-M99 PolarHBondContact O-N 2.99Å; S96-A100 VanDerWaalsContact O-CB 3.23Å; S96-A100 WeakPolarHBondContact O-CB 3.34Å; S96-A100 PolarHBondContact O-N 3.03Å; S96-S170 PolarHBondContact OG-OG 3.41Å |
| 97 | S | 89.5 | Confident | 88.8 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.1 | -40.3 | -178.9 | -167.8 | 0 | 0 | 0 | 0 | 112.6 | S93 L94 V95 G101 | S93-S97 VanDerWaalsContact O-CB 3.29Å; S93-S97 WeakPolarHBondContact O-CB 3.38Å; S93-S97 PolarHBondContact O-N 3.28Å; L94-S97 PolarHBondContact O-N 2.89Å; V95-S97 PolarHBondContact O-N 3.47Å; S97-G101 PolarHBondContact O-N 3Å |
| 98 | L | 90.8 | Very high | 88.6 | Confident | 120 Ų | 120 | 41.7 Ų | 41.7 | 63% | 0.628 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.6 | -42.8 | 176.2 | -69.7 | 171.2 | 0 | 0 | 0 | 111.1 | L94 V95 G101 G102 | L94-L98 HydrophobicContact CD1-CD1 4.4Å; L94-L98 HydrophobicContact CG-CD1 4.28Å; L94-L98 WeakPolarHBondContact O-CG 3.44Å; L94-L98 PolarHBondContact O-N 3.43Å; V95-L98 PolarHBondContact O-N 3.11Å; L98-G101 PolarHBondContact O-N 3.41Å; L98-G102 PolarHBondContact O-N 3.45Å |
| 99 | M | 88.7 | Confident | 88.3 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.7 | -41.3 | -178.5 | -164.6 | 162.9 | 177.7 | 0 | 0 | 112.3 | V58 F61 L65 V95 S96 S103 | V58-M99 HydrophobicContact CB-CE 4.39Å; V58-M99 HydrophobicContact CG1-CE 3.96Å; V58-M99 HydrophobicContact CG1-CG 3.84Å; V58-M99 WeakPolarHBondContact O-CE 3.32Å; F61-M99 HydrophobicContact CB-CE 3.44Å; F61-M99 VanDerWaalsContact CB-CE 3.44Å; F61-M99 HydrophobicContact CG-CE 4.45Å; L65-M99 HydrophobicContact CD1-SD 3.7Å; V95-M99 WeakPolarHBondContact O-CB 3.48Å; V95-M99 PolarHBondContact O-N 3.43Å; S96-M99 PolarHBondContact O-N 2.99Å; M99-S103 WeakPolarHBondContact O-CB 3.46Å; M99-S103 PolarHBondContact O-N 3.01Å |
| 100 | A | 86.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | S96 S103 T104 M167 | S96-A100 VanDerWaalsContact O-CB 3.23Å; S96-A100 WeakPolarHBondContact O-CB 3.34Å; S96-A100 PolarHBondContact O-N 3.03Å; A100-S103 PolarHBondContact O-N 3.38Å; A100-T104 WeakPolarHBondContact O-CB 3.3Å; A100-T104 PolarHBondContact O-N 3.44Å; A100-T104 PolarHBondContact O-OG1 3.48Å; A100-M167 HydrophobicContact CB-CB 4.2Å |
| 101 | G | 87.9 | Confident | 87.4 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S97 L98 S103 T104 I105 | S97-G101 PolarHBondContact O-N 3Å; L98-G101 PolarHBondContact O-N 3.41Å; G101-S103 PolarHBondContact O-N 2.95Å; G101-T104 PolarHBondContact O-N 3.23Å; G101-I105 WeakPolarHBondContact O-CG1 3.4Å; G101-I105 PolarHBondContact O-N 2.93Å |
| 102 | G | 87.3 | Confident | 87 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L98 I105 G106 | L98-G102 PolarHBondContact O-N 3.45Å; G102-I105 PolarHBondContact O-N 2.88Å; G102-G106 PolarHBondContact O-N 2.88Å |
| 103 | S | 85.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.3 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | T59 M99 A100 G101 I105 G106 L107 | T59-S103 PolarHBondContact OG1-OG 3.23Å; M99-S103 WeakPolarHBondContact O-CB 3.46Å; M99-S103 PolarHBondContact O-N 3.01Å; A100-S103 PolarHBondContact O-N 3.38Å; G101-S103 PolarHBondContact O-N 2.95Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 3.49Å; S103-G106 PolarHBondContact O-N 3.46Å; S103-L107 WeakPolarHBondContact O-CB 3.31Å; S103-L107 VanDerWaalsContact O-CG 3.31Å; S103-L107 WeakPolarHBondContact O-CG 3.31Å; S103-L107 PolarHBondContact O-N 3.16Å |
| 104 | T | 87.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | A100 G101 F108 I160 C163 | A100-T104 WeakPolarHBondContact O-CB 3.3Å; A100-T104 PolarHBondContact O-N 3.44Å; A100-T104 PolarHBondContact O-OG1 3.48Å; G101-T104 PolarHBondContact O-N 3.23Å; T104-F108 WeakPolarHBondContact O-CB 3.49Å; T104-F108 PolarHBondContact O-N 2.9Å; T104-I160 HydrophobicContact CG2-CG2 4.21Å; T104-C163 WeakPolarHBondContact OG1-CB 3.49Å |
| 105 | I | 88.1 | Confident | 84.5 | Confident | 114 Ų | 114 | 47.3 Ų | 47.3 | 59% | 0.585 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 176.9 | -64.3 | 161.3 | 0 | 0 | 0 | 110.8 | G101 G102 S103 F108 V109 | G101-I105 WeakPolarHBondContact O-CG1 3.4Å; G101-I105 PolarHBondContact O-N 2.93Å; G102-I105 PolarHBondContact O-N 2.88Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-I105 PolarHBondContact O-N 3.49Å; I105-F108 PolarHBondContact O-N 3.02Å; I105-V109 HydrophobicContact CG2-CG2 4.49Å; I105-V109 WeakPolarHBondContact O-CG2 3.45Å; I105-V109 PolarHBondContact O-N 3.43Å |
| 106 | G | 83.7 | Confident | 83.6 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60 | -50 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G102 S103 F108 V109 S110 | G102-G106 PolarHBondContact O-N 2.88Å; S103-G106 PolarHBondContact O-N 3.46Å; G106-F108 VanDerWaalsContact C-N 3.34Å; G106-F108 PolarHBondContact O-N 2.95Å; G106-V109 PolarHBondContact O-N 3.38Å; G106-S110 WeakPolarHBondContact O-CB 3.28Å; G106-S110 PolarHBondContact O-N 3.27Å |
| 107 | L | 81.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.4 | -70.3 | 171.3 | 0 | 0 | 0 | 112.1 | S103 S110 L111 L159 I160 | S103-L107 WeakPolarHBondContact O-CB 3.31Å; S103-L107 VanDerWaalsContact O-CG 3.31Å; S103-L107 WeakPolarHBondContact O-CG 3.31Å; S103-L107 PolarHBondContact O-N 3.16Å; L107-S110 WeakPolarHBondContact O-CB 3.35Å; L107-L111 VanDerWaalsContact O-CB 3.25Å; L107-L111 WeakPolarHBondContact O-CB 3.35Å; L107-L111 PolarHBondContact O-N 3.18Å; L107-L159 HydrophobicContact CD1-CB 4.42Å; L107-L159 HydrophobicContact CD1-CD2 3.72Å; L107-L159 HydrophobicContact CD1-CG 3.89Å; L107-L159 HydrophobicContact CD2-CD2 4.38Å; L107-I160 HydrophobicContact CB-CD1 4.11Å; L107-I160 HydrophobicContact CB-CG1 3.72Å; L107-I160 HydrophobicContact CD1-CG1 4.48Å |
| 108 | F | 85.6 | Confident | 81.1 | Confident | 118 Ų | 118 | 52.6 Ų | 52.6 | 52% | 0.518 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.8 | -48.5 | 177.3 | -177.4 | -98.8 | 0 | 0 | 0 | 112.4 | T104 I105 G106 S110 L111 V112 | T104-F108 WeakPolarHBondContact O-CB 3.49Å; T104-F108 PolarHBondContact O-N 2.9Å; I105-F108 PolarHBondContact O-N 3.02Å; G106-F108 VanDerWaalsContact C-N 3.34Å; G106-F108 PolarHBondContact O-N 2.95Å; F108-S110 VanDerWaalsContact C-N 3.26Å; F108-S110 PolarHBondContact O-N 3.26Å; F108-L111 PolarHBondContact O-N 3.11Å; F108-V112 HydrophobicContact CD1-CG2 4.29Å; F108-V112 HydrophobicContact CE1-CG2 3.89Å; F108-V112 HydrophobicContact CE2-CG2 4.24Å; F108-V112 HydrophobicContact CZ-CG2 3.87Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 2.97Å |
| 109 | V | 84.3 | Confident | 79.5 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110.5 | I105 G106 V112 K113 | I105-V109 HydrophobicContact CG2-CG2 4.49Å; I105-V109 WeakPolarHBondContact O-CG2 3.45Å; I105-V109 PolarHBondContact O-N 3.43Å; G106-V109 PolarHBondContact O-N 3.38Å; V109-V112 PolarHBondContact O-N 3.42Å; V109-K113 HydrophobicContact CG1-CD 4.47Å; V109-K113 WeakPolarHBondContact O-CB 3.43Å; V109-K113 WeakPolarHBondContact O-CG 3.25Å; V109-K113 PolarHBondContact O-N 3.34Å |
| 110 | S | 79.4 | Confident | 77.7 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | Y52 G106 L107 F108 T114 W156 | Y52-S110 VanDerWaalsContact CD1-OG 3.27Å; Y52-S110 WeakPolarHBondContact CD1-OG 3.5Å; Y52-S110 WeakPolarHBondContact CE1-OG 3.25Å; G106-S110 WeakPolarHBondContact O-CB 3.28Å; G106-S110 PolarHBondContact O-N 3.27Å; L107-S110 WeakPolarHBondContact O-CB 3.35Å; F108-S110 VanDerWaalsContact C-N 3.26Å; F108-S110 PolarHBondContact O-N 3.26Å; S110-T114 WeakPolarHBondContact O-CB 3.11Å; S110-T114 PolarHBondContact O-N 3.37Å; S110-T114 PolarHBondContact O-OG1 3.22Å; S110-W156 WeakPolarHBondContact OG-CH2 3.33Å; S110-W156 WeakPolarHBondContact OG-CZ3 3.45Å |
| 111 | L | 81.8 | Confident | 75.8 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 177 | 178.6 | 62.2 | 0 | 0 | 0 | 111.6 | L107 F108 T114 I115 I153 W156 V157 I160 | L107-L111 VanDerWaalsContact O-CB 3.25Å; L107-L111 WeakPolarHBondContact O-CB 3.35Å; L107-L111 PolarHBondContact O-N 3.18Å; F108-L111 PolarHBondContact O-N 3.11Å; L111-T114 WeakPolarHBondContact O-CB 3.47Å; L111-T114 PolarHBondContact O-N 2.94Å; L111-I115 HydrophobicContact CD1-CD1 4.04Å; L111-I115 HydrophobicContact CD1-CG1 4.33Å; L111-I115 HydrophobicContact CG-CD1 3.96Å; L111-I115 WeakPolarHBondContact O-CG1 3.07Å; L111-I115 PolarHBondContact O-N 3.24Å; L111-I153 HydrophobicContact CD1-CG1 4.2Å; L111-I153 HydrophobicContact CD1-CG2 4.2Å; L111-W156 HydrophobicContact CB-CE3 4.23Å; L111-W156 HydrophobicContact CD1-CE3 4.45Å; L111-V157 HydrophobicContact CD2-CG2 3.84Å; L111-I160 HydrophobicContact CB-CD1 4.32Å; L111-I160 HydrophobicContact CD2-CD1 3.75Å |
| 112 | V | 82.8 | Confident | 73.8 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 179.3 | 172 | 0 | 0 | 0 | 0 | 111.5 | F108 V109 T114 I115 I116 | F108-V112 HydrophobicContact CD1-CG2 4.29Å; F108-V112 HydrophobicContact CE1-CG2 3.89Å; F108-V112 HydrophobicContact CE2-CG2 4.24Å; F108-V112 HydrophobicContact CZ-CG2 3.87Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 2.97Å; V109-V112 PolarHBondContact O-N 3.42Å; V112-T114 VanDerWaalsContact C-N 3.26Å; V112-T114 PolarHBondContact O-N 3.02Å; V112-I115 PolarHBondContact O-N 2.95Å; V112-I116 HydrophobicContact CG1-CD1 3.72Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.31Å; V112-I116 PolarHBondContact O-N 2.82Å |
| 113 | K | 74.6 | Confident | 72 | Confident | 111 Ų | 111 | 70 Ų | 70 | 48% | 0.483 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 172.8 | -76.9 | -169.2 | 175 | -167.3 | 0 | 111.3 | V109 N117 E328 | V109-K113 HydrophobicContact CG1-CD 4.47Å; V109-K113 WeakPolarHBondContact O-CB 3.43Å; V109-K113 WeakPolarHBondContact O-CG 3.25Å; V109-K113 PolarHBondContact O-N 3.34Å; K113-N117 VanDerWaalsContact O-CB 3.32Å; K113-N117 WeakPolarHBondContact O-CB 3.32Å; K113-N117 PolarHBondContact O-N 2.95Å; K113-N117 PolarHBondContact O-OD1 3.31Å; K113-E328 IonicContact NZ-OE1 3.82Å |
| 114 | T | 71.6 | Confident | 70 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 16% | 0.16 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 178.6 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | S110 L111 V112 G118 Y149 | S110-T114 WeakPolarHBondContact O-CB 3.11Å; S110-T114 PolarHBondContact O-N 3.37Å; S110-T114 PolarHBondContact O-OG1 3.22Å; L111-T114 WeakPolarHBondContact O-CB 3.47Å; L111-T114 PolarHBondContact O-N 2.94Å; V112-T114 VanDerWaalsContact C-N 3.26Å; V112-T114 PolarHBondContact O-N 3.02Å; T114-G118 WeakPolarHBondContact O-CA 3.36Å; T114-G118 PolarHBondContact O-N 3.47Å; T114-Y149 HydrophobicContact CG2-CE2 3.62Å; T114-Y149 WeakPolarHBondContact CG2-OH 3.32Å; T114-Y149 PolarHBondContact O-OH 3.37Å |
| 115 | I | 74.3 | Confident | 68 | Low | 92 Ų | 92 | 81.5 Ų | 81.5 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 175.2 | -67.4 | 163.8 | 0 | 0 | 0 | 111.4 | L111 V112 N117 G119 | L111-I115 HydrophobicContact CD1-CD1 4.04Å; L111-I115 HydrophobicContact CD1-CG1 4.33Å; L111-I115 HydrophobicContact CG-CD1 3.96Å; L111-I115 WeakPolarHBondContact O-CG1 3.07Å; L111-I115 PolarHBondContact O-N 3.24Å; V112-I115 PolarHBondContact O-N 2.95Å; I115-N117 PolarHBondContact O-N 3.45Å; I115-G119 PolarHBondContact O-N 3.15Å |
| 116 | I | 73.4 | Confident | 66.1 | Low | 112 Ų | 112 | 80.6 Ų | 80.6 | 57% | 0.574 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | -177.5 | -67.4 | 168.4 | 0 | 0 | 0 | 111.4 | V112 | V112-I116 HydrophobicContact CG1-CD1 3.72Å; V112-I116 VanDerWaalsContact O-CG1 3.31Å; V112-I116 WeakPolarHBondContact O-CG1 3.31Å; V112-I116 PolarHBondContact O-N 2.82Å |
| 117 | N | 66.7 | Low | 64.1 | Low | 86 Ų | 86 | 89.7 Ų | 89.7 | 46% | 0.46 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -81.2 | -39.3 | -178.5 | -67.6 | 29.6 | 0 | 0 | 0 | 111.7 | K113 I115 R120 V121 | K113-N117 VanDerWaalsContact O-CB 3.32Å; K113-N117 WeakPolarHBondContact O-CB 3.32Å; K113-N117 PolarHBondContact O-N 2.95Å; K113-N117 PolarHBondContact O-OD1 3.31Å; I115-N117 PolarHBondContact O-N 3.45Å; N117-R120 PolarHBondContact O-N 3.2Å; N117-V121 WeakPolarHBondContact O-CG2 3.39Å; N117-V121 PolarHBondContact O-N 3.1Å |
| 118 | G | 61.3 | Low | 62.1 | Low | 15 Ų | 15 | 98.3 Ų | 98.3 | 16% | 0.155 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -67.9 | -32.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T114 R120 V121 L122 | T114-G118 WeakPolarHBondContact O-CA 3.36Å; T114-G118 PolarHBondContact O-N 3.47Å; G118-R120 PolarHBondContact O-N 3.42Å; G118-V121 PolarHBondContact O-N 2.89Å; G118-L122 PolarHBondContact O-N 2.93Å; G118-L122 VanDerWaalsContact O-N 3.13Å |
| 119 | G | 56 | Low | 60 | Low | 56 Ų | 56 | 97.8 Ų | 97.8 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -16.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I115 | I115-G119 PolarHBondContact O-N 3.15Å |
| 120 | R | 51.2 | Low | 57.8 | Low | 208 Ų | 208 | 102 Ų | 102 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -98.6 | -37 | 172.6 | -71.7 | -172.7 | 171.7 | -138.1 | -5.8 | 113.2 | N117 G118 L123 | N117-R120 PolarHBondContact O-N 3.2Å; G118-R120 PolarHBondContact O-N 3.42Å; R120-L123 PolarHBondContact O-N 3.44Å |
| 121 | V | 47.3 | Very low | 56.3 | Low | 89 Ų | 89 | 105.9 Ų | 105.9 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -72 | -32.1 | -176.5 | 173 | 0 | 0 | 0 | 0 | 112.4 | N117 G118 L123 T124 | N117-V121 WeakPolarHBondContact O-CG2 3.39Å; N117-V121 PolarHBondContact O-N 3.1Å; G118-V121 PolarHBondContact O-N 2.89Å; V121-L123 VanDerWaalsContact C-N 3.26Å; V121-L123 PolarHBondContact O-N 3.24Å; V121-T124 PolarHBondContact O-N 3Å; V121-T124 PolarHBondContact O-OG1 3.4Å |
| 122 | L | 45.6 | Very low | 54.6 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 47% | 0.466 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -27.5 | 176.7 | -127.5 | 73.7 | 0 | 0 | 0 | 113.3 | G118 T146 | G118-L122 PolarHBondContact O-N 2.93Å; G118-L122 VanDerWaalsContact O-N 3.13Å; L122-T146 HydrophobicContact CD2-CG2 4.2Å |
| 123 | L | 48.7 | Very low | 52.5 | Low | 146 Ų | 146 | 114.5 Ų | 114.5 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -15.5 | -177.7 | -129.8 | 78.3 | 0 | 0 | 0 | 113.6 | R120 V121 | R120-L123 PolarHBondContact O-N 3.44Å; V121-L123 VanDerWaalsContact C-N 3.26Å; V121-L123 PolarHBondContact O-N 3.24Å |
| 124 | T | 45.4 | Very low | 51.2 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 59% | 0.589 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -96.7 | -2.7 | -174.9 | 46.9 | 0 | 0 | 0 | 0 | 114.8 | V121 | V121-T124 PolarHBondContact O-N 3Å; V121-T124 PolarHBondContact O-OG1 3.4Å |
| 125 | H | 45.5 | Very low | 49.7 | Very low | 168 Ų | 168 | 124.7 Ų | 124.7 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -110.6 | -9.7 | 174.3 | -79.7 | -8.2 | 0 | 0 | 0 | 114.5 | R127 | H125-R127 PolarHBondContact O-N 3.35Å; H125-R127 VanDerWaalsContact O-N 3.09Å |
| 126 | C | 46.4 | Very low | 48 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -81.4 | 68.8 | 155.2 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | F128 | C126-F128 VanDerWaalsContact C-N 3.32Å; C126-F128 PolarHBondContact O-N 3.42Å |
| 127 | R | 41.5 | Very low | 46.8 | Very low | 220 Ų | 220 | 127.9 Ų | 127.9 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | trans | -72 | 90.6 | 170.5 | -173.4 | -175.4 | -176.1 | 117.2 | 3.3 | 108.4 | H125 P129 | H125-R127 PolarHBondContact O-N 3.35Å; H125-R127 VanDerWaalsContact O-N 3.09Å; R127-P129 VanDerWaalsContact O-CD 3.32Å; R127-P129 WeakPolarHBondContact O-CD 3.46Å | ||
| 128 | F | 41.3 | Very low | 45.8 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 80% | 0.803 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120.7 | 154.7 | -79 | -88.5 | 0 | 0 | 0 | 107.1 | C126 | C126-F128 VanDerWaalsContact C-N 3.32Å; C126-F128 PolarHBondContact O-N 3.42Å |
| 129 | P | 40.5 | Very low | 45.1 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 132.1 | 163.8 | 2.2 | 14.1 | 0 | 0 | 0 | 107.4 | R127 | R127-P129 VanDerWaalsContact O-CD 3.32Å; R127-P129 WeakPolarHBondContact O-CD 3.46Å |
| 130 | D | 38.8 | Very low | 44.6 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 154.2 | 170.3 | -72.3 | -65.5 | 0 | 0 | 0 | 111.2 | I132 | D130-I132 PolarHBondContact O-N 3.3Š|
| 131 | A | 47.7 | Very low | 44.3 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -46.6 | 121.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 132 | I | 47.1 | Very low | 44.2 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | trans | 179.8 | 121.2 | 132.6 | -86.4 | 145.2 | 0 | 0 | 0 | 106.6 | D130 | D130-I132 PolarHBondContact O-N 3.3Š| ||
| 133 | G | 37.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | 112.8 | 99.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 134 | Y | 46.4 | Very low | 44.1 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 156.9 | 163.5 | -97.3 | -116.8 | 0 | 0 | 0 | 110.8 | ||||
| 135 | S | 41.8 | Very low | 44.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 90 | 62.8 | 163.8 | -46.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 136 | S | 37.7 | Very low | 45.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | -154.5 | 84.5 | 129.1 | -167 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 137 | I | 48 | Very low | 45.9 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -84.6 | 131.1 | 164.3 | -100.9 | 172 | 0 | 0 | 0 | 107 | ||||
| 138 | T | 45.4 | Very low | 47.1 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 63% | 0.632 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 77.4 | 141.4 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 118.9 | ||
| 139 | N | 47 | Very low | 48.3 | Very low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | trans | 73.3 | 89.4 | 163.5 | -47.4 | -58.3 | 0 | 0 | 0 | 118.7 | ||||
| 140 | E | 45.8 | Very low | 49.9 | Very low | 192 Ų | 192 | 123.9 Ų | 123.9 | 90% | 0.897 | 69% | 0.69 | S | S | * | * | trans | -176.6 | 90.1 | 130 | -101.6 | 157.3 | -172.1 | 0 | 0 | 113.5 | ||||
| 141 | C | 43.7 | Very low | 51.6 | Low | 99 Ų | 99 | 119.3 Ų | 119.3 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | trans | -140 | 101.7 | 151.7 | -89.9 | 0 | 0 | 0 | 0 | 106.8 | F143 | C141-F143 PolarHBondContact O-N 2.93Š| ||
| 142 | P | 47 | Very low | 53 | Low | 125 Ų | 125 | 116.4 Ų | 116.4 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -69.5 | -7.7 | -168.3 | 25.9 | -34.2 | 0 | 0 | 0 | 114.5 | ||
| 143 | F | 45.3 | Very low | 54.5 | Low | 179 Ų | 179 | 110 Ų | 110 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -137 | 111.2 | 165.5 | -70.5 | -83.7 | 0 | 0 | 0 | 108.6 | C141 P145 | C141-F143 PolarHBondContact O-N 2.93Å; F143-P145 WeakPolarHBondContact O-CD 3.37Å; F143-P145 WeakPolarHBondContact O-CG 3.35Å; F143-P145 VanDerWaalsContact O-N 3.16Å |
| 144 | D | 46.8 | Very low | 56.7 | Low | 99 Ų | 99 | 111.6 Ų | 111.6 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | trans | -70.8 | 103.4 | 179.8 | -168.4 | 3.6 | 0 | 0 | 0 | 110.4 | T146 R147 | D144-T146 PolarHBondContact O-N 2.9Å; D144-T146 PolarHBondContact OD1-OG1 3Å; D144-T146 PolarHBondContact OD2-OG1 3.31Å; D144-R147 PolarHBondContact O-N 3.43Å | ||
| 145 | P | 54.4 | Low | 58.5 | Low | 81 Ų | 81 | 101.8 Ų | 101.8 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.3 | -27.2 | -166.2 | -16.3 | 31.9 | 0 | 0 | 0 | 111.9 | F143 R147 V148 Y149 | F143-P145 WeakPolarHBondContact O-CD 3.37Å; F143-P145 WeakPolarHBondContact O-CG 3.35Å; F143-P145 VanDerWaalsContact O-N 3.16Å; P145-R147 VanDerWaalsContact C-N 3.25Å; P145-R147 PolarHBondContact O-N 3.41Å; P145-V148 PolarHBondContact O-N 3.33Å; P145-Y149 VanDerWaalsContact O-CB 3.3Å; P145-Y149 WeakPolarHBondContact O-CB 3.42Å; P145-Y149 PolarHBondContact O-N 3.22Å |
| 146 | T | 57.1 | Low | 60.5 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -53.2 | -41.4 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | L122 D144 S150 | L122-T146 HydrophobicContact CD2-CG2 4.2Å; D144-T146 PolarHBondContact O-N 2.9Å; D144-T146 PolarHBondContact OD1-OG1 3Å; D144-T146 PolarHBondContact OD2-OG1 3.31Å; T146-S150 WeakPolarHBondContact O-CB 3.4Å; T146-S150 PolarHBondContact O-N 3.46Å |
| 147 | R | 63 | Low | 62.9 | Low | 191 Ų | 191 | 94.5 Ų | 94.5 | 72% | 0.721 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.4 | -44.3 | -176.1 | -166.1 | 178.7 | -176 | -134.2 | 0.8 | 112 | D144 P145 T151 | D144-R147 PolarHBondContact O-N 3.43Å; P145-R147 VanDerWaalsContact C-N 3.25Å; P145-R147 PolarHBondContact O-N 3.41Å; R147-T151 WeakPolarHBondContact O-CG2 3.35Å; R147-T151 PolarHBondContact O-N 3.23Å; R147-T151 VanDerWaalsContact O-N 3.08Å; R147-T151 PolarHBondContact O-OG1 3.5Å |
| 148 | V | 66.3 | Low | 64.7 | Low | 65 Ų | 65 | 88.3 Ų | 88.3 | 39% | 0.394 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | P145 T151 T152 | P145-V148 PolarHBondContact O-N 3.33Å; V148-T151 PolarHBondContact O-OG1 2.93Å; V148-T152 WeakPolarHBondContact O-CB 3.36Å; V148-T152 PolarHBondContact O-N 3.39Å; V148-T152 PolarHBondContact O-OG1 3.46Å |
| 149 | Y | 67.1 | Low | 66.7 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 28% | 0.275 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 177.2 | -175.3 | -103.8 | 0 | 0 | 0 | 111.9 | T114 P145 T152 I153 | T114-Y149 HydrophobicContact CG2-CE2 3.62Å; T114-Y149 WeakPolarHBondContact CG2-OH 3.32Å; T114-Y149 PolarHBondContact O-OH 3.37Å; P145-Y149 VanDerWaalsContact O-CB 3.3Å; P145-Y149 WeakPolarHBondContact O-CB 3.42Å; P145-Y149 PolarHBondContact O-N 3.22Å; Y149-T152 PolarHBondContact O-N 2.92Å; Y149-I153 HydrophobicContact CD1-CD1 3.9Å; Y149-I153 HydrophobicContact CE1-CD1 3.36Å; Y149-I153 HydrophobicContact CE1-CG1 4.38Å; Y149-I153 HydrophobicContact CE2-CD1 4.43Å; Y149-I153 PolarHBondContact O-N 3.32Å |
| 150 | S | 73.2 | Confident | 68.7 | Low | 63 Ų | 63 | 77.9 Ų | 77.9 | 44% | 0.441 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | T146 T152 I153 I154 | T146-S150 WeakPolarHBondContact O-CB 3.4Å; T146-S150 PolarHBondContact O-N 3.46Å; S150-T152 VanDerWaalsContact C-N 3.33Å; S150-T152 PolarHBondContact O-N 2.9Å; S150-I153 PolarHBondContact O-N 3.31Å; S150-I154 VanDerWaalsContact O-CG1 3.3Å; S150-I154 WeakPolarHBondContact O-CG1 3.44Å; S150-I154 PolarHBondContact O-N 2.84Å |
| 151 | T | 76.1 | Confident | 70.8 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 176.1 | 55 | 0 | 0 | 0 | 0 | 112.2 | R147 V148 I154 L155 | R147-T151 WeakPolarHBondContact O-CG2 3.35Å; R147-T151 PolarHBondContact O-N 3.23Å; R147-T151 VanDerWaalsContact O-N 3.08Å; R147-T151 PolarHBondContact O-OG1 3.5Å; V148-T151 PolarHBondContact O-OG1 2.93Å; T151-I154 PolarHBondContact O-N 3.24Å; T151-L155 VanDerWaalsContact O-CG 3.29Å; T151-L155 WeakPolarHBondContact O-CG 3.36Å; T151-L155 PolarHBondContact O-N 2.82Å |
| 152 | T | 76 | Confident | 72.9 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.3 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | V148 Y149 S150 L155 W156 | V148-T152 WeakPolarHBondContact O-CB 3.36Å; V148-T152 PolarHBondContact O-N 3.39Å; V148-T152 PolarHBondContact O-OG1 3.46Å; Y149-T152 PolarHBondContact O-N 2.92Å; S150-T152 VanDerWaalsContact C-N 3.33Å; S150-T152 PolarHBondContact O-N 2.9Å; T152-L155 PolarHBondContact O-N 2.61Å; T152-W156 PolarHBondContact O-N 3.17Å |
| 153 | I | 79 | Confident | 74.9 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 174 | -75 | 178.4 | 0 | 0 | 0 | 111.1 | L111 Y149 S150 L155 W156 V157 | L111-I153 HydrophobicContact CD1-CG1 4.2Å; L111-I153 HydrophobicContact CD1-CG2 4.2Å; Y149-I153 HydrophobicContact CD1-CD1 3.9Å; Y149-I153 HydrophobicContact CE1-CD1 3.36Å; Y149-I153 HydrophobicContact CE1-CG1 4.38Å; Y149-I153 HydrophobicContact CE2-CD1 4.43Å; Y149-I153 PolarHBondContact O-N 3.32Å; S150-I153 PolarHBondContact O-N 3.31Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 2.88Å; I153-W156 PolarHBondContact O-N 3.34Å; I153-V157 HydrophobicContact CG2-CG2 4.25Å; I153-V157 WeakPolarHBondContact O-CG2 3.21Å; I153-V157 PolarHBondContact O-N 3.48Å |
| 154 | I | 84.1 | Confident | 77 | Confident | 107 Ų | 107 | 55.7 Ų | 55.7 | 55% | 0.549 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.9 | -67.6 | 162.9 | 0 | 0 | 0 | 110.7 | S150 T151 W156 V157 G158 | S150-I154 VanDerWaalsContact O-CG1 3.3Å; S150-I154 WeakPolarHBondContact O-CG1 3.44Å; S150-I154 PolarHBondContact O-N 2.84Å; T151-I154 PolarHBondContact O-N 3.24Å; I154-W156 VanDerWaalsContact C-N 3.34Å; I154-W156 PolarHBondContact O-N 3.46Å; I154-V157 PolarHBondContact O-N 3.25Å; I154-G158 PolarHBondContact O-N 2.88Å |
| 155 | L | 83.8 | Confident | 79 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 175.8 | -68.3 | 176.3 | 0 | 0 | 0 | 111.8 | M29 L32 V33 I36 T151 T152 I153 G158 L159 | M29-L155 HydrophobicContact CE-CB 4.19Å; M29-L155 HydrophobicContact CE-CD2 3.5Å; M29-L155 HydrophobicContact CE-CG 4.46Å; M29-L155 WeakPolarHBondContact CE-O 3.32Å; M29-L155 HydrophobicContact SD-CD2 3.78Å; L32-L155 HydrophobicContact CD2-CD1 4.08Å; L32-L155 HydrophobicContact CD2-CD2 3.76Å; L32-L155 HydrophobicContact CG-CD1 4.25Å; V33-L155 HydrophobicContact CG2-CB 3.77Å; V33-L155 HydrophobicContact CG2-CD1 4.03Å; V33-L155 HydrophobicContact CG2-CG 4.46Å; I36-L155 HydrophobicContact CD1-CD1 3.47Å; I36-L155 VanDerWaalsContact CD1-CD1 3.47Å; T151-L155 VanDerWaalsContact O-CG 3.29Å; T151-L155 WeakPolarHBondContact O-CG 3.36Å; T151-L155 PolarHBondContact O-N 2.82Å; T152-L155 PolarHBondContact O-N 2.61Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 2.88Å; L155-G158 PolarHBondContact O-N 3.48Å; L155-L159 VanDerWaalsContact O-CB 3.29Å; L155-L159 WeakPolarHBondContact O-CB 2.94Å; L155-L159 PolarHBondContact O-N 3.04Å |
| 156 | W | 84.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 178.9 | -76.2 | 27 | 0 | 0 | 0 | 112.9 | Y52 S110 L111 T152 I153 I154 L159 I160 | Y52-W156 HydrophobicContact CD1-CH2 4.01Å; Y52-W156 HydrophobicContact CE1-CH2 4.19Å; Y52-W156 HydrophobicContact CG-CH2 4.28Å; S110-W156 WeakPolarHBondContact OG-CH2 3.33Å; S110-W156 WeakPolarHBondContact OG-CZ3 3.45Å; L111-W156 HydrophobicContact CB-CE3 4.23Å; L111-W156 HydrophobicContact CD1-CE3 4.45Å; T152-W156 PolarHBondContact O-N 3.17Å; I153-W156 PolarHBondContact O-N 3.34Å; I154-W156 VanDerWaalsContact C-N 3.34Å; I154-W156 PolarHBondContact O-N 3.46Å; W156-L159 PolarHBondContact O-N 3.08Å; W156-I160 WeakPolarHBondContact O-CB 3.29Å; W156-I160 VanDerWaalsContact O-CG1 3.28Å; W156-I160 WeakPolarHBondContact O-CG1 3.43Å; W156-I160 PolarHBondContact O-N 2.93Å |
| 157 | V | 86.9 | Confident | 82.2 | Confident | 68 Ų | 68 | 50.3 Ų | 50.3 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | L111 I153 I154 L159 I160 V161 | L111-V157 HydrophobicContact CD2-CG2 3.84Å; I153-V157 HydrophobicContact CG2-CG2 4.25Å; I153-V157 WeakPolarHBondContact O-CG2 3.21Å; I153-V157 PolarHBondContact O-N 3.48Å; I154-V157 PolarHBondContact O-N 3.25Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 2.82Å; V157-I160 PolarHBondContact O-N 3.37Å; V157-V161 WeakPolarHBondContact O-CG2 3.3Å; V157-V161 PolarHBondContact O-N 3.3Å |
| 158 | G | 87.4 | Confident | 83.4 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.6 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I154 L155 V161 S162 | I154-G158 PolarHBondContact O-N 2.88Å; L155-G158 PolarHBondContact O-N 3.48Å; G158-V161 PolarHBondContact O-N 2.9Å; G158-S162 PolarHBondContact O-N 2.74Å; G158-S162 PolarHBondContact O-OG 3.47Å; G158-S162 VanDerWaalsContact O-OG 3.06Å |
| 159 | L | 86.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 179 | -161.9 | 61.8 | 0 | 0 | 0 | 112.8 | M29 T59 L107 L155 W156 V157 V161 S162 C163 | M29-L159 HydrophobicContact CB-CD1 3.86Å; T59-L159 HydrophobicContact CG2-CD1 3.53Å; T59-L159 HydrophobicContact CG2-CD2 3.89Å; T59-L159 HydrophobicContact CG2-CG 3.8Å; L107-L159 HydrophobicContact CD1-CB 4.42Å; L107-L159 HydrophobicContact CD1-CD2 3.72Å; L107-L159 HydrophobicContact CD1-CG 3.89Å; L107-L159 HydrophobicContact CD2-CD2 4.38Å; L155-L159 VanDerWaalsContact O-CB 3.29Å; L155-L159 WeakPolarHBondContact O-CB 2.94Å; L155-L159 PolarHBondContact O-N 3.04Å; W156-L159 PolarHBondContact O-N 3.08Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 2.82Å; L159-V161 VanDerWaalsContact C-N 3.35Å; L159-S162 WeakPolarHBondContact CA-OG 3.35Å; L159-S162 PolarHBondContact O-N 2.77Å; L159-S162 PolarHBondContact O-OG 3.45Å; L159-C163 VanDerWaalsContact O-CB 3.25Å; L159-C163 WeakPolarHBondContact O-CB 3.1Å; L159-C163 PolarHBondContact O-N 3.07Å; L159-C163 PolarHBondContact O-SG 3.12Å; L159-C163 VanDerWaalsContact O-SG 3.34Å |
| 160 | I | 88.6 | Confident | 85.2 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.1 | -72.4 | 164 | 0 | 0 | 0 | 110.5 | T104 L107 L111 W156 V157 S164 | T104-I160 HydrophobicContact CG2-CG2 4.21Å; L107-I160 HydrophobicContact CB-CD1 4.11Å; L107-I160 HydrophobicContact CB-CG1 3.72Å; L107-I160 HydrophobicContact CD1-CG1 4.48Å; L111-I160 HydrophobicContact CB-CD1 4.32Å; L111-I160 HydrophobicContact CD2-CD1 3.75Å; W156-I160 WeakPolarHBondContact O-CB 3.29Å; W156-I160 VanDerWaalsContact O-CG1 3.28Å; W156-I160 WeakPolarHBondContact O-CG1 3.43Å; W156-I160 PolarHBondContact O-N 2.93Å; V157-I160 PolarHBondContact O-N 3.37Å; I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 2.99Å; I160-S164 PolarHBondContact O-N 3.23Å; I160-S164 PolarHBondContact O-OG 3.13Å |
| 161 | V | 90.9 | Very high | 85.8 | Confident | 79 Ų | 79 | 40 Ų | 40 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -48 | 177 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | V157 G158 L159 S164 I165 | V157-V161 WeakPolarHBondContact O-CG2 3.3Å; V157-V161 PolarHBondContact O-N 3.3Å; G158-V161 PolarHBondContact O-N 2.9Å; L159-V161 VanDerWaalsContact C-N 3.35Å; V161-S164 WeakPolarHBondContact O-CB 3.27Å; V161-S164 PolarHBondContact O-N 2.81Å; V161-I165 HydrophobicContact CG1-CD1 3.86Å; V161-I165 VanDerWaalsContact O-CG1 3.3Å; V161-I165 WeakPolarHBondContact O-CG1 3.35Å; V161-I165 PolarHBondContact O-N 2.97Å |
| 162 | S | 87.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.8 | -30 | -178.7 | 60 | 0 | 0 | 0 | 0 | 113.5 | N26 G158 L159 Q166 | N26-S162 PolarHBondContact ND2-O 2.9Å; N26-S162 VanDerWaalsContact ND2-O 3.17Å; N26-S162 VanDerWaalsContact OD1-C 3.3Å; N26-S162 WeakPolarHBondContact OD1-CB 3.22Å; N26-S162 PolarHBondContact OD1-OG 3.19Å; G158-S162 PolarHBondContact O-N 2.74Å; G158-S162 PolarHBondContact O-OG 3.47Å; G158-S162 VanDerWaalsContact O-OG 3.06Å; L159-S162 WeakPolarHBondContact CA-OG 3.35Å; L159-S162 PolarHBondContact O-N 2.77Å; L159-S162 PolarHBondContact O-OG 3.45Å; S162-Q166 WeakPolarHBondContact O-CB 3.48Å; S162-Q166 PolarHBondContact O-N 3.38Å |
| 163 | C | 87.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 167.4 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | N26 T104 L159 Q166 M167 | N26-C163 PolarHBondContact OD1-N 3.44Å; T104-C163 WeakPolarHBondContact OG1-CB 3.49Å; L159-C163 VanDerWaalsContact O-CB 3.25Å; L159-C163 WeakPolarHBondContact O-CB 3.1Å; L159-C163 PolarHBondContact O-N 3.07Å; L159-C163 PolarHBondContact O-SG 3.12Å; L159-C163 VanDerWaalsContact O-SG 3.34Å; C163-Q166 PolarHBondContact O-N 3.05Å; C163-M167 WeakPolarHBondContact O-CB 3.48Å; C163-M167 PolarHBondContact O-N 3.09Å |
| 164 | S | 89.4 | Confident | 86.9 | Confident | 39 Ų | 39 | 38.3 Ų | 38.3 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | I160 V161 M167 V168 | I160-S164 VanDerWaalsContact O-CB 3.32Å; I160-S164 WeakPolarHBondContact O-CB 2.99Å; I160-S164 PolarHBondContact O-N 3.23Å; I160-S164 PolarHBondContact O-OG 3.13Å; V161-S164 WeakPolarHBondContact O-CB 3.27Å; V161-S164 PolarHBondContact O-N 2.81Å; S164-M167 PolarHBondContact O-N 3.33Å; S164-V168 WeakPolarHBondContact O-CG2 3.36Å; S164-V168 PolarHBondContact O-N 2.92Å |
| 165 | I | 89.6 | Confident | 86.9 | Confident | 70 Ų | 70 | 34.4 Ų | 34.4 | 36% | 0.359 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 174.4 | -67 | 165.4 | 0 | 0 | 0 | 110.4 | V22 V161 M167 V168 F169 | V22-I165 HydrophobicContact CG1-CB 4.45Å; V22-I165 HydrophobicContact CG1-CG2 4.11Å; V22-I165 HydrophobicContact CG2-CG2 3.83Å; V161-I165 HydrophobicContact CG1-CD1 3.86Å; V161-I165 VanDerWaalsContact O-CG1 3.3Å; V161-I165 WeakPolarHBondContact O-CG1 3.35Å; V161-I165 PolarHBondContact O-N 2.97Å; I165-M167 VanDerWaalsContact C-N 3.34Å; I165-M167 PolarHBondContact O-N 3.22Å; I165-V168 PolarHBondContact O-N 3.35Å; I165-F169 HydrophobicContact CG2-CD2 3.7Å; I165-F169 HydrophobicContact CG2-CE2 3.6Å; I165-F169 VanDerWaalsContact O-CD2 3.31Å; I165-F169 WeakPolarHBondContact O-CD2 3.46Å; I165-F169 PolarHBondContact O-N 3.01Å |
| 166 | Q | 88.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 176.1 | -178.2 | 62.6 | 52.9 | 0 | 0 | 112 | V22 S162 C163 F169 S170 | V22-Q166 HydrophobicContact CG1-CB 4.1Å; S162-Q166 WeakPolarHBondContact O-CB 3.48Å; S162-Q166 PolarHBondContact O-N 3.38Å; C163-Q166 PolarHBondContact O-N 3.05Å; Q166-F169 PolarHBondContact O-N 3.13Å; Q166-S170 PolarHBondContact NE2-OG 2.95Å; Q166-S170 VanDerWaalsContact NE2-OG 3.16Å; Q166-S170 WeakPolarHBondContact O-CB 3.42Å; Q166-S170 PolarHBondContact O-N 3.23Å; Q166-S170 PolarHBondContact O-OG 3.2Å |
| 167 | M | 88.9 | Confident | 86.7 | Confident | 64 Ų | 64 | 33.1 Ų | 33.1 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 177.1 | -179 | -178.5 | 63.8 | 0 | 0 | 111.6 | A100 C163 S164 I165 F169 S170 A171 | A100-M167 HydrophobicContact CB-CB 4.2Å; C163-M167 WeakPolarHBondContact O-CB 3.48Å; C163-M167 PolarHBondContact O-N 3.09Å; S164-M167 PolarHBondContact O-N 3.33Å; I165-M167 VanDerWaalsContact C-N 3.34Å; I165-M167 PolarHBondContact O-N 3.22Å; M167-F169 PolarHBondContact O-N 2.96Å; M167-S170 PolarHBondContact O-N 2.9Å; M167-A171 VanDerWaalsContact O-CB 3.25Å; M167-A171 WeakPolarHBondContact O-CB 3.42Å; M167-A171 PolarHBondContact O-N 3.45Å |
| 168 | V | 88.9 | Confident | 86.5 | Confident | 83 Ų | 83 | 31 Ų | 31 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | S164 I165 A171 R172 | S164-V168 WeakPolarHBondContact O-CG2 3.36Å; S164-V168 PolarHBondContact O-N 2.92Å; I165-V168 PolarHBondContact O-N 3.35Å; V168-A171 PolarHBondContact O-N 3.46Å; V168-R172 VanDerWaalsContact O-CG 3.29Å; V168-R172 WeakPolarHBondContact O-CG 3.32Å; V168-R172 PolarHBondContact O-N 2.85Å |
| 169 | F | 85.3 | Confident | 86.1 | Confident | 45 Ų | 45 | 32.6 Ų | 32.6 | 20% | 0.197 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 177.5 | -79 | -70 | 0 | 0 | 0 | 112.9 | M15 S18 V19 I165 Q166 M167 A171 R172 C173 | M15-F169 HydrophobicContact CB-CE1 4.49Å; M15-F169 HydrophobicContact CG-CE1 4.21Å; S18-F169 WeakPolarHBondContact OG-CZ 3.25Å; V19-F169 HydrophobicContact CG2-CB 3.38Å; V19-F169 HydrophobicContact CG2-CD1 4.01Å; V19-F169 HydrophobicContact CG2-CD2 4.25Å; V19-F169 HydrophobicContact CG2-CG 3.65Å; I165-F169 HydrophobicContact CG2-CD2 3.7Å; I165-F169 HydrophobicContact CG2-CE2 3.6Å; I165-F169 VanDerWaalsContact O-CD2 3.31Å; I165-F169 WeakPolarHBondContact O-CD2 3.46Å; I165-F169 PolarHBondContact O-N 3.01Å; Q166-F169 PolarHBondContact O-N 3.13Å; M167-F169 PolarHBondContact O-N 2.96Å; F169-A171 VanDerWaalsContact C-N 3.27Å; F169-A171 PolarHBondContact O-N 3.01Å; F169-R172 PolarHBondContact O-N 3.47Å; F169-R172 VanDerWaalsContact O-N 3.09Å; F169-C173 PolarHBondContact O-N 3.06Å; F169-C173 PolarHBondContact O-SG 3.16Å |
| 170 | S | 85 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.5 | -39.2 | 174.7 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | S96 Q166 M167 C173 L174 | S96-S170 PolarHBondContact OG-OG 3.41Å; Q166-S170 PolarHBondContact NE2-OG 2.95Å; Q166-S170 VanDerWaalsContact NE2-OG 3.16Å; Q166-S170 WeakPolarHBondContact O-CB 3.42Å; Q166-S170 PolarHBondContact O-N 3.23Å; Q166-S170 PolarHBondContact O-OG 3.2Å; M167-S170 PolarHBondContact O-N 2.9Å; S170-C173 PolarHBondContact O-N 2.92Å; S170-L174 WeakPolarHBondContact O-CB 3.3Å; S170-L174 VanDerWaalsContact O-CG 3.31Å; S170-L174 WeakPolarHBondContact O-CG 3.33Å; S170-L174 PolarHBondContact O-N 3.47Å |
| 171 | A | 86.8 | Confident | 85 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | M167 V168 F169 L174 A175 | M167-A171 VanDerWaalsContact O-CB 3.25Å; M167-A171 WeakPolarHBondContact O-CB 3.42Å; M167-A171 PolarHBondContact O-N 3.45Å; V168-A171 PolarHBondContact O-N 3.46Å; F169-A171 VanDerWaalsContact C-N 3.27Å; F169-A171 PolarHBondContact O-N 3.01Å; A171-L174 WeakPolarHBondContact O-CB 3.49Å; A171-L174 PolarHBondContact O-N 2.99Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 3.48Å |
| 172 | R | 86.6 | Confident | 84 | Confident | 77 Ų | 77 | 36.4 Ų | 36.4 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 172.9 | -68.9 | -68.4 | -171.7 | 153.5 | 9.6 | 111.8 | L6 V168 F169 A175 A176 | L6-R172 HydrophobicContact CD2-CB 4.21Å; V168-R172 VanDerWaalsContact O-CG 3.29Å; V168-R172 WeakPolarHBondContact O-CG 3.32Å; V168-R172 PolarHBondContact O-N 2.85Å; F169-R172 PolarHBondContact O-N 3.47Å; F169-R172 VanDerWaalsContact O-N 3.09Å; R172-A175 PolarHBondContact O-N 3.18Å; R172-A176 PolarHBondContact O-N 3.44Å |
| 173 | C | 83.2 | Confident | 83.2 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.3 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | L89 F169 S170 A176 C177 | L89-C173 HydrophobicContact CD2-CB 4.03Å; F169-C173 PolarHBondContact O-N 3.06Å; F169-C173 PolarHBondContact O-SG 3.16Å; S170-C173 PolarHBondContact O-N 2.92Å; C173-A176 PolarHBondContact O-N 2.98Å; C173-C177 WeakPolarHBondContact O-CB 3.32Å; C173-C177 PolarHBondContact O-N 2.69Å |
| 174 | L | 84 | Confident | 81.6 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 173.3 | -80.8 | 168.9 | 0 | 0 | 0 | 112.7 | F90 L94 S170 A171 A176 C177 A178 | F90-L174 HydrophobicContact CD2-CD2 3.7Å; F90-L174 HydrophobicContact CE2-CD2 3.79Å; F90-L174 HydrophobicContact CG-CD2 4.42Å; F90-L174 VanDerWaalsContact O-CD2 3.3Å; F90-L174 WeakPolarHBondContact O-CD2 3.29Å; L94-L174 HydrophobicContact CB-CD2 3.91Å; L94-L174 HydrophobicContact CD1-CD1 4.34Å; S170-L174 WeakPolarHBondContact O-CB 3.3Å; S170-L174 VanDerWaalsContact O-CG 3.31Å; S170-L174 WeakPolarHBondContact O-CG 3.33Å; S170-L174 PolarHBondContact O-N 3.47Å; A171-L174 WeakPolarHBondContact O-CB 3.49Å; A171-L174 PolarHBondContact O-N 2.99Å; L174-A176 PolarHBondContact O-N 2.86Å; L174-C177 PolarHBondContact O-N 3.47Å; L174-A178 VanDerWaalsContact O-CB 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.37Å; L174-A178 PolarHBondContact O-N 2.79Å |
| 175 | A | 84.9 | Confident | 79.9 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A171 R172 S179 | A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 3.48Å; R172-A175 PolarHBondContact O-N 3.18Å; A175-S179 WeakPolarHBondContact O-CB 3.19Å; A175-S179 PolarHBondContact O-N 3.27Å; A175-S179 PolarHBondContact O-OG 2.9Å |
| 176 | A | 81.8 | Confident | 77.8 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L6 R172 C173 L174 A178 S179 F180 | L6-A176 HydrophobicContact CB-CB 4.45Å; L6-A176 HydrophobicContact CD2-CB 3.96Å; R172-A176 PolarHBondContact O-N 3.44Å; C173-A176 PolarHBondContact O-N 2.98Å; L174-A176 PolarHBondContact O-N 2.86Å; A176-A178 PolarHBondContact O-N 3.19Å; A176-S179 WeakPolarHBondContact O-CB 3.33Å; A176-S179 PolarHBondContact O-N 2.96Å; A176-F180 HydrophobicContact CB-CE2 4.35Å; A176-F180 WeakPolarHBondContact O-CD2 3.38Å; A176-F180 PolarHBondContact O-N 3.4Å |
| 177 | C | 80.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.9 | -80.3 | 0 | 0 | 0 | 0 | 113.2 | T86 L89 F90 C173 L174 S179 F180 L181 | T86-C177 HydrophobicContact CG2-CB 4.16Å; L89-C177 VanDerWaalsContact CD2-SG 3.51Å; F90-C177 HydrophobicContact CB-CB 3.92Å; F90-C177 HydrophobicContact CD2-CB 3.95Å; F90-C177 HydrophobicContact CG-CB 4.41Å; C173-C177 WeakPolarHBondContact O-CB 3.32Å; C173-C177 PolarHBondContact O-N 2.69Å; L174-C177 PolarHBondContact O-N 3.47Å; C177-S179 VanDerWaalsContact C-N 3.26Å; C177-S179 PolarHBondContact O-N 2.9Å; C177-F180 PolarHBondContact O-N 3.45Å; C177-L181 WeakPolarHBondContact O-CB 3.49Å; C177-L181 WeakPolarHBondContact O-CD1 3.28Å; C177-L181 PolarHBondContact O-N 3.03Å |
| 178 | A | 82.7 | Confident | 73.6 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | F90 L174 A176 L181 G182 L183 | F90-A178 HydrophobicContact CE2-CB 4.15Å; L174-A178 VanDerWaalsContact O-CB 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.37Å; L174-A178 PolarHBondContact O-N 2.79Å; A176-A178 PolarHBondContact O-N 3.19Å; A178-L181 PolarHBondContact O-N 2.9Å; A178-G182 PolarHBondContact O-N 2.91Å; A178-L183 PolarHBondContact O-N 3.28Å; A178-L183 VanDerWaalsContact O-N 3.13Å |
| 179 | S | 79.9 | Confident | 71.5 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 174 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | A175 A176 C177 L181 G182 | A175-S179 WeakPolarHBondContact O-CB 3.19Å; A175-S179 PolarHBondContact O-N 3.27Å; A175-S179 PolarHBondContact O-OG 2.9Å; A176-S179 WeakPolarHBondContact O-CB 3.33Å; A176-S179 PolarHBondContact O-N 2.96Å; C177-S179 VanDerWaalsContact C-N 3.26Å; C177-S179 PolarHBondContact O-N 2.9Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.46Å; S179-G182 PolarHBondContact O-N 3.26Å |
| 180 | F | 74.8 | Confident | 69.4 | Low | 96 Ų | 96 | 65.3 Ų | 65.3 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -31.3 | 175.2 | -67.1 | -51.7 | 0 | 0 | 0 | 113.6 | T86 A176 C177 G182 | T86-F180 HydrophobicContact CG2-CB 3.92Å; T86-F180 HydrophobicContact CG2-CD2 4.39Å; A176-F180 HydrophobicContact CB-CE2 4.35Å; A176-F180 WeakPolarHBondContact O-CD2 3.38Å; A176-F180 PolarHBondContact O-N 3.4Å; C177-F180 PolarHBondContact O-N 3.45Å; F180-G182 VanDerWaalsContact C-N 3.35Å |
| 181 | L | 78.1 | Confident | 67.4 | Low | 48 Ų | 48 | 74.3 Ų | 74.3 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -80.2 | -13.4 | 173.4 | -91.4 | 62.4 | 0 | 0 | 0 | 113.1 | T86 W87 C177 A178 S179 L183 | T86-L181 HydrophobicContact CG2-CD1 3.41Å; T86-L181 VanDerWaalsContact CG2-CD1 3.41Å; W87-L181 HydrophobicContact CD2-CD2 3.95Å; W87-L181 HydrophobicContact CG-CD2 4.07Å; W87-L181 HydrophobicContact CZ2-CD2 4.17Å; C177-L181 WeakPolarHBondContact O-CB 3.49Å; C177-L181 WeakPolarHBondContact O-CD1 3.28Å; C177-L181 PolarHBondContact O-N 3.03Å; A178-L181 PolarHBondContact O-N 2.9Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.46Å; L181-L183 VanDerWaalsContact C-N 3.25Å; L181-L183 HydrophobicContact CB-CD1 3.84Å; L181-L183 HydrophobicContact CB-CG 4.17Å; L181-L183 HydrophobicContact CD2-CD1 3.8Å; L181-L183 HydrophobicContact CG-CD1 4.49Å; L181-L183 PolarHBondContact O-N 3.31Å |
| 182 | G | 70.1 | Confident | 65.3 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 38% | 0.381 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 18.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | A178 S179 F180 K188 | A178-G182 PolarHBondContact O-N 2.91Å; S179-G182 PolarHBondContact O-N 3.26Å; F180-G182 VanDerWaalsContact C-N 3.35Å; G182-K188 PolarHBondContact O-NZ 3.42Å |
| 183 | L | 70.1 | Confident | 63.1 | Low | 71 Ų | 71 | 84.7 Ų | 84.7 | 37% | 0.372 | 46% | 0.464 | S | S | . | . | trans | -59.5 | 153.7 | -177.6 | -85 | 154.5 | 0 | 0 | 0 | 111.6 | F90 A178 L181 G185 | F90-L183 HydrophobicContact CE1-CD1 4.38Å; F90-L183 HydrophobicContact CE2-CD1 4.49Å; F90-L183 HydrophobicContact CZ-CD1 4.12Å; A178-L183 PolarHBondContact O-N 3.28Å; A178-L183 VanDerWaalsContact O-N 3.13Å; L181-L183 VanDerWaalsContact C-N 3.25Å; L181-L183 HydrophobicContact CB-CD1 3.84Å; L181-L183 HydrophobicContact CB-CG 4.17Å; L181-L183 HydrophobicContact CD2-CD1 3.8Å; L181-L183 HydrophobicContact CG-CD1 4.49Å; L181-L183 PolarHBondContact O-N 3.31Å; L183-G185 PolarHBondContact O-N 3.41Å; L183-G185 VanDerWaalsContact O-N 3.14Å | ||
| 184 | P | 55.2 | Low | 61.1 | Low | 109 Ų | 109 | 93 Ų | 93 | 71% | 0.708 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.8 | -169.6 | -19.7 | 33.8 | 0 | 0 | 0 | 116.5 | C186 | P184-C186 VanDerWaalsContact C-N 3.28Å; P184-C186 PolarHBondContact O-N 2.88Å; P184-C186 VanDerWaalsContact O-N 3.15Å |
| 185 | G | 52 | Low | 59 | Low | 75 Ų | 75 | 97.5 Ų | 97.5 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 2.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | L183 | L183-G185 PolarHBondContact O-N 3.41Å; L183-G185 VanDerWaalsContact O-N 3.14Å |
| 186 | C | 46.9 | Very low | 56.9 | Low | 62 Ų | 62 | 107 Ų | 107 | 42% | 0.419 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -128.1 | 139.4 | 172.7 | -74.3 | 0 | 0 | 0 | 0 | 110 | P184 K188 | P184-C186 VanDerWaalsContact C-N 3.28Å; P184-C186 PolarHBondContact O-N 2.88Å; P184-C186 VanDerWaalsContact O-N 3.15Å; C186-K188 PolarHBondContact O-N 3.42Å |
| 187 | P | 44 | Very low | 54.9 | Low | 134 Ų | 134 | 112.7 Ų | 112.7 | 87% | 0.87 | 59% | 0.593 | S | S | * | * | trans | -61.7 | 110.6 | 172.9 | 25.3 | -32.3 | 0 | 0 | 0 | 109.2 | S189 | P187-S189 PolarHBondContact O-N 2.92Š| ||
| 188 | K | 44.7 | Very low | 53 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 49% | 0.491 | 63% | 0.632 | S | S | . | * | trans | -69.3 | 101.2 | -170.9 | -75.1 | 163.3 | 176.8 | 162.2 | 0 | 110.7 | G182 C186 R190 | G182-K188 PolarHBondContact O-NZ 3.42Å; C186-K188 PolarHBondContact O-N 3.42Å; K188-R190 PolarHBondContact O-N 3.41Å | ||
| 189 | S | 45.9 | Very low | 51 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 65% | 0.654 | S | S | * | * | trans | -57.2 | 136.3 | 153.5 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | P187 R191 | P187-S189 PolarHBondContact O-N 2.92Å; S189-R191 PolarHBondContact O-N 3.43Å | ||
| 190 | R | 41.5 | Very low | 49.4 | Very low | 235 Ų | 235 | 130.6 Ų | 130.6 | 89% | 0.887 | 67% | 0.669 | S | S | * | * | trans | -53.8 | 126.9 | -154 | -62.7 | 173.5 | -177.3 | -176.1 | 0.2 | 112.6 | K188 H192 | K188-R190 PolarHBondContact O-N 3.41Å; R190-H192 PolarHBondContact O-N 3.33Å | ||
| 191 | R | 42.9 | Very low | 47.9 | Very low | 190 Ų | 190 | 133 Ų | 133 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | -49.6 | 109.3 | 166 | -74.2 | 173.2 | 168.8 | 164.2 | -6.7 | 109.6 | S189 K193 | S189-R191 PolarHBondContact O-N 3.43Å; R191-K193 PolarHBondContact O-N 2.95Å | ||
| 192 | H | 42.1 | Very low | 46.2 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -75.7 | 76.2 | 166.4 | -155.5 | 12 | 0 | 0 | 0 | 108.8 | R190 K194 | R190-H192 PolarHBondContact O-N 3.33Å; H192-K194 PolarHBondContact O-N 3.3Å | ||
| 193 | K | 40.6 | Very low | 44.6 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 73% | 0.726 | 73% | 0.73 | S | S | * | * | trans | -60 | 103.7 | 161.3 | -90.9 | -172.3 | 172.3 | -173.6 | 0 | 106.4 | R191 T195 | R191-K193 PolarHBondContact O-N 2.95Å; K193-T195 PolarHBondContact O-N 2.97Å | ||
| 194 | K | 40.7 | Very low | 42.9 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -64.3 | 94.7 | 156.7 | -80.7 | -174.3 | 175 | -179.3 | 0 | 106.8 | H192 Y196 | H192-K194 PolarHBondContact O-N 3.3Å; K194-Y196 PolarHBondContact O-N 3.09Å | ||
| 195 | T | 40.6 | Very low | 41.9 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -57.9 | 117.7 | 165.9 | -53.2 | 0 | 0 | 0 | 0 | 106.8 | K193 T197 | K193-T195 PolarHBondContact O-N 2.97Å; T195-T197 PolarHBondContact O-N 3.27Å | ||
| 196 | Y | 39.6 | Very low | 41.1 | Very low | 224 Ų | 224 | 146.8 Ų | 146.8 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | trans | -63.9 | 105.4 | 164.5 | -95.3 | -99.2 | 0 | 0 | 0 | 106.8 | K194 R198 | K194-Y196 PolarHBondContact O-N 3.09Å; Y196-R198 VanDerWaalsContact C-N 3.29Å; Y196-R198 PolarHBondContact O-N 3.01Å | ||
| 197 | T | 41.1 | Very low | 40.4 | Very low | 129 Ų | 129 | 154 Ų | 154 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -64.8 | 95.2 | 170.6 | -55.4 | 0 | 0 | 0 | 0 | 107.8 | T195 P199 | T195-T197 PolarHBondContact O-N 3.27Å; T197-P199 VanDerWaalsContact O-CD 3.3Å; T197-P199 WeakPolarHBondContact O-CD 3.4Å | ||
| 198 | R | 39.8 | Very low | 39.7 | Very low | 217 Ų | 217 | 155.9 Ų | 155.9 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | trans | -60.6 | 115.4 | 169.4 | -179.8 | -177 | -172.7 | -179.9 | 2.7 | 107.3 | Y196 I200 | Y196-R198 VanDerWaalsContact C-N 3.29Å; Y196-R198 PolarHBondContact O-N 3.01Å; R198-I200 PolarHBondContact O-N 3.02Å | ||
| 199 | P | 40.6 | Very low | 38.9 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 121.9 | 170.4 | 26.3 | -31.7 | 0 | 0 | 0 | 107.9 | T197 N201 | T197-P199 VanDerWaalsContact O-CD 3.3Å; T197-P199 WeakPolarHBondContact O-CD 3.4Å; P199-N201 PolarHBondContact O-N 3.41Å; P199-N201 VanDerWaalsContact O-N 3.14Å | ||
| 200 | I | 46.6 | Very low | 38 | Very low | 147 Ų | 147 | 156 Ų | 156 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -75.6 | 101.4 | 172 | -63.6 | 174.3 | 0 | 0 | 0 | 106.1 | R198 V202 | R198-I200 PolarHBondContact O-N 3.02Å; I200-V202 HydrophobicContact CG2-CG2 4.27Å; I200-V202 PolarHBondContact O-N 3.39Å | ||
| 201 | N | 43 | Very low | 37.4 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 99.7 | 165.1 | -71.2 | -20.2 | 0 | 0 | 0 | 107.5 | P199 A203 | P199-N201 PolarHBondContact O-N 3.41Å; P199-N201 VanDerWaalsContact O-N 3.14Å; N201-A203 PolarHBondContact O-N 2.88Å; N201-A203 VanDerWaalsContact O-N 3.08Å | ||
| 202 | V | 41.7 | Very low | 37.1 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -67.4 | 106.7 | 169.8 | 176.4 | 0 | 0 | 0 | 0 | 107.3 | I200 K204 | I200-V202 HydrophobicContact CG2-CG2 4.27Å; I200-V202 PolarHBondContact O-N 3.39Å; V202-K204 PolarHBondContact O-N 3.08Å | ||
| 203 | A | 37.1 | Very low | 36.4 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 105.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | N201 S205 | N201-A203 PolarHBondContact O-N 2.88Å; N201-A203 VanDerWaalsContact O-N 3.08Å; A203-S205 PolarHBondContact O-N 3.23Å | ||
| 204 | K | 34.9 | Very low | 35.7 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 95.7 | 170.3 | -169.2 | 176 | -175.3 | -179.7 | 0 | 107.6 | V202 | V202-K204 PolarHBondContact O-N 3.08Š| ||
| 205 | S | 33.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -61.3 | 137.1 | 175.4 | -163.5 | 0 | 0 | 0 | 0 | 110 | A203 | A203-S205 PolarHBondContact O-N 3.23Š| ||
| 206 | A | 36.2 | Very low | 34.4 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 145.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 207 | K | 32.4 | Very low | 35 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | trans | -138.2 | 136 | 147.3 | -157.1 | 173.2 | -175.6 | -177.5 | 0 | 107.9 | ||||
| 208 | E | 28.9 | Very low | 35 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -106.4 | 164.7 | -160.3 | -156.3 | 175.9 | 173.4 | 0 | 0 | 111.4 | ||||
| 209 | T | 27.1 | Very low | 34.4 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | 71 | 119.3 | 161.9 | -46.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 210 | S | 28.3 | Very low | 33.7 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | cis | -168.5 | 159.8 | 38.2 | 36.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 211 | Q | 28.2 | Very low | 32.8 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -92.8 | 172.5 | 157.7 | -114.3 | -170.9 | -22.2 | 0 | 0 | 109.2 | ||||
| 212 | P | 37.6 | Very low | 32.2 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | cis | -147.7 | -171.7 | 33.9 | 36.7 | -12 | 0 | 0 | 0 | 118.5 | ||||
| 213 | H | 27.4 | Very low | 31.6 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 95.7 | 134.3 | 152.6 | -71.2 | -47.8 | 0 | 0 | 0 | 124.2 | ||||
| 214 | H | 25.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 0.6 | 152.3 | 157.9 | -54.3 | -66.8 | 0 | 0 | 0 | 120.8 | ||||
| 215 | T | 28 | Very low | 30.9 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | cis | -161.1 | 165 | 48.3 | -47.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 216 | E | 25.8 | Very low | 30.7 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -89.7 | -168.4 | 178.2 | -140.4 | -154.5 | 122.2 | 0 | 0 | 112.7 | ||||
| 217 | P | 51.4 | Low | 30.4 | Very low | 95 Ų | 95 | 152 Ų | 152 | 62% | 0.617 | 77% | 0.77 | S | S | * | * | -112.1 | -163.9 | -127.7 | 39.1 | -18.3 | 0 | 0 | 0 | 113.7 | |||||
| 218 | P | 41.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | -153.8 | 159 | 98 | 39.9 | -22.1 | 0 | 0 | 0 | 118.1 | |||||
| 219 | R | 27.4 | Very low | 30.4 | Very low | 227 Ų | 227 | 149 Ų | 149 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | 37.1 | 151.6 | 133.2 | -62.4 | 179.4 | 172.3 | 156.4 | -1.7 | 120.9 | ||||
| 220 | R | 25.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | cis | -175.5 | 142.8 | -8.6 | -108 | -113 | -122.6 | -141 | -1.6 | 105.3 | H222 | R220-H222 PolarHBondContact NH1-NE2 3.19Š| ||
| 221 | Q | 28.5 | Very low | 31.6 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -155.4 | 141.5 | 130.5 | -151.3 | 138.5 | 0.6 | 0 | 0 | 111.4 | ||||
| 222 | H | 29.3 | Very low | 32.1 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | -73.7 | 160.9 | 167.8 | -83.9 | -77.4 | 0 | 0 | 0 | 108.9 | R220 | R220-H222 PolarHBondContact NH1-NE2 3.19Š| ||
| 223 | D | 29.1 | Very low | 31.9 | Very low | 152 Ų | 152 | 153 Ų | 153 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | -156.3 | -170.4 | 56.5 | -140.9 | -25 | 0 | 0 | 0 | 116.6 | |||||
| 224 | T | 29.1 | Very low | 31.9 | Very low | 81 Ų | 81 | 152.3 Ų | 152.3 | 50% | 0.497 | 77% | 0.767 | S | S | . | * | trans | -130.3 | 132.1 | -138.3 | -45.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 225 | S | 28.5 | Very low | 32 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 175.4 | 102.7 | 140.3 | -82.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 226 | R | 29.7 | Very low | 32.2 | Very low | 208 Ų | 208 | 156.1 Ų | 156.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 60.8 | 96.5 | 77.6 | -76.2 | -166.5 | 169.7 | -164.6 | -1.3 | 115.3 | |||||
| 227 | V | 29.9 | Very low | 32.4 | Very low | 152 Ų | 152 | 154.6 Ų | 154.6 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | -129.8 | 128.8 | 126.2 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 228 | Y | 27.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 147.2 | 177.2 | -111.8 | -94.5 | 0 | 0 | 0 | 109.3 | ||||
| 229 | T | 34.1 | Very low | 31.4 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | -164.2 | 143.2 | 121.3 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 230 | E | 32.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | -82.9 | 170 | -169.8 | -108.5 | -163.5 | 102.4 | 0 | 0 | 115.8 | ||||
| 231 | P | 46.9 | Very low | 31.6 | Very low | 91 Ų | 91 | 156.7 Ų | 156.7 | 59% | 0.591 | 79% | 0.786 | S | S | * | * | trans | -102.6 | 171.7 | 178 | 41.1 | -33.9 | 0 | 0 | 0 | 114.1 | ||||
| 232 | P | 39.9 | Very low | 31.5 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -103.2 | 113.7 | 154.4 | 31.9 | -21.3 | 0 | 0 | 0 | 110.3 | ||||
| 233 | R | 31.6 | Very low | 31.6 | Very low | 231 Ų | 231 | 155.2 Ų | 155.2 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | 80 | 108.8 | 79.2 | -76.9 | -172.1 | -177.9 | -166 | 2.2 | 115.4 | |||||
| 234 | V | 28.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 157.1 Ų | 157.1 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -55.5 | 140 | 163.4 | 174 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 235 | R | 26.7 | Very low | 31.6 | Very low | 232 Ų | 232 | 160 Ų | 160 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | 175 | 144.8 | 103.5 | -154.8 | 164.3 | -166.4 | 164.2 | 3.1 | 114.6 | |||||
| 236 | N | 32 | Very low | 31.7 | Very low | 145 Ų | 145 | 160.9 Ų | 160.9 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -59.7 | 144.2 | 169.1 | -49 | -26.2 | 0 | 0 | 0 | 113 | ||||
| 237 | T | 29 | Very low | 31.6 | Very low | 144 Ų | 144 | 161.1 Ų | 161.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | -166.9 | 146.1 | 128.5 | 19.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 238 | S | 34.3 | Very low | 31.3 | Very low | 112 Ų | 112 | 158.8 Ų | 158.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 150.5 | 164.6 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 239 | P | 39.6 | Very low | 31.2 | Very low | 115 Ų | 115 | 159.8 Ų | 159.8 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -134.1 | 134.6 | 148.3 | 33.4 | -18.7 | 0 | 0 | 0 | 115.3 | ||||
| 240 | R | 29.3 | Very low | 31.1 | Very low | 222 Ų | 222 | 159.6 Ų | 159.6 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 26.5 | 129.3 | 144.6 | -80.2 | -179.1 | 168.8 | -171.5 | -2.9 | 121.8 | ||||
| 241 | R | 26.6 | Very low | 30.8 | Very low | 207 Ų | 207 | 161.9 Ų | 161.9 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | 26.6 | 120.9 | 128.1 | -85.8 | -167.9 | -89.8 | -158.5 | -7.2 | 118.4 | |||||
| 242 | H | 27.3 | Very low | 29.9 | Very low | 198 Ų | 198 | 166.5 Ų | 166.5 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | -140.1 | 160.3 | 116.8 | -112.7 | 64.3 | 0 | 0 | 0 | 111.7 | |||||
| 243 | T | 30.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 166.5 Ų | 166.5 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -115.7 | 129.4 | -175.4 | -56.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 244 | E | 28.6 | Very low | 29.4 | Very low | 192 Ų | 192 | 162 Ų | 162 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -138.7 | 138.3 | 158.1 | -80.4 | -160.5 | 108.7 | 0 | 0 | 112 | ||||
| 245 | Q | 29.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 164.8 Ų | 164.8 | 66% | 0.659 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 163.1 | 164.3 | -66.9 | -178.4 | -41 | 0 | 0 | 109.1 | ||
| 246 | P | 31.6 | Very low | 29.4 | Very low | 134 Ų | 134 | 164 Ų | 164 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -96 | 129.1 | 140.5 | -8.7 | 27.4 | 0 | 0 | 0 | 109.8 | ||
| 247 | R | 27.9 | Very low | 29.5 | Very low | 213 Ų | 213 | 162 Ų | 162 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 133.8 | 171.1 | -109.6 | -177 | 178.4 | 158.7 | -1.8 | 110.9 | ||
| 248 | C | 23.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 162 Ų | 162 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | trans | 25.2 | 136.3 | 146.2 | -49.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 249 | H | 24.3 | Very low | 29.9 | Very low | 202 Ų | 202 | 161.9 Ų | 161.9 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | -104.5 | 139.3 | 125.3 | -127.6 | -66.5 | 0 | 0 | 0 | 108.8 | |||||
| 250 | E | 32.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 162.2 Ų | 162.2 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | -121.3 | 126.1 | -172.1 | 177.2 | 179.9 | 163.3 | 0 | 0 | 108.9 | ||||
| 251 | E | 26.6 | Very low | 30.6 | Very low | 200 Ų | 200 | 163.9 Ų | 163.9 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -104.5 | 81.6 | 162.5 | -162.4 | 174.1 | 137 | 0 | 0 | 110.3 | ||||
| 252 | R | 28.6 | Very low | 30.7 | Very low | 188 Ų | 188 | 160.4 Ų | 160.4 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | trans | 5.4 | 114.8 | 145.1 | -167.7 | 178.2 | -141.8 | 159.5 | 5.6 | 117.7 | ||||
| 253 | S | 27.5 | Very low | 30.9 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -156.1 | 113.3 | 118.5 | -84.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 254 | Q | 32.8 | Very low | 30.9 | Very low | 137 Ų | 137 | 158.8 Ų | 158.8 | 64% | 0.64 | 79% | 0.788 | S | S | * | * | trans | -85.9 | 152.4 | 176 | -62.7 | 164.8 | -25.7 | 0 | 0 | 109.6 | ||||
| 255 | F | 29 | Very low | 31.2 | Very low | 198 Ų | 198 | 158.9 Ų | 158.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | -166.8 | 111.2 | 119.6 | -105.9 | -69.2 | 0 | 0 | 0 | 112.9 | |||||
| 256 | Y | 27.8 | Very low | 31.8 | Very low | 215 Ų | 215 | 157.8 Ų | 157.8 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 34 | 120.9 | 152 | -99.7 | -100.9 | 0 | 0 | 0 | 123.2 | ||||
| 257 | T | 33.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 156.3 Ų | 156.3 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | trans | -85.1 | 148.8 | 152.9 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 258 | N | 30.7 | Very low | 32 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | 153.2 | 172.5 | 87 | -104.5 | -33.4 | 0 | 0 | 0 | 108 | |||||
| 259 | P | 41.7 | Very low | 32.4 | Very low | 111 Ų | 111 | 161.2 Ų | 161.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -130.8 | -148.2 | -64.8 | 42.9 | -20.7 | 0 | 0 | 0 | 110 | |||||
| 260 | P | 51.5 | Low | 32.7 | Very low | 121 Ų | 121 | 159 Ų | 159 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -89.9 | 160.6 | -152.5 | 37.4 | -40 | 0 | 0 | 0 | 117.3 | ||||
| 261 | R | 31.3 | Very low | 32.7 | Very low | 258 Ų | 258 | 160.6 Ų | 160.6 | 97% | 0.974 | 78% | 0.784 | S | S | * | * | trans | -151.1 | 158.9 | 156.4 | -120.3 | 177.7 | -169.4 | -179.7 | 3.5 | 113.8 | ||||
| 262 | D | 29.3 | Very low | 33 | Very low | 134 Ų | 134 | 158.5 Ų | 158.5 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -114.4 | 167.7 | -164.3 | -164.8 | -5.1 | 0 | 0 | 0 | 112 | ||||
| 263 | H | 32.1 | Very low | 34 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 90.4 | 135.7 | 158.8 | -68.3 | -2.6 | 0 | 0 | 0 | 122.7 | ||||
| 264 | S | 29.8 | Very low | 35 | Very low | 123 Ų | 123 | 154.5 Ų | 154.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 97.9 | 120.3 | 147.7 | 73.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 265 | K | 34.8 | Very low | 34.9 | Very low | 194 Ų | 194 | 159.5 Ų | 159.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -90.4 | 167.6 | 162.7 | -57.7 | 179.7 | 175.2 | 179.2 | 0 | 109.2 | ||||
| 266 | P | 42 | Very low | 34.9 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | -146.5 | 142.2 | 89.4 | 34 | -15.6 | 0 | 0 | 0 | 117.6 | |||||
| 267 | T | 32.1 | Very low | 35.1 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | 21.3 | 127.9 | 137 | -36.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 268 | R | 31 | Very low | 35.1 | Very low | 252 Ų | 252 | 154.6 Ų | 154.6 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -145 | 148 | 131.6 | -75.3 | -156.4 | 178.3 | -172.1 | 0.4 | 112 | ||||
| 269 | H | 32.8 | Very low | 35.3 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | -107.6 | 141.1 | -174.9 | -71.2 | -102.9 | 0 | 0 | 0 | 113.7 | ||||
| 270 | H | 30.4 | Very low | 35.4 | Very low | 156 Ų | 156 | 156.5 Ų | 156.5 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -170.7 | 116.1 | 135.6 | -113.3 | 56.5 | 0 | 0 | 0 | 109.8 | ||||
| 271 | K | 32.6 | Very low | 34.3 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | 79.9 | 121.3 | 93.5 | -77.1 | -158.1 | -169.7 | 165.8 | 0 | 116 | |||||
| 272 | D | 31.7 | Very low | 34.3 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -81.7 | -164.9 | 172.4 | -48.4 | -80.2 | 0 | 0 | 0 | 113 | ||||
| 273 | P | 49.5 | Very low | 34.5 | Very low | 116 Ų | 116 | 157.6 Ų | 157.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | -123.1 | -141.7 | -74.7 | 39.5 | -20.2 | 0 | 0 | 0 | 109.5 | |||||
| 274 | P | 49.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 155.9 Ų | 155.9 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | cis | -133.4 | -150.5 | -19.8 | 42.5 | -22.6 | 0 | 0 | 0 | 113.4 | ||||
| 275 | R | 30.4 | Very low | 35 | Very low | 242 Ų | 242 | 156.6 Ų | 156.6 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | 74.9 | 148.7 | 171.5 | -87.1 | -178.9 | 177.6 | 176.9 | -0.3 | 116.3 | ||||
| 276 | S | 28.4 | Very low | 35 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 56% | 0.559 | 78% | 0.783 | S | S | * | * | cis | -154.1 | 153.7 | 5.9 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 277 | N | 31.1 | Very low | 35.2 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | -172 | 160.1 | 127.4 | -93.6 | -28.7 | 0 | 0 | 0 | 113.6 | |||||
| 278 | H | 33.5 | Very low | 35.7 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | trans | -85.1 | 157.2 | -151.6 | -78 | -92.9 | 0 | 0 | 0 | 118.5 | ||||
| 279 | K | 35.9 | Very low | 35.6 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -115.9 | 170.9 | 151.7 | -123.4 | -161.8 | 176.2 | -179.9 | 0 | 107.3 | ||||
| 280 | P | 43.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -149 | 169.7 | 38.8 | 40.3 | -18 | 0 | 0 | 0 | 120 | ||||
| 281 | S | 29.4 | Very low | 35.4 | Very low | 97 Ų | 97 | 150.3 Ų | 150.3 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | 29.2 | 141.9 | 146.3 | -57.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 282 | R | 29.9 | Very low | 35.2 | Very low | 255 Ų | 255 | 152.4 Ų | 152.4 | 96% | 0.962 | 79% | 0.79 | S | S | * | * | -153.5 | 161.2 | 125.4 | -105.6 | 164.8 | -157.9 | -170.3 | 5.6 | 112.6 | |||||
| 283 | H | 34 | Very low | 35.1 | Very low | 184 Ų | 184 | 152.8 Ų | 152.8 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -96.4 | 172.7 | -161.2 | -108.5 | -40.7 | 0 | 0 | 0 | 114.5 | ||||
| 284 | P | 38.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -86.8 | 167.8 | 179.9 | 37.7 | -35.9 | 0 | 0 | 0 | 113.5 | ||||
| 285 | T | 32.9 | Very low | 33.8 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -122.4 | 133.4 | -175.3 | -46.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 286 | A | 35.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -132.6 | 148.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 287 | P | 45.2 | Very low | 34 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -155 | -162.9 | 104.1 | 43 | -23.5 | 0 | 0 | 0 | 111.5 | |||||
| 288 | P | 43.6 | Very low | 34.3 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | cis | -127.7 | -172.2 | -4.3 | 40.9 | -22.8 | 0 | 0 | 0 | 115.8 | ||||
| 289 | R | 28.2 | Very low | 34.4 | Very low | 211 Ų | 211 | 152.5 Ų | 152.5 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 150.5 | -167.4 | -169.4 | -167.7 | -153 | -152.3 | 15.5 | 110.8 | E291 | R289-E291 IonicContact NH1-OE1 3.16Å; R289-E291 PolarHBondContact NH1-OE1 2.96Å; R289-E291 VanDerWaalsContact NH1-OE1 3.16Å | ||
| 290 | L | 30.6 | Very low | 34.8 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -124.8 | 144.5 | 163.4 | -150.7 | 79.5 | 0 | 0 | 0 | 110.5 | ||||
| 291 | E | 30 | Very low | 34.1 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -87.2 | 141.3 | -171.4 | -76.6 | -81.9 | 128 | 0 | 0 | 113.6 | R289 | R289-E291 IonicContact NH1-OE1 3.16Å; R289-E291 PolarHBondContact NH1-OE1 2.96Å; R289-E291 VanDerWaalsContact NH1-OE1 3.16Å | ||
| 292 | R | 27.8 | Very low | 34.3 | Very low | 217 Ų | 217 | 151.8 Ų | 151.8 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | 171.3 | 141.8 | 109.7 | -93 | -176.6 | -162.5 | -155.4 | 4.7 | 115.4 | |||||
| 293 | H | 28.3 | Very low | 34.2 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 115.5 | 146 | -76.6 | 55.6 | 0 | 0 | 0 | 121.3 | ||||
| 294 | S | 30 | Very low | 34 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -102 | 167.6 | 147.1 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 295 | P | 42.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -134.7 | 142.3 | 127.5 | 8.3 | 13.9 | 0 | 0 | 0 | 116.3 | |||||
| 296 | H | 28.5 | Very low | 33.7 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 59.9 | 119.1 | 144.9 | -60.2 | -62.6 | 0 | 0 | 0 | 124.4 | ||||
| 297 | R | 34.9 | Very low | 34.2 | Very low | 210 Ų | 210 | 148.8 Ų | 148.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -75.6 | 167 | 154.9 | -141.8 | -168.5 | -169.2 | -179.3 | 4.6 | 109.9 | ||||
| 298 | P | 36.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -147.3 | 159.9 | 78.9 | 32.7 | -11.7 | 0 | 0 | 0 | 117.7 | |||||
| 299 | L | 35.7 | Very low | 33 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | -99.6 | 168.4 | 156.1 | -131.5 | 83.1 | 0 | 0 | 0 | 107.2 | ||||
| 300 | P | 45.2 | Very low | 33.2 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -138.6 | -175.2 | 48.9 | 33.8 | -9.1 | 0 | 0 | 0 | 112.7 | ||||
| 301 | S | 28.4 | Very low | 33.5 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -167.1 | -176.8 | 51.8 | -163.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 302 | H | 33.2 | Very low | 34.2 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -111.5 | 151.2 | -154.5 | -168.8 | 58.3 | 0 | 0 | 0 | 112.9 | ||||
| 303 | N | 27.7 | Very low | 34.9 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -165.8 | 158.9 | 143 | -103 | -22.9 | 0 | 0 | 0 | 113.4 | ||||
| 304 | Q | 31.7 | Very low | 35.4 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | trans | -106 | 151.5 | -161.5 | -57.9 | 165.8 | -7.6 | 0 | 0 | 113.6 | ||||
| 305 | S | 30.4 | Very low | 35.9 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -171.8 | 157.2 | 137.7 | 13.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 306 | L | 35.1 | Very low | 35.9 | Very low | 169 Ų | 169 | 156 Ų | 156 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -101.2 | 178.7 | -176.7 | -96.6 | 157.5 | 0 | 0 | 0 | 111.1 | ||||
| 307 | P | 45.6 | Very low | 36.2 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -94.8 | 164.8 | -137.3 | 39.4 | -38.8 | 0 | 0 | 0 | 115.4 | ||||
| 308 | T | 30.6 | Very low | 36.3 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -113.9 | 131.7 | 171.5 | -38.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 309 | S | 32.6 | Very low | 36.4 | Very low | 107 Ų | 107 | 158.2 Ų | 158.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -82 | 136.1 | 172.4 | 157.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 310 | E | 32.5 | Very low | 36.6 | Very low | 194 Ų | 194 | 157.3 Ų | 157.3 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -138.1 | 151.3 | 156.9 | -134.7 | -165.5 | 138.1 | 0 | 0 | 113.3 | ||||
| 311 | R | 37.4 | Very low | 36.1 | Very low | 231 Ų | 231 | 159.4 Ų | 159.4 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -96 | 156.2 | -175.7 | -70.3 | 176.9 | 176.4 | 166.7 | -1.3 | 111.1 | ||||
| 312 | Q | 43.4 | Very low | 36.7 | Very low | 153 Ų | 153 | 157.2 Ų | 157.2 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | -56.1 | 163.2 | 177.2 | -138 | 173.1 | -7.2 | 0 | 0 | 114 | ||||
| 313 | P | 42.7 | Very low | 37.1 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -140.6 | 152.5 | 96.5 | 37.6 | -25 | 0 | 0 | 0 | 116.5 | R315 | P313-R315 PolarHBondContact O-N 3Š| |||
| 314 | L | 38.9 | Very low | 38.1 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -92 | 86.3 | -177.6 | -171 | 87.9 | 0 | 0 | 0 | 111 | ||||
| 315 | R | 40.8 | Very low | 38.7 | Very low | 236 Ų | 236 | 149.7 Ų | 149.7 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | -156.2 | 77.8 | 179.2 | -167.1 | -178.2 | -90.6 | -161.1 | -5.9 | 115.2 | P313 | P313-R315 PolarHBondContact O-N 3Š| ||
| 316 | E | 42.8 | Very low | 39.3 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -148.4 | -34.1 | 167.8 | -125.3 | 157 | -157.4 | 0 | 0 | 115.1 | H318 R319 | E316-H318 PolarHBondContact O-N 3.42Å; E316-R319 PolarHBondContact O-N 3.19Å |
| 317 | F | 34.4 | Very low | 39.8 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -60.7 | -15.2 | -172.1 | -156.5 | -97.7 | 0 | 0 | 0 | 116.9 | ||
| 318 | H | 36.1 | Very low | 39.9 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 75% | 0.75 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -93.5 | -17.6 | -173.7 | -162.2 | 50.3 | 0 | 0 | 0 | 114.8 | E316 S322 | E316-H318 PolarHBondContact O-N 3.42Å; H318-S322 PolarHBondContact O-OG 2.97Å |
| 319 | R | 39.2 | Very low | 40.3 | Very low | 209 Ų | 209 | 143.5 Ų | 143.5 | 79% | 0.789 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -78.4 | -47.1 | 176.8 | -82.3 | -177.4 | 170 | 163.5 | -5.1 | 111.8 | E316 W321 S322 D323 | E316-R319 PolarHBondContact O-N 3.19Å; R319-W321 VanDerWaalsContact C-N 3.3Å; R319-W321 PolarHBondContact O-N 3.35Å; R319-S322 WeakPolarHBondContact O-CB 3.17Å; R319-S322 PolarHBondContact O-N 3.13Å; R319-D323 PolarHBondContact O-N 3.24Å |
| 320 | D | 39.8 | Very low | 40.8 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -55.9 | -40.4 | -175.4 | -162.5 | 42.9 | 0 | 0 | 0 | 113.2 | S322 D323 V324 | D320-S322 VanDerWaalsContact C-N 3.28Å; D320-S322 PolarHBondContact O-N 3.34Å; D320-D323 PolarHBondContact O-N 2.93Å; D320-V324 WeakPolarHBondContact O-CG2 3.44Å; D320-V324 PolarHBondContact O-N 3.28Å; D320-V324 VanDerWaalsContact O-N 3.16Å |
| 321 | W | 34.5 | Very low | 41.3 | Very low | 159 Ų | 159 | 141 Ų | 141 | 60% | 0.602 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.8 | -35.4 | 176 | -170 | -83.9 | 0 | 0 | 0 | 113.3 | R319 E325 | R319-W321 VanDerWaalsContact C-N 3.3Å; R319-W321 PolarHBondContact O-N 3.35Å; W321-E325 PolarHBondContact NE1-OE2 3.3Å; W321-E325 PolarHBondContact O-N 2.99Å |
| 322 | S | 41.3 | Very low | 41.2 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 51% | 0.51 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.7 | -36.4 | -176.2 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | H318 R319 D320 G326 | H318-S322 PolarHBondContact O-OG 2.97Å; R319-S322 WeakPolarHBondContact O-CB 3.17Å; R319-S322 PolarHBondContact O-N 3.13Å; D320-S322 VanDerWaalsContact C-N 3.28Å; D320-S322 PolarHBondContact O-N 3.34Å; S322-G326 PolarHBondContact O-N 2.91Å; S322-G326 VanDerWaalsContact O-N 3.1Å |
| 323 | D | 42.1 | Very low | 41.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 60% | 0.599 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.8 | -35.1 | 177.6 | -73.2 | -48.3 | 0 | 0 | 0 | 112.1 | R319 D320 G326 Q327 | R319-D323 PolarHBondContact O-N 3.24Å; D320-D323 PolarHBondContact O-N 2.93Å; D323-G326 PolarHBondContact O-N 3.4Å; D323-Q327 WeakPolarHBondContact O-CG 3.3Å; D323-Q327 PolarHBondContact O-N 3.33Å |
| 324 | V | 47.7 | Very low | 41.5 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.3 | -47.1 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | D320 G326 Q327 E328 | D320-V324 WeakPolarHBondContact O-CG2 3.44Å; D320-V324 PolarHBondContact O-N 3.28Å; D320-V324 VanDerWaalsContact O-N 3.16Å; V324-G326 VanDerWaalsContact C-N 3.31Å; V324-G326 PolarHBondContact O-N 3.33Å; V324-Q327 PolarHBondContact O-N 2.91Å; V324-E328 PolarHBondContact O-N 3.48Å |
| 325 | E | 46 | Very low | 41.8 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.1 | -31.5 | -179.9 | -159.7 | 156 | 170.1 | 0 | 0 | 111.7 | W321 M329 | W321-E325 PolarHBondContact NE1-OE2 3.3Å; W321-E325 PolarHBondContact O-N 2.99Å; E325-M329 PolarHBondContact O-N 3.43Å; E325-M329 VanDerWaalsContact O-N 3.15Å |
| 326 | G | 43.1 | Very low | 41.9 | Very low | 33 Ų | 33 | 129.4 Ų | 129.4 | 34% | 0.34 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.9 | -37.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S322 D323 V324 R330 | S322-G326 PolarHBondContact O-N 2.91Å; S322-G326 VanDerWaalsContact O-N 3.1Å; D323-G326 PolarHBondContact O-N 3.4Å; V324-G326 VanDerWaalsContact C-N 3.31Å; V324-G326 PolarHBondContact O-N 3.33Å; G326-R330 WeakPolarHBondContact O-CG 3.37Å; G326-R330 PolarHBondContact O-N 2.91Å |
| 327 | Q | 45.5 | Very low | 42 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.1 | -40.6 | 173 | -76.8 | -171.5 | -7.1 | 0 | 0 | 112.3 | D323 V324 M329 R330 S331 | D323-Q327 WeakPolarHBondContact O-CG 3.3Å; D323-Q327 PolarHBondContact O-N 3.33Å; V324-Q327 PolarHBondContact O-N 2.91Å; Q327-M329 PolarHBondContact O-N 2.93Å; Q327-R330 PolarHBondContact O-N 3.35Å; Q327-S331 PolarHBondContact O-N 2.92Å |
| 328 | E | 46.4 | Very low | 42.8 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -42.7 | 178.5 | -157.8 | 172.7 | 153.5 | 0 | 0 | 110.7 | K113 V324 R330 S331 W332 | K113-E328 IonicContact NZ-OE1 3.82Å; V324-E328 PolarHBondContact O-N 3.48Å; E328-R330 PolarHBondContact O-N 3.45Å; E328-S331 PolarHBondContact O-N 3.36Å; E328-S331 PolarHBondContact O-OG 3.44Å; E328-W332 WeakPolarHBondContact O-CB 3.45Å; E328-W332 PolarHBondContact O-N 2.88Å |
| 329 | M | 40.2 | Very low | 43.2 | Very low | 142 Ų | 142 | 120.8 Ų | 120.8 | 70% | 0.7 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.3 | -38.4 | 173.1 | -79.2 | -115 | -132.9 | 0 | 0 | 114.3 | E325 Q327 S333 | E325-M329 PolarHBondContact O-N 3.43Å; E325-M329 VanDerWaalsContact O-N 3.15Å; Q327-M329 PolarHBondContact O-N 2.93Å; M329-S333 PolarHBondContact O-N 3.41Å; M329-S333 VanDerWaalsContact O-N 3.11Å; M329-S333 PolarHBondContact O-OG 2.89Å |
| 330 | R | 41.9 | Very low | 43.7 | Very low | 188 Ų | 188 | 116.1 Ų | 116.1 | 71% | 0.709 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.2 | -43.2 | 176 | -75.3 | -179.9 | -174.6 | 165.3 | 5.2 | 111.5 | G326 Q327 E328 W332 S333 Q334 | G326-R330 WeakPolarHBondContact O-CG 3.37Å; G326-R330 PolarHBondContact O-N 2.91Å; Q327-R330 PolarHBondContact O-N 3.35Å; E328-R330 PolarHBondContact O-N 3.45Å; R330-W332 VanDerWaalsContact C-N 3.33Å; R330-W332 PolarHBondContact O-N 3.47Å; R330-S333 PolarHBondContact O-N 3.35Å; R330-S333 PolarHBondContact O-OG 3Å; R330-Q334 WeakPolarHBondContact O-CB 3.28Å; R330-Q334 PolarHBondContact O-N 3.39Å |
| 331 | S | 44.2 | Very low | 43.9 | Very low | 62 Ų | 62 | 117.3 Ų | 117.3 | 43% | 0.434 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 176 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | Q327 E328 Q334 Q335 | Q327-S331 PolarHBondContact O-N 2.92Å; E328-S331 PolarHBondContact O-N 3.36Å; E328-S331 PolarHBondContact O-OG 3.44Å; S331-Q334 PolarHBondContact O-N 3.32Å; S331-Q335 VanDerWaalsContact O-CB 3.26Å; S331-Q335 WeakPolarHBondContact O-CB 3.23Å; S331-Q335 PolarHBondContact O-N 3.16Å |
| 332 | W | 33.9 | Very low | 44.4 | Very low | 165 Ų | 165 | 115.5 Ų | 115.5 | 63% | 0.625 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -40.8 | 179.9 | -170.1 | -88 | 0 | 0 | 0 | 113.2 | E328 R330 R336 | E328-W332 WeakPolarHBondContact O-CB 3.45Å; E328-W332 PolarHBondContact O-N 2.88Å; R330-W332 VanDerWaalsContact C-N 3.33Å; R330-W332 PolarHBondContact O-N 3.47Å; W332-R336 WeakPolarHBondContact O-CB 3.42Å; W332-R336 PolarHBondContact O-N 3.03Å |
| 333 | S | 47.4 | Very low | 44.6 | Very low | 75 Ų | 75 | 117.1 Ų | 117.1 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.8 | -41.2 | 176.4 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | M329 R330 R336 G337 | M329-S333 PolarHBondContact O-N 3.41Å; M329-S333 VanDerWaalsContact O-N 3.11Å; M329-S333 PolarHBondContact O-OG 2.89Å; R330-S333 PolarHBondContact O-N 3.35Å; R330-S333 PolarHBondContact O-OG 3Å; S333-R336 PolarHBondContact O-N 3.08Å; S333-G337 PolarHBondContact O-N 3.29Å |
| 334 | Q | 46 | Very low | 45 | Very low | 148 Ų | 148 | 117.7 Ų | 117.7 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 175.1 | -166.6 | 164.8 | -5.3 | 0 | 0 | 112 | R330 S331 R336 G337 Q338 | R330-Q334 WeakPolarHBondContact O-CB 3.28Å; R330-Q334 PolarHBondContact O-N 3.39Å; S331-Q334 PolarHBondContact O-N 3.32Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.04Å; Q334-G337 PolarHBondContact O-N 2.92Å; Q334-Q338 WeakPolarHBondContact O-CB 3.44Å; Q334-Q338 PolarHBondContact O-N 2.93Å |
| 335 | Q | 44.1 | Very low | 44.7 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.1 | -28.7 | 176 | -169.3 | 172.1 | 0.6 | 0 | 0 | 113 | S331 R339 | S331-Q335 VanDerWaalsContact O-CB 3.26Å; S331-Q335 WeakPolarHBondContact O-CB 3.23Å; S331-Q335 PolarHBondContact O-N 3.16Å; Q335-R339 PolarHBondContact O-N 3.28Å |
| 336 | R | 44 | Very low | 44.7 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.5 | -48.5 | 172 | -173.1 | 177.4 | -72.2 | 177.3 | -6 | 111.4 | W332 S333 Q334 Q338 R339 E340 | W332-R336 WeakPolarHBondContact O-CB 3.42Å; W332-R336 PolarHBondContact O-N 3.03Å; S333-R336 PolarHBondContact O-N 3.08Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.04Å; R336-Q338 VanDerWaalsContact C-N 3.32Å; R336-Q338 PolarHBondContact O-N 2.72Å; R336-R339 WeakPolarHBondContact O-CB 3.06Å; R336-R339 PolarHBondContact O-N 2.99Å; R336-R339 VanDerWaalsContact O-N 3.09Å; R336-E340 PolarHBondContact O-N 2.87Å; R336-E340 VanDerWaalsContact O-N 3.08Å |
| 337 | G | 45 | Very low | 44.5 | Very low | 31 Ų | 31 | 127.7 Ų | 127.7 | 32% | 0.32 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.9 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S333 Q334 R339 E340 H341 | S333-G337 PolarHBondContact O-N 3.29Å; Q334-G337 PolarHBondContact O-N 2.92Å; G337-R339 VanDerWaalsContact C-N 3.3Å; G337-R339 PolarHBondContact O-N 3.21Å; G337-E340 PolarHBondContact O-N 3.25Å; G337-H341 PolarHBondContact O-N 3.47Å; G337-H341 VanDerWaalsContact O-N 3.09Å |
| 338 | Q | 50.5 | Low | 44.3 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.9 | -32.6 | 175.6 | -142.8 | 176.1 | 13.2 | 0 | 0 | 112.5 | Q334 R336 H342 | Q334-Q338 WeakPolarHBondContact O-CB 3.44Å; Q334-Q338 PolarHBondContact O-N 2.93Å; R336-Q338 VanDerWaalsContact C-N 3.32Å; R336-Q338 PolarHBondContact O-N 2.72Å; Q338-H342 PolarHBondContact O-N 2.9Å |
| 339 | R | 43.6 | Very low | 44.1 | Very low | 184 Ų | 184 | 125.6 Ų | 125.6 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.7 | -40.9 | 174.3 | -117.4 | 179.7 | -174.5 | -179.7 | 2.4 | 112.6 | Q335 R336 G337 H342 N343 | Q335-R339 PolarHBondContact O-N 3.28Å; R336-R339 WeakPolarHBondContact O-CB 3.06Å; R336-R339 PolarHBondContact O-N 2.99Å; R336-R339 VanDerWaalsContact O-N 3.09Å; G337-R339 VanDerWaalsContact C-N 3.3Å; G337-R339 PolarHBondContact O-N 3.21Å; R339-H342 PolarHBondContact O-N 3.21Å; R339-N343 PolarHBondContact O-N 3.43Å; R339-N343 PolarHBondContact O-ND2 2.97Å |
| 340 | E | 49.3 | Very low | 44 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 52% | 0.519 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.9 | -43.3 | 179 | -73.2 | 171.5 | -170.7 | 0 | 0 | 111.3 | R336 G337 H342 N343 L344 | R336-E340 PolarHBondContact O-N 2.87Å; R336-E340 VanDerWaalsContact O-N 3.08Å; G337-E340 PolarHBondContact O-N 3.25Å; E340-H342 VanDerWaalsContact C-N 3.33Å; E340-H342 PolarHBondContact O-N 2.88Å; E340-N343 PolarHBondContact O-N 3.07Å; E340-L344 WeakPolarHBondContact O-CB 3.46Å; E340-L344 PolarHBondContact O-N 3.27Å |
| 341 | H | 44.6 | Very low | 43.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.3 | -36.9 | 171.7 | -90.7 | -82 | 0 | 0 | 0 | 113.5 | G337 R345 | G337-H341 PolarHBondContact O-N 3.47Å; G337-H341 VanDerWaalsContact O-N 3.09Å; H341-R345 WeakPolarHBondContact O-CB 3.32Å; H341-R345 PolarHBondContact O-N 3.09Å; H341-R345 VanDerWaalsContact O-N 3.08Å |
| 342 | H | 45.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 56% | 0.56 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.2 | -37.1 | 175.7 | -112.8 | 52.9 | 0 | 0 | 0 | 113 | Q338 R339 E340 R346 | Q338-H342 PolarHBondContact O-N 2.9Å; R339-H342 PolarHBondContact O-N 3.21Å; E340-H342 VanDerWaalsContact C-N 3.33Å; E340-H342 PolarHBondContact O-N 2.88Å; H342-R346 PolarHBondContact O-N 2.69Å |
| 343 | N | 45.2 | Very low | 44 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 57% | 0.572 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.2 | -40.1 | 177.3 | -72.1 | -19.4 | 0 | 0 | 0 | 111.9 | R339 E340 R345 R346 G347 | R339-N343 PolarHBondContact O-N 3.43Å; R339-N343 PolarHBondContact O-ND2 2.97Å; E340-N343 PolarHBondContact O-N 3.07Å; N343-R345 VanDerWaalsContact C-N 3.35Å; N343-R345 PolarHBondContact O-N 3.27Å; N343-R346 PolarHBondContact O-N 3.2Å; N343-G347 PolarHBondContact O-N 3.27Å |
| 344 | L | 49.9 | Very low | 43.6 | Very low | 123 Ų | 123 | 134 Ų | 134 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.7 | -37.5 | 174 | -79.1 | 163 | 0 | 0 | 0 | 112.5 | E340 R346 T348 | E340-L344 WeakPolarHBondContact O-CB 3.46Å; E340-L344 PolarHBondContact O-N 3.27Å; L344-R346 VanDerWaalsContact C-N 3.32Å; L344-R346 PolarHBondContact O-N 2.99Å; L344-T348 PolarHBondContact O-OG1 3.29Å; L344-T348 VanDerWaalsContact O-OG1 3.08Å |
| 345 | R | 42.8 | Very low | 43 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.8 | -21.6 | 176 | -165 | 176.1 | -175.4 | -151.5 | 1 | 113.5 | H341 N343 T348 | H341-R345 WeakPolarHBondContact O-CB 3.32Å; H341-R345 PolarHBondContact O-N 3.09Å; H341-R345 VanDerWaalsContact O-N 3.08Å; N343-R345 VanDerWaalsContact C-N 3.35Å; N343-R345 PolarHBondContact O-N 3.27Å; R345-T348 PolarHBondContact O-OG1 3.29Å |
| 346 | R | 44.7 | Very low | 42.6 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -87.8 | -35.3 | 175.4 | -160.1 | 175 | -70.8 | 177.7 | -4.9 | 112 | H342 N343 L344 T348 S349 | H342-R346 PolarHBondContact O-N 2.69Å; N343-R346 PolarHBondContact O-N 3.2Å; L344-R346 VanDerWaalsContact C-N 3.32Å; L344-R346 PolarHBondContact O-N 2.99Å; R346-T348 PolarHBondContact O-N 3.25Å; R346-S349 PolarHBondContact O-N 3.06Å |
| 347 | G | 39.4 | Very low | 42.6 | Very low | 55 Ų | 55 | 144.5 Ų | 144.5 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -9.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | N343 | N343-G347 PolarHBondContact O-N 3.27Š|
| 348 | T | 42.5 | Very low | 42.4 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -8.1 | 179.7 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | L344 R345 R346 | L344-T348 PolarHBondContact O-OG1 3.29Å; L344-T348 VanDerWaalsContact O-OG1 3.08Å; R345-T348 PolarHBondContact O-OG1 3.29Å; R346-T348 PolarHBondContact O-N 3.25Å |
| 349 | S | 40.6 | Very low | 42 | Very low | 97 Ų | 97 | 151 Ų | 151 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -22.7 | -179.6 | -158.7 | 0 | 0 | 0 | 0 | 114.1 | R346 R351 | R346-S349 PolarHBondContact O-N 3.06Å; S349-R351 PolarHBondContact O-N 3.16Å |
| 350 | D | 39.2 | Very low | 41.9 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -98.9 | 29.3 | -173.3 | -64 | -25.6 | 0 | 0 | 0 | 113.2 | ||
| 351 | R | 39.7 | Very low | 41.4 | Very low | 218 Ų | 218 | 151.4 Ų | 151.4 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -125.8 | 12.3 | -174.3 | -125.3 | -174.9 | -159 | -164.3 | 6.5 | 116.8 | S349 | S349-R351 PolarHBondContact O-N 3.16Š|
| 352 | F | 40.8 | Very low | 41.2 | Very low | 201 Ų | 201 | 152 Ų | 152 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -141.3 | 76.2 | 176.1 | -81.1 | -77.9 | 0 | 0 | 0 | 112.5 | ||
| 353 | S | 39.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -175.8 | 160.3 | 148.3 | 20.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 354 | V | 38.4 | Very low | 40.6 | Very low | 133 Ų | 133 | 157.8 Ų | 157.8 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 72.9 | 72.9 | -174.5 | -164.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 355 | W | 35.3 | Very low | 39.8 | Very low | 248 Ų | 248 | 160.8 Ų | 160.8 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | -158.4 | 140.4 | 128.8 | -100 | 96.7 | 0 | 0 | 0 | 108.1 | |||||
| 356 | I | 35.6 | Very low | 39.6 | Very low | 240 Ų | 240 | 157.2 Ų | 157.2 | 100% | 1.231 | 80% | 0.8 | S | S | * | * | trans | 75.2 | 0 | -166.6 | -48.9 | 174.8 | 0 | 0 | 0 | 112.5 |
Retrieved 356 of 356 residues in 261 ms
(Link to these results)